diff --git a/Exemple/Results Directory/.gitkeep b/Exemple/Results extraction merging/.gitkeep
similarity index 100%
rename from Exemple/Results Directory/.gitkeep
rename to Exemple/Results extraction merging/.gitkeep
diff --git a/Exemple/Results Directory/AA.pick b/Exemple/Results extraction merging/AA.pick
similarity index 100%
rename from Exemple/Results Directory/AA.pick
rename to Exemple/Results extraction merging/AA.pick
diff --git a/Exemple/Results Directory/LLNL.pick b/Exemple/Results extraction merging/LLNL.pick
similarity index 100%
rename from Exemple/Results Directory/LLNL.pick
rename to Exemple/Results extraction merging/LLNL.pick
diff --git a/Exemple/Results extraction merging/all_comparisons.log b/Exemple/Results extraction merging/all_comparisons.log
new file mode 100644
index 0000000000000000000000000000000000000000..98f84c953b325800e1c3d329bb675f6256ca0268
--- /dev/null
+++ b/Exemple/Results extraction merging/all_comparisons.log
@@ -0,0 +1,1084 @@
+{'ar': 1}
+AA : ar
+LLNL : ar
+
+{'he': 1}
+AA : he
+LLNL : he
+
+{'h': 1}
+AA : h
+LLNL : h
+
+{'h': 2}
+AA : h2
+LLNL : h2
+
+{'n': 2}
+AA : n2
+LLNL :
+
+{'o': 1}
+AA : o
+LLNL : o
+
+{'o': 1, 'h': 1}
+AA : oh oh*
+LLNL : oh
+
+{'o': 1, 'h': 2}
+AA : h2o
+LLNL : h2o
+
+{'o': 2}
+AA : o2
+LLNL : o2
+
+{'o': 2, 'h': 1}
+AA : ho2
+LLNL : ho2
+
+{'o': 2, 'h': 2}
+AA : h2o2
+LLNL : h2o2
+
+{'c': 1}
+AA : c
+LLNL : c
+
+{'c': 1, 'h': 1}
+AA : ch ch*
+LLNL : ch
+
+{'c': 1, 'h': 2}
+AA : ch2 ch2(s)
+LLNL : ch2 ch2(s)
+
+{'c': 1, 'h': 3}
+AA : ch3
+LLNL : ch3
+
+{'c': 1, 'h': 4}
+AA : ch4
+LLNL : ch4
+
+{'c': 1, 'o': 1}
+AA : co
+LLNL : co
+
+{'c': 1, 'o': 1, 'h': 1}
+AA : hco
+LLNL : hco
+
+{'c': 1, 'o': 1, 'h': 2}
+AA : ch2o hcoh
+LLNL : ch2o
+
+{'c': 1, 'o': 1, 'h': 3}
+AA : ch2oh ch3o
+LLNL : ch2oh ch3o
+
+{'c': 1, 'o': 1, 'h': 4}
+AA : ch3oh
+LLNL : ch3oh
+
+{'c': 1, 'o': 2}
+AA : co2
+LLNL : co2
+
+{'c': 1, 'o': 2, 'h': 1}
+AA : hoco ocho
+LLNL : ocho
+
+{'c': 1, 'o': 2, 'h': 2}
+AA : hocho
+LLNL : hocho
+
+{'c': 1, 'o': 2, 'h': 3}
+AA : hoch2o ch3o2 ch2o2h
+LLNL : hoch2o ch3o2 ch2o2h
+
+{'c': 1, 'o': 2, 'h': 4}
+AA : ch3o2h
+LLNL : ch3o2h
+
+{'c': 1, 'o': 3, 'h': 1}
+AA : o2cho
+LLNL : o2cho
+
+{'c': 1, 'o': 3, 'h': 2}
+AA : ho2cho
+LLNL : ho2cho
+
+{'c': 1, 'o': 3, 'h': 3}
+AA : hoch2o2 och2o2h
+LLNL : hoch2o2 och2o2h
+
+{'c': 1, 'o': 3, 'h': 4}
+AA : hoch2o2h
+LLNL : hoch2o2h
+
+{'c': 2, 'h': 1}
+AA : c2h
+LLNL : c2h
+
+{'c': 2, 'h': 2}
+AA : c2h2 h2cc
+LLNL : c2h2
+
+{'c': 2, 'h': 3}
+AA : c2h3
+LLNL : c2h3
+
+{'c': 2, 'h': 4}
+AA : c2h4
+LLNL : c2h4
+
+{'c': 2, 'h': 5}
+AA : c2h5
+LLNL : c2h5
+
+{'c': 2, 'h': 6}
+AA : c2h6
+LLNL : c2h6
+
+{'c': 2, 'o': 1, 'h': 1}
+AA : hcco
+LLNL : hcco
+
+{'c': 2, 'o': 1, 'h': 2}
+AA : ch2co hccoh
+LLNL : ch2co hccoh
+
+{'c': 2, 'o': 1, 'h': 3}
+AA : ch3co ch2cho c2h3o1-2 c2h2oh
+LLNL : ch3co ch2cho c2h3o1-2
+
+{'c': 2, 'o': 1, 'h': 4}
+AA : ch3cho c2h4o1-2 c2h3oh
+LLNL : ch3cho c2h4o1-2
+
+{'c': 2, 'o': 1, 'h': 5}
+AA : pc2h4oh sc2h4oh c2h5o ch3och2
+LLNL : pc2h4oh sc2h4oh c2h5o ch3och2
+
+{'c': 2, 'o': 1, 'h': 6}
+AA : c2h5oh ch3och3
+LLNL : c2h5oh ch3och3
+
+{'c': 2, 'o': 2, 'h': 1}
+AA :
+LLNL : hcocjxo
+
+{'c': 2, 'o': 2, 'h': 2}
+AA : chocho
+LLNL : hcohco
+
+{'c': 2, 'o': 2, 'h': 3}
+AA : ch3co2 ch3oco ch2ocho
+LLNL : ch3co2 ch3oco ch2ocho
+
+{'c': 2, 'o': 2, 'h': 4}
+AA : ch3ocho c2h3ooh
+LLNL : ch3ocho c2h3ooh
+
+{'c': 2, 'o': 2, 'h': 5}
+AA : c2h5o2 c2h4o2h ch3och2o
+LLNL : c2h5o2 c2h4o2h ch3och2o
+
+{'c': 2, 'o': 2, 'h': 6}
+AA : c2h5o2h
+LLNL : c2h5o2h
+
+{'c': 2, 'o': 3, 'h': 3}
+AA : ch3co3 och2ocho hoch2oco o2ch2cho ho2ch2co
+LLNL : ch3co3 och2ocho hoch2oco
+
+{'c': 2, 'o': 3, 'h': 4}
+AA : ch3co3h
+LLNL : ch3co3h
+
+{'c': 2, 'o': 3, 'h': 5}
+AA : o2c2h4oh ch3och2o2 ch2och2o2h
+LLNL : o2c2h4oh ch3och2o2 ch2och2o2h
+
+{'c': 2, 'o': 3, 'h': 6}
+AA : ch3och2o2h
+LLNL : ch3och2o2h
+
+{'c': 2, 'o': 4, 'h': 1}
+AA : o2cchooj
+LLNL : dhco2j
+
+{'c': 2, 'o': 4, 'h': 4}
+AA : ho2ch2ocho
+LLNL : ho2ch2ocho
+
+{'c': 2, 'o': 5, 'h': 5}
+AA : o2ch2och2o2h
+LLNL : o2ch2och2o2h
+
+{'c': 3, 'h': 2}
+AA : c3h2 c3h2(s)
+LLNL : c3h2
+
+{'c': 3, 'h': 3}
+AA : c3h3
+LLNL : c3h3
+
+{'c': 3, 'h': 4}
+AA : c3h4-a c3h4-p cc3h4
+LLNL : c3h4-a c3h4-p
+
+{'c': 3, 'h': 5}
+AA : c3h5-a c3h5-t c3h5-s
+LLNL : c3h5-a c3h5-t c3h5-s
+
+{'c': 3, 'h': 6}
+AA : c3h6
+LLNL : c3h6
+
+{'c': 3, 'h': 7}
+AA : nc3h7 ic3h7
+LLNL : nc3h7 ic3h7
+
+{'c': 3, 'h': 8}
+AA : c3h8
+LLNL : c3h8
+
+{'c': 3, 'o': 1, 'h': 3}
+AA : c2h3co cj*cc*o
+LLNL : c2h3co chchcho ch2ccho cjxccxo
+
+{'c': 3, 'o': 1, 'h': 4}
+AA : c2h3cho ch3chco
+LLNL : c2h3cho ch3chco
+
+{'c': 3, 'o': 1, 'h': 5}
+AA : ch3coch2 c2h5co ch2ch2cho c3h5o ch2cch2oh
+LLNL : ch3coch2 c2h5co ch2ch2cho ch3chcho c3h5o ch2cch2oh
+
+{'c': 3, 'o': 1, 'h': 6}
+AA : ch3coch3 c2h5cho c3h6o1-3 c3h6o1-2 ic3h5oh c3h5oh
+LLNL : ch3coch3 c2h5cho c3h6o1-3 c3h6o1-2 ic3h5oh c3h5oh
+
+{'c': 3, 'o': 1, 'h': 7}
+AA : nc3h7o ic3h7o c3h6oh tc3h6oh
+LLNL : nc3h7o ic3h7o c3h6oh tc3h6oh
+
+{'c': 3, 'o': 2, 'h': 3}
+AA : hoc*ccj*o
+LLNL : cxocjcxo
+
+{'c': 3, 'o': 2, 'h': 4}
+AA : hoc*cc*o
+LLNL : cxoccxo
+
+{'c': 3, 'o': 2, 'h': 5}
+AA :
+LLNL : ch3coch2o
+
+{'c': 3, 'o': 2, 'h': 6}
+AA : ac3h5ooh
+LLNL : ac3h5ooh
+
+{'c': 3, 'o': 2, 'h': 7}
+AA : c3h6ooh1-3 c3h6ooh1-2 c3h6ooh2-1 c3h6ooh2-2 nc3h7o2 ic3h7o2
+LLNL : c3h6ooh1-3 c3h6ooh1-2 c3h6ooh2-1 c3h6ooh2-2 nc3h7o2 ic3h7o2
+
+{'c': 3, 'o': 2, 'h': 8}
+AA : nc3h7o2h ic3h7o2h
+LLNL : nc3h7o2h ic3h7o2h
+
+{'c': 3, 'o': 3, 'h': 5}
+AA : ch3coch2o2
+LLNL : ch3coch2o2
+
+{'c': 3, 'o': 3, 'h': 6}
+AA : c3ket12 c3ket13 c3ket21
+LLNL : ch3coch2o2h c3ket12 c3ket13 c3ket21
+
+{'c': 3, 'o': 3, 'h': 7}
+AA : hoc3h6o2
+LLNL : hoc3h6o2
+
+{'c': 3, 'o': 4, 'h': 7}
+AA : c3h6ooh1-2o2 c3h6ooh1-3o2 c3h6ooh2-1o2 c3h51-2,3ooh c3h52-1,3ooh
+LLNL : c3h6ooh1-2o2 c3h6ooh1-3o2 c3h6ooh2-1o2 c3h51-2,3ooh c3h52-1,3ooh
+
+{'c': 4, 'h': 2}
+AA : c4h2
+LLNL : c4h2
+
+{'c': 4, 'h': 3}
+AA : c4h3-i c4h3-n
+LLNL : nc4h3
+
+{'c': 4, 'h': 4}
+AA : c4h4
+LLNL : c4h4
+
+{'c': 4, 'h': 5}
+AA : c4h5-n c4h5-i c4h5-2
+LLNL : c4h5 nc4h5
+
+{'c': 4, 'h': 6}
+AA : c4h6 c4h612 c4h6-2
+LLNL : c4h6 ch2cchch3
+
+{'c': 4, 'h': 7}
+AA : c4h71-1 c4h71-2 c4h71-3 c4h71-4 c4h72-2 ic4h7
+LLNL : c4h71-1 c4h71-2 c4h71-3 c4h71-4 c4h72-2 ic4h7 ic4h7-i1
+
+{'c': 4, 'h': 8}
+AA : c4h8-1 c4h8-2 ic4h8
+LLNL : c4h8-1 c4h8-2 ic4h8
+
+{'c': 4, 'h': 9}
+AA : pc4h9 sc4h9 ic4h9 tc4h9
+LLNL : pc4h9 sc4h9 ic4h9 tc4h9
+
+{'c': 4, 'h': 10}
+AA : c4h10 ic4h10
+LLNL : c4h10 ic4h10
+
+{'c': 4, 'o': 1, 'h': 2}
+AA : h2c4o
+LLNL :
+
+{'c': 4, 'o': 1, 'h': 3}
+AA :
+LLNL : cjxccxcxo
+
+{'c': 4, 'o': 1, 'h': 4}
+AA : c4h4o vk
+LLNL : cxccxcxo
+
+{'c': 4, 'o': 1, 'h': 5}
+AA : sc3h5co ic3h5co ch3chchco ch2chchcho c*ccjc*o
+LLNL : sc3h5co ic3h5co ac3h5co c2h3chcho cxcccjxo cxocxccj
+
+{'c': 4, 'o': 1, 'h': 6}
+AA : c2h3coch3 c2h5chco sc3h5cho ic3h5cho ic3h6co c4h6o25 c2h3choch2 c4h6o23 ch3chchcho
+LLNL : c2h3coch3 c2h5chco sc3h5cho ic3h5cho ic3h6co ac3h5cho
+
+{'c': 4, 'o': 1, 'h': 7}
+AA : c4h7o c2h5coch2 ch2ch2coch3 ch3chcoch3 nc3h7co c3h6cho-1 c3h6cho-2 c3h6cho-3 ic4h7o tc3h6cho ic3h6cho ic3h7co ic4h6oh
+LLNL : c4h7o c2h5coch2 ch2ch2coch3 ch3chcoch3 nc3h7co c3h6cho-1 c3h6cho-2 c3h6cho-3 ic4h7o tc3h6cho ic3h6cho ic3h7co ic4h6oh c4h7o1-4
+
+{'c': 4, 'o': 1, 'h': 8}
+AA : c4h8o1-2 c4h8o1-3 c4h8o1-4 c4h8o2-3 c2h5coch3 nc3h7cho ic4h8o cc4h8o ic3h7cho ic4h7oh
+LLNL : c4h8o1-2 c4h8o1-3 c4h8o1-4 c4h8o2-3 c2h5coch3 nc3h7cho ic4h8o cc4h8o ic3h7cho ic4h7oh
+
+{'c': 4, 'o': 1, 'h': 9}
+AA : pc4h9o sc4h9o pc4h8oh sc4h8oh tc4h9o ic4h9o ic4h8oh
+LLNL : pc4h9o sc4h9o pc4h8oh sc4h8oh tc4h9o ic4h9o ic4h8oh
+
+{'c': 4, 'o': 2, 'h': 3}
+AA :
+LLNL : oxccxccjxo
+
+{'c': 4, 'o': 2, 'h': 4}
+AA :
+LLNL : oxccxccxo
+
+{'c': 4, 'o': 2, 'h': 5}
+AA : oc4h5o
+LLNL : cxocccjxo cxccco2j
+
+{'c': 4, 'o': 2, 'h': 6}
+AA : oc4h6o
+LLNL : cxocccxo
+
+{'c': 4, 'o': 2, 'h': 7}
+AA : tc3h6ocho
+LLNL : tc3h6ocho
+
+{'c': 4, 'o': 2, 'h': 8}
+AA : ic4h7ooh tc3h6ohcho
+LLNL : ic4h7ooh tc3h6ohcho c4h7ooh1-4
+
+{'c': 4, 'o': 2, 'h': 9}
+AA : pc4h9o2 sc4h9o2 c4h8ooh1-1 c4h8ooh1-2 c4h8ooh1-3 c4h8ooh1-4 c4h8ooh2-1 c4h8ooh2-2 c4h8ooh2-3 c4h8ooh2-4 ic4h9o2 tc4h9o2 tc4h8o2h-i ic4h8o2h-i ic4h8o2h-t
+LLNL : pc4h9o2 sc4h9o2 c4h8ooh1-1 c4h8ooh1-2 c4h8ooh1-3 c4h8ooh1-4 c4h8ooh2-1 c4h8ooh2-2 c4h8ooh2-3 c4h8ooh2-4 ic4h9o2 tc4h9o2 tc4h8o2h-i ic4h8o2h-i ic4h8o2h-t
+
+{'c': 4, 'o': 2, 'h': 10}
+AA : pc4h9o2h sc4h9o2h ic4h9o2h tc4h9o2h
+LLNL : pc4h9o2h sc4h9o2h ic4h9o2h tc4h9o2h
+
+{'c': 4, 'o': 3, 'h': 7}
+AA : ch3choococh3 ch2choohcoch3 tc3h6o2cho tc3h6o2hco ic3h5o2hcho
+LLNL : ch3choococh3 ch2choohcoch3 tc3h6o2cho tc3h6o2hco ic3h5o2hcho
+
+{'c': 4, 'o': 3, 'h': 8}
+AA : nc4ket12 nc4ket13 nc4ket14 nc4ket21 nc4ket23 nc4ket24 ic4ketii ic4ketit
+LLNL : nc4ket12 nc4ket13 nc4ket14 nc4ket21 nc4ket23 nc4ket24 ic4ketii ic4ketit
+
+{'c': 4, 'o': 3, 'h': 9}
+AA : c4h8oh-1o2 c4h8oh-2o2 io2c4h8oh
+LLNL : c4h8oh-1o2 c4h8oh-2o2 io2c4h8oh
+
+{'c': 4, 'o': 4, 'h': 8}
+AA :
+LLNL : ic4h6q2-ii
+
+{'c': 4, 'o': 4, 'h': 9}
+AA : c4h8ooh1-2o2 c4h8ooh1-3o2 c4h8ooh1-4o2 c4h8ooh2-1o2 c4h8ooh2-3o2 c4h8ooh2-4o2 tc4h8ooh-io2 ic4h8ooh-io2 ic4h8ooh-to2 tic4h7q2-i iic4h7q2-i iic4h7q2-t
+LLNL : c4h8ooh1-2o2 c4h8ooh1-3o2 c4h8ooh1-4o2 c4h8ooh2-1o2 c4h8ooh2-3o2 c4h8ooh2-4o2 tc4h8ooh-io2 ic4h8ooh-io2 ic4h8ooh-to2 tic4h7q2-i iic4h7q2-i iic4h7q2-t
+
+{'c': 5, 'h': 5}
+AA : c5h5 c#cc*ccj
+LLNL : cy13pd5j cjcxcc#c
+
+{'c': 5, 'h': 6}
+AA : c5h6 c5h6-l
+LLNL : cy13pd
+
+{'c': 5, 'h': 7}
+AA : c*ccjc*c c5h7 c*cc*ccj
+LLNL : ic5h7 cxccxccj cyc5h7u1 cxccjcxc
+
+{'c': 5, 'h': 8}
+AA : c*cc*cc
+LLNL : c5h81-3 c5h81-4 ic5h8 cyc5h8 cxccxcc
+
+{'c': 5, 'h': 9}
+AA :
+LLNL : c5h91-3 c5h91-4 c5h91-5 c5h92-4 c5h92-5 c5h91-1 ac5h9-a1 ac5h9-a2 ac5h9-c ac5h9-d cc5h9-a cc5h9-b c5h91-2 cyc5h9
+
+{'c': 5, 'h': 10}
+AA :
+LLNL : c5h10-1 c5h10-2 ac5h10 bc5h10 cc5h10
+
+{'c': 5, 'h': 11}
+AA :
+LLNL : c5h11-1 c5h11-2 c5h11-3 ac5h11 bc5h11 cc5h11 dc5h11 neoc5h11
+
+{'c': 5, 'h': 12}
+AA :
+LLNL : nc5h12 ic5h12 neoc5h12
+
+{'c': 5, 'o': 1, 'h': 3}
+AA : c5h3o
+LLNL : cpdjone
+
+{'c': 5, 'o': 1, 'h': 4}
+AA : c5h4o
+LLNL : cypdone
+
+{'c': 5, 'o': 1, 'h': 5}
+AA : c5h5o c5h4oh cj*cc*cc*o c*cc*ccj*o
+LLNL : cyc5h5oj cyc5h4oh oxcjcxccxc oxccxccxcj
+
+{'c': 5, 'o': 1, 'h': 6}
+AA : c5h5oh
+LLNL : cyc5h5oh
+
+{'c': 5, 'o': 1, 'h': 7}
+AA : c*ccjc*coh
+LLNL : pc2h4coc2h3 sc2h4coc2h3 c4h7co1-4 c4h6cho1-43 c4h6cho1-44 c4h7co1-1 c4h6cho1-14 c4h6cho1-13 ic3h5coch2 ac3h4coch3 c4h7co2-1 c4h6cho2-11 ic5h7o ic4h7co ac3h4ch2cho ic3h5chcho c4h7co1-2 c4h6cho1-23 c4h6cho1-24 c4h7co2-2 c4h6cho2-21 c4h6cho2-24 ic3h6chco ac3h5chcho
+
+{'c': 5, 'o': 1, 'h': 8}
+AA : c*cc*ccoh
+LLNL : c2h5coc2h3 c4h7cho1-4 c4h7cho1-1 ic3h5coch3 c4h7cho2-1 ic4h7cho c4h7cho1-2 c4h7cho2-2 ic3h6chcho cxccxccoh cy3c5h8o
+
+{'c': 5, 'o': 1, 'h': 9}
+AA : tc4h8cho
+LLNL : tc4h8cho c5h9o1-3 c5h9o2-4 nc4h9co c4h8cho-1 c4h8cho-2 c4h8cho-3 c4h8cho-4 nc3h7coch2 c3h6coch3-1 c3h6coch3-2 c3h6coch3-3 c2h5coc2h4p c2h5coc2h4s c5h9o1-4 c5h9o1-5 ac5h9o-a2 ac5h9o-c cc5h9o-b nc4h9co-2 c4h8cho1-2 c4h8cho2-2 c4h8cho3-2 c4h8cho4-2 ic4h9co ic3h6ch2cho tc3h6ch2cho ic3h7chcho ic3h7coch2 ic3h6coch3 tc3h6coch3 tc4h9co
+
+{'c': 5, 'o': 1, 'h': 10}
+AA :
+LLNL : c5h10o1-2 c5h10o1-3 c5h10o1-4 c5h10o1-5 c5h10o2-3 c5h10o2-4 nc4h9cho nc3h7coch3 c2h5coc2h5 a-ac5h10o a-bc5h10o a-cc5h10o a-dc5h10o b-cc5h10o b-dc5h10o c-dc5h10o nc4h9cho-2 ic4h9cho ic3h7coch3 neo-c5h10o tc4h9cho
+
+{'c': 5, 'o': 1, 'h': 11}
+AA :
+LLNL : c5h11o-1 c5h11o-2 c5h11o-3 c5h10oh-1 c5h10oh-2 ac5h11o bc5h11o cc5h11o dc5h11o ac5h10oh bc5h10oh cc5h10oh neoc5h11o
+
+{'c': 5, 'o': 2, 'h': 5}
+AA :
+LLNL : oxccxccjcxo
+
+{'c': 5, 'o': 2, 'h': 6}
+AA :
+LLNL : cpdooh
+
+{'c': 5, 'o': 2, 'h': 7}
+AA : oc5h7o
+LLNL : cxocccjcxo
+
+{'c': 5, 'o': 2, 'h': 9}
+AA :
+LLNL : neoc5ketox neoc5kejol c5h91o2-3 c5h81ooh3-4 c5h81ooh3-5 c5h81ooh4-3 c5h81ooh4-5 c5h91o2-4 c5h91o2-5 c5h81ooh5-3 c5h81ooh5-4 c5h92o2-1 c5h92o2-4 c5h92o2-5 c5h82ooh4-5 c5h82ooh5-4
+
+{'c': 5, 'o': 2, 'h': 10}
+AA :
+LLNL : c5h9ooh1-4 c5h9ooh1-5
+
+{'c': 5, 'o': 2, 'h': 11}
+AA :
+LLNL : c5h11o2-1 c5h11o2-2 c5h11o2-3 c5h10ooh1-2 c5h10ooh1-3 c5h10ooh1-4 c5h10ooh1-5 c5h10ooh2-1 c5h10ooh2-3 c5h10ooh2-4 c5h10ooh2-5 c5h10ooh3-1 c5h10ooh3-2 ac5h11o2 bc5h11o2 cc5h11o2 dc5h11o2 ac5h10ooh-a ac5h10ooh-b ac5h10ooh-c ac5h10ooh-d bc5h10ooh-a bc5h10ooh-c bc5h10ooh-d cc5h10ooh-a cc5h10ooh-b cc5h10ooh-d dc5h10ooh-a dc5h10ooh-b dc5h10ooh-c neoc5h11o2 neoc5h10ooh
+
+{'c': 5, 'o': 2, 'h': 12}
+AA :
+LLNL : c5h11o2h-1 c5h11o2h-2 c5h11o2h-3 ac5h11o2h bc5h11o2h cc5h11o2h dc5h11o2h neoc5h11o2h
+
+{'c': 5, 'o': 3, 'h': 8}
+AA :
+LLNL : nc5d1ket53 nc5d1ket43 nc5d1ket35 nc5d1ket54 nc5d1ket45 nc5d1ket34 nc5d2ket45 nc5d2ket54
+
+{'c': 5, 'o': 3, 'h': 9}
+AA : o2c4h8cho o2hc4h8co
+LLNL : o2c4h8cho o2hc4h8co
+
+{'c': 5, 'o': 3, 'h': 10}
+AA :
+LLNL : nc5ket12 nc5ket13 nc5ket14 nc5ket15 nc5ket21 nc5ket23 nc5ket24 nc5ket25 nc5ket31 nc5ket32 ic5ketaa ic5ketab ic5ketac ic5ketad ic5ketca ic5ketcb ic5ketcd ic5ketda ic5ketdb ic5ketdc neoc5ket
+
+{'c': 5, 'o': 3, 'h': 11}
+AA :
+LLNL : o2c5h10oh-1 o2c5h10oh-2 ao2c5h10oh bo2c5h10oh co2c5h10oh
+
+{'c': 5, 'o': 4, 'h': 9}
+AA :
+LLNL : c5h81ooh5-4o2 c5h81ooh4-5o2 c5h81ooh3-4o2 c5h81ooh5-3o2 c5h81ooh4-3o2 c5h81ooh3-5o2 c5h82ooh4-5o2 c5h82ooh5-4o2
+
+{'c': 5, 'o': 4, 'h': 11}
+AA :
+LLNL : c5h10ooh1-2o2 c5h10ooh1-3o2 c5h10ooh1-4o2 c5h10ooh1-5o2 c5h10ooh2-1o2 c5h10ooh2-3o2 c5h10ooh2-4o2 c5h10ooh2-5o2 c5h10ooh3-1o2 c5h10ooh3-2o2 ac5h10ooh-ao2 ac5h10ooh-bo2 ac5h10ooh-co2 ac5h10ooh-do2 bc5h10ooh-ao2 bc5h10ooh-co2 bc5h10ooh-do2 cc5h10ooh-ao2 cc5h10ooh-bo2 cc5h10ooh-do2 dc5h10ooh-ao2 dc5h10ooh-bo2 dc5h10ooh-co2 neoc5h10ooh-o2 neoc5h9q2 neoc5h9q2-n
+
+{'c': 6, 'h': 2}
+AA : c6h2
+LLNL :
+
+{'c': 6, 'h': 3}
+AA : c6h3
+LLNL :
+
+{'c': 6, 'h': 4}
+AA : l-c6h4 c-c6h4 o-c6h4
+LLNL : c6h4
+
+{'c': 6, 'h': 5}
+AA : c6h5
+LLNL : c6h5 fulvenyl
+
+{'c': 6, 'h': 6}
+AA : c6h6 fulvene
+LLNL : c6h6 fulvene cxcc(c#c)xc
+
+{'c': 6, 'h': 7}
+AA :
+LLNL : ch2cy24pd cyc6h7 cpdjch3 linc6h7
+
+{'c': 6, 'h': 8}
+AA : c5h5ch3
+LLNL : ch3cy24pd
+
+{'c': 6, 'h': 9}
+AA :
+LLNL : acc6h9-a acc6h9-d
+
+{'c': 6, 'h': 10}
+AA :
+LLNL : c6h101-3 c6h101-4 c6h101-5 c6h102-4 acc6h10
+
+{'c': 6, 'h': 11}
+AA :
+LLNL : c6h111-3 c6h111-4 c6h111-5 c6h111-6 c6h112-4 c6h112-5 c6h112-6 c6h113-1 ac6h11-a2 ac6h11-c ac6h11-d ac6h11-e bc6h11-e cc6h11-a cc6h11-b dc6h11-a dc6h11-b dc6h11-c neoc6h11 cc6h11-d dc6h11-d
+
+{'c': 6, 'h': 12}
+AA :
+LLNL : c6h12-1 c6h12-2 c6h12-3 ac6h12 bc6h12 cc6h12 dc6h12 neoc6h12
+
+{'c': 6, 'h': 13}
+AA :
+LLNL : c6h13-1 c6h13-2 c6h13-3 ac6h13 bc6h13 cc6h13 dc6h13 ec6h13 fc6h13 gc6h13 hc6h13
+
+{'c': 6, 'h': 14}
+AA :
+LLNL : nc6h14 ic6h14 neoc6h14
+
+{'c': 6, 'o': 1, 'h': 5}
+AA : c6h5o c6h4oh
+LLNL : c6h4oh c6h5oj
+
+{'c': 6, 'o': 1, 'h': 6}
+AA : c6h5oh
+LLNL : c6h5oh
+
+{'c': 6, 'o': 1, 'h': 7}
+AA :
+LLNL : occxccxcjc
+
+{'c': 6, 'o': 1, 'h': 9}
+AA :
+LLNL : ac3h4coc2h5 ic3h5coc2h4p ic3h5coc2h4s ic4h7coch2 ic3h5chcoch3 ac3h4ch2coch3 ac3h5chcoch3 ic3h6chcoch2
+
+{'c': 6, 'o': 1, 'h': 10}
+AA :
+LLNL : etes1 mvox vthf edhf c2h3coc3h7 ic3h5coc2h5 ic4h7coch3 ic3h6chcoch3
+
+{'c': 6, 'o': 1, 'h': 11}
+AA :
+LLNL : c6h11o1-3 c6h11o2-4 nc5h11co c5h10cho-1 c5h10cho-2 c5h10cho-3 c5h10cho-4 c5h10cho-5 nc4h9coch2 c4h8coch3-1 c4h8coch3-2 c4h8coch3-3 c4h8coch3-4 c6h11o1-4 c6h11o1-5 c3h6coc2h5-1 c3h6coc2h5-2 c3h6coc2h5-3 nc3h7coc2h4p nc3h7coc2h4s ac6h11o-c cc6h11o-b dc6h11o-c ic5h11co ac5h10cho bc5h10cho cc5h10cho dc5h10cho nc5h11co-2 c5h10cho1-2 c5h10cho2-2 c5h10cho3-2 c5h10cho4-2 c5h10cho5-2 ic4h9coch2 ic3h6ch2coch3 ic3h7chcoch3 tc3h6ch2coch3 ic3h6coc2h5 tc3h6coc2h5 ic3h7coc2h4p ic3h7coc2h4s neoc5h11co tc4h9chcho tc4h8ch2cho ic5h11co-b ic5h10cho-ba ic5h10cho-bc ic5h10cho-bd tc4h9coch2 tc4h8coch3
+
+{'c': 6, 'o': 1, 'h': 12}
+AA :
+LLNL : c6h12o1-2 c6h12o1-3 c6h12o1-4 c6h12o1-5 c6h12o2-3 c6h12o2-4 c6h12o2-5 c6h12o3-4 nc5h11cho nc4h9coch3 nc3h7coc2h5 a-ac6h12o a-bc6h12o a-cc6h12o a-dc6h12o a-ec6h12o b-cc6h12o b-dc6h12o b-ec6h12o c-dc6h12o c-ec6h12o d-ec6h12o ic5h11cho nc5h11cho-2 ic4h9coch3 ic3h7coc2h5 f-fc6h12o f-gc6h12o f-hc6h12o g-hc6h12o neoc5h11cho ic5h11cho-b tc4h9coch3
+
+{'c': 6, 'o': 1, 'h': 13}
+AA :
+LLNL : c6h13o-1 c6h13o-2 c6h13o-3 c6h12oh-1 c6h12oh-2 c6h12oh-3 ac6h13o bc6h13o cc6h13o dc6h13o ec6h13o ac6h12oh bc6h12oh cc6h12oh dc6h12oh fc6h13o gc6h13o hc6h13o neoc6h12oh
+
+{'c': 6, 'o': 2, 'h': 3}
+AA : p-c6h3o2
+LLNL :
+
+{'c': 6, 'o': 2, 'h': 4}
+AA : p-c6h4o2 o-c6h4o2
+LLNL : oc6h4o
+
+{'c': 6, 'o': 2, 'h': 5}
+AA : c6h5oo oc6h4oh p-oc6h5oj o-oc6h5oj
+LLNL : c6h5o2 yoc6jdo rodc6jdo c6jyoo
+
+{'c': 6, 'o': 2, 'h': 6}
+AA : c6h5ooh
+LLNL :
+
+{'c': 6, 'o': 2, 'h': 11}
+AA :
+LLNL : c6h112o2-1 c6h111o2-3 c6h111o2-4 c6h111o2-5 c6h111o2-6 c6h112o2-4 c6h112o2-5 c6h112o2-6 c6h113o2-1 c6h113o2-2 c6h101ooh3-4 c6h101ooh3-5 c6h101ooh3-6 c6h101ooh4-3 c6h101ooh4-5 c6h101ooh4-6 c6h101ooh5-3 c6h101ooh5-4 c6h101ooh5-6 c6h101ooh6-3 c6h101ooh6-4 c6h101ooh6-5 c6h102ooh5-4 c6h103ooh1-2 c6h102ooh4-5 c6h102ooh4-6 c6h102ooh5-6 c6h102ooh6-4 c6h102ooh6-5 c6h103ooh2-1
+
+{'c': 6, 'o': 2, 'h': 12}
+AA :
+LLNL : c6h11ooh1-4 c6h11ooh1-5 c6h111o2h-4 c6h111o2h-5 c6h111o2h-6 c6h112o2h-4 c6h112o2h-5 c6h112o2h-6 c6h113o2h-2 c6h113o2h-1
+
+{'c': 6, 'o': 2, 'h': 13}
+AA :
+LLNL : c6h13o2-1 c6h13o2-2 c6h13o2-3 c6h12ooh1-2 c6h12ooh1-3 c6h12ooh1-4 c6h12ooh1-5 c6h12ooh2-1 c6h12ooh2-3 c6h12ooh2-4 c6h12ooh2-5 c6h12ooh2-6 c6h12ooh3-1 c6h12ooh3-2 c6h12ooh3-4 c6h12ooh3-5 c6h12ooh3-6 ac6h13o2 bc6h13o2 cc6h13o2 dc6h13o2 ec6h13o2 ac6h12ooh-a ac6h12ooh-b ac6h12ooh-c ac6h12ooh-d ac6h12ooh-e bc6h12ooh-a bc6h12ooh-c bc6h12ooh-d bc6h12ooh-e cc6h12ooh-a cc6h12ooh-b cc6h12ooh-d cc6h12ooh-e dc6h12ooh-a dc6h12ooh-b dc6h12ooh-c dc6h12ooh-e ec6h12ooh-a ec6h12ooh-b ec6h12ooh-c ec6h12ooh-d fc6h13o2 gc6h13o2 hc6h13o2 fc6h12ooh-f fc6h12ooh-g fc6h12ooh-h gc6h12ooh-f gc6h12ooh-h hc6h12ooh-f hc6h12ooh-g
+
+{'c': 6, 'o': 2, 'h': 14}
+AA :
+LLNL : c6h13o2h-1 c6h13o2h-2 c6h13o2h-3 ac6h13o2h bc6h13o2h cc6h13o2h dc6h13o2h ec6h13o2h fc6h13o2h gc6h13o2h hc6h13o2h
+
+{'c': 6, 'o': 3, 'h': 10}
+AA :
+LLNL : nc6d1ket34 nc6d1ket35 nc6d1ket36 nc6d1ket43 nc6d1ket45 nc6d1ket46 nc6d1ket53 nc6d1ket54 nc6d1ket56 nc6d1ket63 nc6d1ket64 nc6d1ket65 nc6d2ket45 nc6d2ket46 nc6d2ket54 nc6d2ket56 nc6d2ket64 nc6d2ket65 nc6d3ket21 nc6d3ket12
+
+{'c': 6, 'o': 3, 'h': 12}
+AA :
+LLNL : nc6ket12 nc6ket13 nc6ket14 nc6ket15 nc6ket21 nc6ket23 nc6ket24 nc6ket25 nc6ket26 nc6ket31 nc6ket32 nc6ket34 nc6ket35 nc6ket36 ic6ketaa ic6ketab ic6ketac ic6ketad ic6ketae ic6ketca ic6ketcb ic6ketcd ic6ketce ic6ketda ic6ketdb ic6ketdc ic6ketde ic6ketea ic6keteb ic6ketec ic6keted neoc6ketff neoc6ketfg neoc6ketfh neoc6ketgf neoc6ketgh neoc6kethf neoc6kethg
+
+{'c': 6, 'o': 3, 'h': 13}
+AA :
+LLNL : o2c6h12oh-1 o2c6h12oh-2 o2c6h12oh-3 ao2c6h12oh bo2c6h12oh co2c6h12oh do2c6h12oh neoo2c6h12oh
+
+{'c': 6, 'o': 4, 'h': 11}
+AA :
+LLNL : c6h101ooh3-4o2 c6h101ooh3-5o2 c6h101ooh3-6o2 c6h101ooh4-3o2 c6h101ooh4-5o2 c6h101ooh4-6o2 c6h101ooh5-3o2 c6h101ooh5-4o2 c6h101ooh5-6o2 c6h101ooh6-3o2 c6h101ooh6-4o2 c6h101ooh6-5o2 c6h102ooh4-5o2 c6h102ooh4-6o2 c6h102ooh5-4o2 c6h102ooh5-6o2 c6h102ooh6-4o2 c6h102ooh6-5o2 c6h103ooh2-1o2 c6h103ooh1-2o2
+
+{'c': 6, 'o': 4, 'h': 13}
+AA :
+LLNL : c6h12ooh1-2o2 c6h12ooh1-3o2 c6h12ooh1-4o2 c6h12ooh1-5o2 c6h12ooh2-1o2 c6h12ooh2-3o2 c6h12ooh2-4o2 c6h12ooh2-5o2 c6h12ooh2-6o2 c6h12ooh3-1o2 c6h12ooh3-2o2 c6h12ooh3-4o2 c6h12ooh3-5o2 c6h12ooh3-6o2 ac6h12ooh-ao2 ac6h12ooh-bo2 ac6h12ooh-co2 ac6h12ooh-do2 ac6h12ooh-eo2 bc6h12ooh-ao2 bc6h12ooh-co2 bc6h12ooh-do2 bc6h12ooh-eo2 cc6h12ooh-ao2 cc6h12ooh-bo2 cc6h12ooh-do2 cc6h12ooh-eo2 dc6h12ooh-ao2 dc6h12ooh-bo2 dc6h12ooh-co2 dc6h12ooh-eo2 ec6h12ooh-ao2 ec6h12ooh-bo2 ec6h12ooh-co2 ec6h12ooh-do2 fc6h12ooh-fo2 fc6h12ooh-go2 fc6h12ooh-ho2 gc6h12ooh-fo2 gc6h12ooh-ho2 hc6h12ooh-fo2 hc6h12ooh-go2
+
+{'c': 7, 'h': 6}
+AA :
+LLNL : c7h6
+
+{'c': 7, 'h': 7}
+AA : c6h5ch2 c6h4ch3
+LLNL : c6h5ch2j c6h4ch3
+
+{'c': 7, 'h': 8}
+AA : c6h5ch3
+LLNL : c6h5ch3 cpdcxc
+
+{'c': 7, 'h': 13}
+AA :
+LLNL : c7h131-3 c7h131-4 c7h131-5 c7h131-6 c7h131-7 c7h132-4 c7h132-5 c7h132-6 c7h132-7 c7h133-1 c7h133-5 c7h133-6 c7h133-7 xc7h13-x1 xc7h13-z xc7h13-x2 xc7h13-y2 yc7h13-y2 yc7h13-x2 oc7h13-n pc7h13-n pc7h13-o
+
+{'c': 7, 'h': 14}
+AA :
+LLNL : c7h14-1 c7h14-2 c7h14-3 xc7h14 yc7h14 oc7h14 pc7h14
+
+{'c': 7, 'h': 15}
+AA :
+LLNL : c7h15-1 c7h15-2 c7h15-3 c7h15-4 xc7h15 yc7h15 zc7h15 nc7h15 oc7h15 pc7h15 qc7h15
+
+{'c': 7, 'h': 16}
+AA :
+LLNL : nc7h16 c7h16-24 neoc7h16
+
+{'c': 7, 'o': 1, 'h': 5}
+AA : c6h5co
+LLNL : c6h5cjo
+
+{'c': 7, 'o': 1, 'h': 6}
+AA : c6h5cho
+LLNL : c6h5cho oc6h4ch2
+
+{'c': 7, 'o': 1, 'h': 7}
+AA : c6h5ch2o oc6h4ch3 hoc6h4ch2 c6h5choh
+LLNL : c6h5ch2oj c6h5choh oc6h4ch3 hoc6h4ch2
+
+{'c': 7, 'o': 1, 'h': 8}
+AA : c6h5ch2oh hoc6h4ch3
+LLNL : c6h5ch2oh hoc6h4ch3
+
+{'c': 7, 'o': 1, 'h': 13}
+AA :
+LLNL : c7h13o1-3 c7h13o2-4 c7h13o3-5 xc7h13o-z yc7h13o-y2 pc7h13o-o ic6h13co-b ac6h12cho-b cc6h12cho-b dc6h12cho-b ec6h12cho-b ic6h13co-d ac6h12cho-d bc6h12cho-d cc6h12cho-d dc6h12cho-d ec6h12cho-d ic3h7coc3h6-i ic3h7coc3h6-t tc4h8coc2h5 tc4h9coc2h4s tc4h9coc2h4p neoc5h10coch3 tc4h9chcoch3 neoc5h11coch2 neoc6h13co fc6h12cho gc6h12cho hc6h12cho xc7h13o-x1 yc7h13o-x1 oc7h13o-n oc7h13o-q xc7h13o-y2 yc7h13o-x2
+
+{'c': 7, 'o': 1, 'h': 14}
+AA :
+LLNL : c7h14o1-2 c7h14o1-3 c7h14o1-4 c7h14o1-5 c7h14o2-3 c7h14o2-4 c7h14o2-5 c7h14o2-6 c7h14o3-4 c7h14o3-5 x-x1c7h14o x-x2c7h14o x-y1c7h14o x-y2c7h14o x-zc7h14o y-yc7h14o y-zc7h14o n-nc7h14o n-oc7h14o n-pc7h14o n-qc7h14o o-pc7h14o o-qc7h14o p-qc7h14o ic6h13cho-b ic6h13cho-d ic3h7coc3h7-i tc4h9coc2h5 neoc5h11coch3 neoc6h13cho
+
+{'c': 7, 'o': 1, 'h': 15}
+AA :
+LLNL : c7h15o-1 c7h15o-2 c7h15o-3 c7h15o-4 c7h14oh-1 c7h14oh-2 c7h14oh-3 xc7h15o yc7h15o zc7h15o xc7h14oh yc7h14oh nc7h15o oc7h15o pc7h15o qc7h15o oc7h14oh pc7h14oh
+
+{'c': 7, 'o': 2, 'h': 5}
+AA : hoc6h4co
+LLNL : hoc6h4co
+
+{'c': 7, 'o': 2, 'h': 6}
+AA : hoc6h4cho
+LLNL : hoc6h4cho
+
+{'c': 7, 'o': 2, 'h': 7}
+AA : c6h5ch2oo hoc6h4ch2o
+LLNL : c6h5ch2ooj hoc6h4ch2o o2c6h4ch3 rodc6j(c)do
+
+{'c': 7, 'o': 2, 'h': 8}
+AA : bzcooh
+LLNL : c6h5ch2ooh
+
+{'c': 7, 'o': 2, 'h': 14}
+AA :
+LLNL : xc7h13ooh-x1 yc7h13ooh-x1 oc7h13ooh-n xc7h13ooh-z pc7h13ooh-o oc7h13ooh-q xc7h13ooh-y2 yc7h13ooh-x2
+
+{'c': 7, 'o': 2, 'h': 15}
+AA :
+LLNL : c7h15o2-1 c7h15o2-2 c7h15o2-3 c7h15o2-4 c7h14ooh1-2 c7h14ooh1-3 c7h14ooh1-4 c7h14ooh1-5 c7h14ooh2-1 c7h14ooh2-3 c7h14ooh2-4 c7h14ooh2-5 c7h14ooh2-6 c7h14ooh3-1 c7h14ooh3-2 c7h14ooh3-4 c7h14ooh3-5 c7h14ooh3-6 c7h14ooh3-7 c7h14ooh4-1 c7h14ooh4-2 c7h14ooh4-3 xc7h15o2 yc7h15o2 zc7h15o2 xc7h14ooh-x1 xc7h14ooh-y1 xc7h14ooh-z xc7h14ooh-y2 xc7h14ooh-x2 yc7h14ooh-x1 yc7h14ooh-z yc7h14ooh-y2 yc7h14ooh-x2 zc7h14ooh-x zc7h14ooh-y nc7h15o2 oc7h15o2 pc7h15o2 qc7h15o2 nc7h14ooh-n2 nc7h14ooh-q qc7h14ooh-n nc7h14ooh-o nc7h14ooh-p qc7h14ooh-o qc7h14ooh-p oc7h14ooh-n oc7h14ooh-q pc7h14ooh-n pc7h14ooh-q oc7h14ooh-p pc7h14ooh-o
+
+{'c': 7, 'o': 2, 'h': 16}
+AA :
+LLNL : c7h15o2h-1 c7h15o2h-2 c7h15o2h-3 c7h15o2h-4 xc7h15o2h yc7h15o2h zc7h15o2h nc7h15o2h oc7h15o2h pc7h15o2h qc7h15o2h
+
+{'c': 7, 'o': 3, 'h': 7}
+AA : hoc6h4ch2oo
+LLNL : hoc6h4ch2oo
+
+{'c': 7, 'o': 3, 'h': 8}
+AA : hoc6h4ch2ooh
+LLNL : hoc6h4ch2ooh
+
+{'c': 7, 'o': 3, 'h': 14}
+AA :
+LLNL : nc7ket12 nc7ket13 nc7ket14 nc7ket15 nc7ket21 nc7ket23 nc7ket24 nc7ket25 nc7ket26 nc7ket31 nc7ket32 nc7ket34 nc7ket35 nc7ket36 nc7ket37 nc7ket41 nc7ket42 nc7ket43 c7ket24xx1 c7ket24xy1 c7ket24xz c7ket24xy2 c7ket24xx2 c7ket24zx c7ket24zy neoc7ketnn neoc7ketno neoc7ketnp neoc7ketnq neoc7keton neoc7ketop neoc7ketoq neoc7ketpn neoc7ketpo neoc7ketpq neoc7ketqn neoc7ketqo neoc7ketqp
+
+{'c': 7, 'o': 3, 'h': 15}
+AA :
+LLNL : o2c7h14oh-1 o2c7h14oh-2 o2c7h14oh-3 xo2c7h14oh yo2c7h14oh oo2c7h14oh po2c7h14oh
+
+{'c': 7, 'o': 4, 'h': 15}
+AA :
+LLNL : c7h14ooh1-2o2 c7h14ooh1-3o2 c7h14ooh1-4o2 c7h14ooh1-5o2 c7h14ooh2-1o2 c7h14ooh2-3o2 c7h14ooh2-4o2 c7h14ooh2-5o2 c7h14ooh2-6o2 c7h14ooh3-1o2 c7h14ooh3-2o2 c7h14ooh3-4o2 c7h14ooh3-5o2 c7h14ooh3-6o2 c7h14ooh3-7o2 c7h14ooh4-1o2 c7h14ooh4-2o2 c7h14ooh4-3o2 xc7h14ooh-x1o2 xc7h14ooh-x2o2 xc7h14ooh-y1o2 xc7h14ooh-y2o2 xc7h14ooh-zo2 yc7h14ooh-x1o2 yc7h14ooh-x2o2 yc7h14ooh-y2o2 yc7h14ooh-zo2 zc7h14ooh-xo2 zc7h14ooh-yo2 nc7h14ooh-n2o2 nc7h14ooh-qo2 qc7h14ooh-no2 nc7h14ooh-oo2 nc7h14ooh-po2 qc7h14ooh-oo2 qc7h14ooh-po2 oc7h14ooh-no2 oc7h14ooh-qo2 pc7h14ooh-no2 pc7h14ooh-qo2 oc7h14ooh-po2 pc7h14ooh-oo2
+
+{'c': 8, 'h': 5}
+AA : c6h4c2h
+LLNL :
+
+{'c': 8, 'h': 6}
+AA : c6h5c2h
+LLNL : c6h5c2h
+
+{'c': 8, 'h': 7}
+AA : c6h5cch2 c6h5chch c6h4c2h3
+LLNL : c6h5c2h2
+
+{'c': 8, 'h': 8}
+AA : c6h5c2h3
+LLNL : styr
+
+{'c': 8, 'h': 9}
+AA : c6h5chch3 c6h5ch2ch2
+LLNL : c6h5c2h4p c6h5c2h4s
+
+{'c': 8, 'h': 10}
+AA : c6h5c2h5
+LLNL : xylene c6h5c2h5
+
+{'c': 8, 'h': 15}
+AA :
+LLNL : ic8h15
+
+{'c': 8, 'h': 16}
+AA :
+LLNL : ic8h16 jc8h16
+
+{'c': 8, 'h': 17}
+AA :
+LLNL : ac8h17 bc8h17 cc8h17 dc8h17
+
+{'c': 8, 'h': 18}
+AA :
+LLNL : ic8h18
+
+{'c': 8, 'o': 1, 'h': 5}
+AA : c6h5cco
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 6}
+AA : c6h5chco
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 7}
+AA : c6h5ch2co c6h5coch2
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 8}
+AA : c6h5ch2hco
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 16}
+AA :
+LLNL : ic8eteraa ic8eterab ic8eterac ic8eterad ic8eterbc ic8eterbd ic8etercd ic8eterdd
+
+{'c': 8, 'o': 1, 'h': 17}
+AA :
+LLNL : ac8h17o bc8h17o cc8h17o dc8h17o cc8h16oh-b bc8h16oh-c cc8h16oh-d dc8h16oh-c
+
+{'c': 8, 'o': 2, 'h': 9}
+AA : c6h5ch2ch2oo c6h5chooch3
+LLNL :
+
+{'c': 8, 'o': 2, 'h': 17}
+AA :
+LLNL : ac8h17o2 bc8h17o2 cc8h17o2 dc8h17o2 ac8h16ooh-a ac8h16ooh-b ac8h16ooh-c ac8h16ooh-d bc8h16ooh-c bc8h16ooh-a bc8h16ooh-d cc8h16ooh-d cc8h16ooh-b cc8h16ooh-a dc8h16ooh-c dc8h16ooh-d dc8h16ooh-b dc8h16ooh-a
+
+{'c': 8, 'o': 2, 'h': 18}
+AA :
+LLNL : ac8h17o2h bc8h17o2h cc8h17o2h dc8h17o2h
+
+{'c': 8, 'o': 3, 'h': 16}
+AA :
+LLNL : ic8ketaa ic8ketab ic8ketac ic8ketad ic8ketba ic8ketbc ic8ketbd ic8ketda ic8ketdb ic8ketdc ic8ketdd
+
+{'c': 8, 'o': 3, 'h': 17}
+AA :
+LLNL : cc8h16oh-bo2 cc8h16o-bo2h bc8h16oh-co2 bc8h16o-co2h cc8h16oh-do2 cc8h16o-do2h dc8h16oh-co2 dc8h16o-co2h
+
+{'c': 8, 'o': 4, 'h': 17}
+AA :
+LLNL : ac8h16ooh-ao2 ac8h16ooh-bo2 ac8h16ooh-co2 ac8h16ooh-do2 bc8h16ooh-co2 bc8h16ooh-ao2 bc8h16ooh-do2 cc8h16ooh-do2 cc8h16ooh-bo2 cc8h16ooh-ao2 dc8h16ooh-co2 dc8h16ooh-do2 dc8h16ooh-bo2 dc8h16ooh-ao2
+
+{'c': 9, 'h': 7}
+AA : c9h7 indenyl
+LLNL :
+
+{'c': 9, 'h': 8}
+AA : ind
+LLNL : ind
+
+{'c': 9, 'h': 9}
+AA : c6h5c3h4
+LLNL :
+
+{'c': 9, 'h': 10}
+AA : c6h5c3h5-1 c6h5c3h5-2 ch3c6h4c2h3
+LLNL : cr3 cr4
+
+{'c': 9, 'h': 11}
+AA : pbzja pbzjb pbzjc
+LLNL :
+
+{'c': 9, 'h': 12}
+AA : pbz
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 6}
+AA : c9h6o
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 7}
+AA : indenoxy
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 8}
+AA : c6h5ch2chco c6h5c2h2hco c6h5coc2h3
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 9}
+AA : c6h5c2h4co c6h5ch2coch2 c6h5coc2h4 coc6h5c3h4-1 aoc6h5c3h4-2
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 10}
+AA : cyclo4 cyc3ab cyc3cb pbo c6h5c2h4hco
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 11}
+AA : pboj bc6h5c3h5oha ac6h5c3h5ohb cc6h5c3h5ohb bc6h5c3h5ohc
+LLNL :
+
+{'c': 9, 'o': 2, 'h': 9}
+AA : c6h5coch2ch2o c6h5ch2coch2o
+LLNL :
+
+{'c': 9, 'o': 2, 'h': 10}
+AA : pbenooh
+LLNL :
+
+{'c': 9, 'o': 2, 'h': 11}
+AA : pbzcoo pboohc-b pboohc-a pbzboo pboohb-c pboohb-a pbzaoo pbooha-c pbooha-b
+LLNL :
+
+{'c': 9, 'o': 3, 'h': 9}
+AA : c6h5coch2ch2o2 c6h5ch2coch2o2
+LLNL :
+
+{'c': 9, 'o': 3, 'h': 10}
+AA : pbketba pbketbc pbketab pbketac pbketcb pbketca c6h5coch2ch2o2h c6h5ch2coch2o2h
+LLNL :
+
+{'c': 9, 'o': 3, 'h': 11}
+AA : pbzohaqjb pbzohbqja pbzohbqjc pbzohcqjb
+LLNL :
+
+{'c': 9, 'o': 4, 'h': 11}
+AA : pboohbooa pboohaoob pboohcoob pboohbooc pboohcooa pboohaooc
+LLNL :
+
+{'c': 10, 'h': 7}
+AA : naph* naph- a1c2hac a2-x
+LLNL :
+
+{'c': 10, 'h': 8}
+AA : naph
+LLNL : naph
+
+{'c': 10, 'h': 9}
+AA : c10h9 a1c2h3ac
+LLNL : bicpdj c10h9
+
+{'c': 10, 'h': 10}
+AA : c10h10 c6h5c4h5
+LLNL : bicpd c10h10
+
+{'c': 10, 'h': 11}
+AA : bc6h5c4h6-3 cc6h5c4h6-1 dc6h5c4h6-1
+LLNL :
+
+{'c': 10, 'h': 12}
+AA : c6h5c4h7-3 c6h5c4h7-2 c6h5c4h7-1
+LLNL : dicypd cr5
+
+{'c': 10, 'h': 13}
+AA : ac6h5c4h8 bc6h5c4h8 cc6h5c4h8 dc6h5c4h8
+LLNL :
+
+{'c': 10, 'h': 14}
+AA : c6h5c4h9
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 7}
+AA : napho a2o
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 11}
+AA : bbze3ojb bbze1ojc bbze1ojd
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 12}
+AA : c6h5c4h7o-ab c6h5c4h7o-ac c6h5c4h7o-ad c6h5c4h7o-bc c6h5c4h7o-bd c6h5c4h7o-cd
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 13}
+AA : c6h5c4h8oja c6h5c4h8ojb c6h5c4h8ojc c6h5c4h8ojd bbzohdrc bbzohcrd bbzohcrb bbzohbrc bbzoharb bbzohbra
+LLNL :
+
+{'c': 10, 'o': 2, 'h': 13}
+AA : c6h5c4h8qjd bbzqdrc bbzqdrb bbzqdra bbzqcrd bbzqcrb bbzqcra bbzqbrd bbzqbrc bbzqbra bbzqard bbzqarc bbzqarb c6h5c4h8qja c6h5c4h8qjc c6h5c4h8qjb
+LLNL :
+
+{'c': 10, 'o': 2, 'h': 14}
+AA : bbzqa bbzqb bbzqc bbzqd
+LLNL :
+
+{'c': 10, 'o': 3, 'h': 12}
+AA : bbzocqd bbzobqd bbzoaqd bbzodqc bbzobqc bbzoaqc bbzodqb bbzocqb bbzoaqb bbzodqa bbzocqa bbzobqa
+LLNL :
+
+{'c': 10, 'o': 3, 'h': 13}
+AA : bbzohdqjc bbzohcqjd bbzohcqjb bbzohbqjc bbzohaqjb bbzohbqja
+LLNL :
+
+{'c': 10, 'o': 4, 'h': 13}
+AA : bbzqdqjc bbzqdqjb bbzqcqjd bbzqbqjd bbzqdqja bbzqaqjd bbzqaqjb bbzqbqja bbzqaqjc bbzqcqja bbzqcqjb bbzqbqjc
+LLNL :
+
+{'c': 11, 'h': 13}
+AA :
+LLNL : cr2
+
+{'c': 11, 'h': 14}
+AA :
+LLNL : cr1
+
+{'c': 12, 'h': 10}
+AA :
+LLNL : c12h10
+
+{'c': 13, 'h': 10}
+AA : fluorene
+LLNL :
+
+{'c': 14, 'h': 10}
+AA : c14h10 phnthrn
+LLNL : phena
+
+{'c': 14, 'h': 11}
+AA : c14h11
+LLNL : phcchph
+
+{'c': 14, 'h': 12}
+AA : c14h12
+LLNL : stylben
+
+{'c': 14, 'h': 13}
+AA : c14h13
+LLNL : c14h13
+
+{'c': 14, 'h': 14}
+AA : c14h14
+LLNL : c14h14
+
+{'c': 14, 'o': 1, 'h': 13}
+AA : c14h13o
+LLNL :
+
+{'c': 14, 'o': 2, 'h': 13}
+AA : c14h13oo c14h12ooh
+LLNL : c14h13oo
+
+{'c': 14, 'o': 2, 'h': 14}
+AA : c14h13ooh
+LLNL :
+
+{'c': 14, 'o': 3, 'h': 12}
+AA : c14h11o-1o2h
+LLNL :
+
+{'c': 14, 'o': 4, 'h': 13}
+AA : c14h12o2h-1o2
+LLNL :
+
+{'c': 16, 'h': 10}
+AA : c16h10
+LLNL :
+
+{'c': 20, 'h': 16}
+AA : bin1a
+LLNL :
+
diff --git a/Exemple/Results Directory/new_model_TIRAMISU_kt.mech b/Exemple/Results extraction merging/new_model_TIRAMISU_kt.mech
similarity index 100%
rename from Exemple/Results Directory/new_model_TIRAMISU_kt.mech
rename to Exemple/Results extraction merging/new_model_TIRAMISU_kt.mech
diff --git a/Exemple/Results extraction merging/new_model_TIRAMISU_kt.therm b/Exemple/Results extraction merging/new_model_TIRAMISU_kt.therm
new file mode 100644
index 0000000000000000000000000000000000000000..9f2a42efd72cf530dbe5faf445459dcf56cd0016
--- /dev/null
+++ b/Exemple/Results extraction merging/new_model_TIRAMISU_kt.therm
@@ -0,0 +1,5517 @@
+!test @
+! n=10000 depth=3 kinetics and thermodynamics retained from LLNL
+! 03/05/2024
+!kt
+THERMO
+ 300.000 1000.000 5000.000
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! LLNL THERMO !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+H H 1 G 300.00 5000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
++2.54716300E+04-4.60117600E-01+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00+2.54716300E+04-4.60117600E-01 4
+H2 H 2 G 300.00 5000.00 1000.00 1
++2.99142300E+00+7.00064400E-04-5.63382900E-08-9.23157800E-12+1.58275200E-15 2
+-8.35034000E+02-1.35511000E+00+3.29812400E+00+8.24944200E-04-8.14301500E-07 3
+-9.47543400E-11+4.13487200E-13-1.01252100E+03-3.29409400E+00 4
+O O 1 G 300.00 5000.00 1000.00 1
++2.54206000E+00-2.75506200E-05-3.10280300E-09+4.55106700E-12-4.36805200E-16 2
++2.92308000E+04+4.92030800E+00+2.94642900E+00-1.63816600E-03+2.42103200E-06 3
+-1.60284300E-09+3.89069600E-13+2.91476400E+04+2.96399500E+00 4
+O2 O 2 G 300.00 5000.00 1000.00 1
++3.69757800E+00+6.13519700E-04-1.25884200E-07+1.77528100E-11-1.13643500E-15 2
+-1.23393000E+03+3.18916600E+00+3.21293600E+00+1.12748600E-03-5.75615000E-07 3
++1.31387700E-09-8.76855400E-13-1.00524900E+03+6.03473800E+00 4
+OH O 1H 1 G 300.00 5000.00 1710.00 1
++2.85376040E+00+1.02994334E-03-2.32666477E-07+1.93750704E-11-3.15759847E-16 2
++3.69949720E+03+5.78756825E+00+3.41896226E+00+3.19255801E-04-3.08292717E-07 3
++3.64407494E-10-1.00195479E-13+3.45264448E+03+2.54433372E+00 4
+H2O O 1H 2 G 300.00 5000.00 1000.00 1
++2.67214600E+00+3.05629300E-03-8.73026000E-07+1.20099600E-10-6.39161800E-15 2
+-2.98992100E+04+6.86281700E+00+3.38684200E+00+3.47498200E-03-6.35469600E-06 3
++6.96858100E-09-2.50658800E-12-3.02081100E+04+2.59023300E+00 4
+HO2 H 1O 2 G 200.00 3500.00 1000.00 1
++4.01721090E+00+2.23982013E-03-6.33658150E-07+1.14246370E-10-1.07908535E-14 2
++1.11856713E+02+3.78510215E+00+4.30179801E+00-4.74912051E-03+2.11582891E-05 3
+-2.42763894E-08+9.29225124E-12+2.94808040E+02+3.71666245E+00 4
+H2O2 H 2O 2 G 300.00 5000.00 1000.00 1
++4.57316700E+00+4.33613600E-03-1.47468900E-06+2.34890400E-10-1.43165400E-14 2
+-1.80069600E+04+5.01137000E-01+3.38875400E+00+6.56922600E-03-1.48501300E-07 3
+-4.62580600E-09+2.47151500E-12-1.76631500E+04+6.78536300E+00 4
+AR AR 1 G 300.00 5000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
+-7.45375000E+02+4.36600100E+00+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00-7.45375000E+02+4.36600100E+00 4
+CO O 1C 1 G 300.00 5000.00 1429.00 1
++3.11216890E+00+1.15948283E-03-3.38480362E-07+4.41403098E-11-2.12862228E-15 2
+-1.42718539E+04+5.71725177E+00+3.19036352E+00+8.94419972E-04-3.24927563E-08 3
+-1.04599967E-10+2.41965693E-14-1.42869054E+04+5.33277914E+00 4
+CO2 C 1O 2 G 300.00 5000.00 1380.00 1
++5.18953018E+00+2.06006476E-03-7.33575324E-07+1.17004374E-10-6.91729215E-15 2
+-4.93178953E+04-5.18289303E+00+2.57930490E+00+8.24684987E-03-6.42716047E-06 3
++2.54637024E-09-4.12030443E-13-4.84162830E+04+8.81141041E+00 4
+CH2O O 1C 1H 2 G 300.00 5000.00 1486.00 1
++4.02068394E+00+5.09903417E-03-1.76430480E-06+2.76025879E-10-1.60998042E-14 2
+-1.49287258E+04+1.06525547E+00+3.00754197E+00+3.04729496E-03+5.25109246E-06 3
+-5.12019281E-09+1.27133795E-12-1.41188397E+04+8.10120233E+00 4
+HCO O 1C 1H 1 G 300.00 5000.00 1690.00 1
++3.44148164E+00+3.52157719E-03-1.24136118E-06+1.97328644E-10-1.16538616E-14 2
++3.97409684E+03+6.24593456E+00+3.81049965E+00+8.13269825E-04+3.13164701E-06 3
+-2.39478268E-09+5.06894554E-13+4.03859901E+03+4.94843165E+00 4
+HO2CHO O 3C 1H 2 G 300.00 5000.00 1378.00 1
++9.87503878E+00+4.64663708E-03-1.67230522E-06+2.68624413E-10-1.59595232E-14 2
+-3.80502496E+04-2.24939155E+01+2.42464726E+00+2.19706380E-02-1.68705546E-05 3
++6.25612194E-09-9.11645843E-13-3.54828006E+04+1.75027796E+01 4
+O2CHO O 3C 1H 1 G 300.00 5000.00 1368.00 1
++7.24075139E+00+4.63312951E-03-1.63693995E-06+2.59706693E-10-1.52964699E-14 2
+-1.87027618E+04-6.49547212E+00+3.96059309E+00+1.06002279E-02-5.25713351E-06 3
++1.01716726E-09-2.87487602E-14-1.73599383E+04+1.17807483E+01 4
+HOCHO C 1H 2O 2 G 300.00 5000.00 1419.00 1
++7.67134440E+00+4.43426373E-03-1.60867436E-06+2.59770020E-10-1.54899704E-14 2
+-4.89708660E+04-1.73024418E+01+1.28069021E+00+1.52887758E-02-5.64150476E-06 3
+-1.22968799E-09+8.14273233E-13-4.64347524E+04+1.83142081E+01 4
+OCHO C 1H 1O 2 G 300.00 5000.00 1412.00 1
++6.49815560E+00+3.22319012E-03-1.17099595E-06+1.89272918E-10-1.12937000E-14 2
+-1.81679042E+04-1.00412613E+01+1.42991854E+00+1.22803284E-02-5.28461096E-06 3
+-3.73026551E-10+5.07953571E-13-1.62042814E+04+1.80411779E+01 4
+HOCH2O2H O 3C 1H 4 G 300.00 5000.00 1422.00 1
++1.16303827E+01+7.15133688E-03-2.39035030E-06+3.65772791E-10-2.10199524E-14 2
+-4.31079242E+04-3.24276725E+01+1.85716693E+00+3.23153132E-02-2.69928902E-05 3
++1.11694484E-08-1.81284103E-12-4.00314471E+04+1.90917729E+01 4
+HOCH2O2 O 3H 3C 1 G 300.00 5000.00 1412.00 1
++9.04545938E+00+7.15223373E-03-2.37005676E-06+3.60083481E-10-2.05750228E-14 2
+-2.49414886E+04-1.74210530E+01+2.85441621E+00+2.33663535E-02-1.88115990E-05 3
++7.96709515E-09-1.36346618E-12-2.29866196E+04+1.51730565E+01 4
+OCH2O2H O 3H 3C 1 G 300.00 5000.00 1420.00 1
++1.15398246E+01+5.34291432E-03-1.81878917E-06+2.81968625E-10-1.63584348E-14 2
+-1.68237489E+04-3.20700633E+01+1.93823075E+00+3.01465730E-02-2.61053152E-05 3
++1.09463562E-08-1.78312692E-12-1.38166625E+04+1.85042002E+01 4
+HOCH2O H 3C 1O 2 G 300.00 5000.00 1452.00 1
++6.39521515E+00+7.43673043E-03-2.50422354E-06+3.84879712E-10-2.21778689E-14 2
+-2.41108840E+04-6.63865583E+00+4.11183145E+00+7.53850697E-03+3.77337370E-06 3
+-5.38746005E-09+1.45615887E-12-2.28023001E+04+7.46807254E+00 4
+CH3OH O 1C 1H 4 G 300.00 5000.00 1985.00 1
++3.92867513E+00+9.81626074E-03-3.40615476E-06+5.35510197E-10-3.13776029E-14 2
+-2.61454175E+04+2.69464483E+00+1.82176844E+00+1.23326420E-02-2.73742177E-06 3
+-1.07387318E-09+4.23644837E-13-2.52222207E+04+1.48104300E+01 4
+CH2OH H 3O 1C 1 G 300.00 5000.00 1399.00 1
++5.41875913E+00+5.66185244E-03-1.87471136E-06+2.84441938E-10-1.62299798E-14 2
+-3.61475540E+03-3.49277963E+00+3.05674228E+00+1.19335634E-02-8.72501303E-06 3
++3.82781054E-09-7.22887951E-13-2.83140190E+03+8.98878133E+00 4
+CH3O H 3O 1C 1 G 300.00 5000.00 1509.00 1
++4.64787019E+00+6.90830683E-03-2.34404776E-06+3.61994570E-10-2.09253541E-14 2
+-2.99208881E+02-1.57740193E+00+2.23058023E+00+8.53178586E-03+1.02166624E-06 3
+-3.41046916E-09+9.94691038E-13+9.45939708E+02+1.28377569E+01 4
+CH3O2H C 1H 4O 2 G 300.00 5000.00 1367.00 1
++8.80409289E+00+8.09427218E-03-2.85843274E-06+4.53369754E-10-2.66980707E-14 2
+-1.98512174E+04-2.17000591E+01+2.83880024E+00+1.86096249E-02-8.48165412E-06 3
++1.00387451E-09+1.71612429E-13-1.74033753E+04+1.16092433E+01 4
+CH3O2 H 3C 1O 2 G 300.00 5000.00 1365.00 1
++6.34718801E+00+7.92089358E-03-2.76601913E-06+4.35360631E-10-2.54984762E-14 2
+-1.83436055E+03-7.42552545E+00+3.80497590E+00+9.80784660E-03-3.90940624E-07 3
+-2.23072602E-09+6.43310820E-13-4.55625796E+02+7.81789100E+00 4
+CH4 C 1H 4 G 300.00 5000.00 1462.00 1
++4.09617653E+00+7.44330845E-03-2.63871900E-06+4.19577604E-10-2.47508050E-14 2
+-1.13835704E+04-4.67561383E+00+3.72113020E+00-2.50293289E-03+1.90246534E-05 3
+-1.46871253E-08+3.43791152E-12-1.01424099E+04+1.22776596E+00 4
+CH3 H 3C 1 G 300.00 5000.00 1389.00 1
++3.51281376E+00+5.11412613E-03-1.67632050E-06+2.52495174E-10-1.43302923E-14 2
++1.61238027E+04+1.62436112E+00+3.43858162E+00+4.07752664E-03+3.19830994E-07 3
+-9.47669390E-10+2.21828166E-13+1.63164018E+04+2.52807406E+00 4
+CH2 C 1H 2 G 250.00 4000.00 1000.00 1
++3.63640800E+00+1.93305700E-03-1.68701600E-07-1.00989900E-10+1.80825600E-14 2
++4.53413400E+04+2.15656100E+00+3.76223700E+00+1.15981900E-03+2.48958500E-07 3
++8.80083600E-10-7.33243500E-13+4.53679100E+04+1.71257800E+00 4
+CH2(S) C 1H 2 G 300.00 4000.00 1000.00 1
++3.55288900E+00+2.06678800E-03-1.91411600E-07-1.10467300E-10+2.02135000E-14 2
++4.98497500E+04+1.68657000E+00+3.97126500E+00-1.69908900E-04+1.02536900E-06 3
++2.49255100E-09-1.98126600E-12+4.98936800E+04+5.75320700E-02 4
+C C 1 G 300.00 5000.00 1000.00 1
++2.60208700E+00-1.78708100E-04+9.08704100E-08-1.14993300E-11+3.31084400E-16 2
++8.54215400E+04+4.19517700E+00+2.49858500E+00+8.08577700E-05-2.69769700E-07 3
++3.04072900E-10-1.10665200E-13+8.54587800E+04+4.75345900E+00 4
+CH C 1H 1 G 300.00 5000.00 1000.00 1
++2.19622300E+00+2.34038100E-03-7.05820100E-07+9.00758200E-11-3.85504000E-15 2
++7.08672300E+04+9.17837300E+00+3.20020200E+00+2.07287600E-03-5.13443100E-06 3
++5.73389000E-09-1.95553300E-12+7.04525900E+04+3.33158800E+00 4
+C2H6 C 2H 6 G 300.00 5000.00 1383.00 1
++6.05972630E+00+1.30382837E-02-4.48103942E-06+6.97762095E-10-4.05606353E-14 2
+-1.35751226E+04-1.28608001E+01+4.78623203E-02+2.40569127E-02-1.15155912E-05 3
++2.48666238E-09-1.78343944E-13-1.10923014E+04+2.06544071E+01 4
+C2H5 H 5C 2 G 300.00 5000.00 1387.00 1
++5.88784390E+00+1.03076793E-02-3.46844396E-06+5.32499257E-10-3.06512651E-14 2
++1.15065499E+04-8.49651771E+00+1.32730217E+00+1.76656753E-02-6.14926558E-06 3
+-3.01143466E-10+4.38617775E-13+1.34284028E+04+1.71789216E+01 4
+C2H4 C 2H 4 G 300.00 5000.00 1395.00 1
++5.22176372E+00+8.96137303E-03-3.04868886E-06+4.71465524E-10-2.72739592E-14 2
++3.60389679E+03-7.47789234E+00+2.33879687E-01+1.96334647E-02-1.16833214E-05 3
++3.64246453E-09-4.77442715E-13+5.46489338E+03+1.97084228E+01 4
+C2H3 H 3C 2 G 300.00 5000.00 1395.00 1
++5.07331248E+00+6.58316278E-03-2.23762924E-06+3.45803379E-10-1.99940490E-14 2
++3.37234748E+04-3.39792712E+00+1.25329724E+00+1.56258370E-02-1.07803879E-05 3
++4.18054634E-09-7.01360362E-13+3.50734773E+04+1.71341661E+01 4
+C2H2 C 2H 2 G 300.00 5000.00 1407.00 1
++4.98265164E+00+4.25992930E-03-1.37483523E-06+2.04717964E-10-1.15191740E-14 2
++2.52697118E+04-5.81321385E+00+2.06742667E+00+1.46568506E-02-1.52947063E-05 3
++8.30965761E-09-1.72932175E-12+2.59578589E+04+8.62758672E+00 4
+C2H C 2H 1 G 300.00 5000.00 1361.00 1
++4.66893822E+00+2.01284720E-03-7.01828634E-07+1.10347228E-10-6.45790465E-15 2
++6.60310696E+04-2.25424693E+00+4.27708350E+00+1.74130076E-03+7.31180206E-07 3
+-9.71827901E-10+2.36956727E-13+6.63125955E+04+3.16341916E-01 4
+CH3CHO O 1C 2H 4 G 300.00 5000.00 1377.00 1
++6.98518866E+00+9.67897787E-03-3.31841954E-06+5.16025901E-10-2.99725903E-14 2
+-2.39807279E+04-1.27484852E+01+1.77060035E+00+1.84475161E-02-7.24138162E-06 3
++2.34364561E-10+3.35543891E-13-2.18078850E+04+1.65023437E+01 4
+CH3CO H 3O 1C 2 G 300.00 5000.00 1371.00 1
++6.56682466E+00+7.55308669E-03-2.59966784E-06+4.05334994E-10-2.35876164E-14 2
+-4.76690401E+03-8.83301965E+00+2.52884150E+00+1.37152173E-02-4.28607476E-06 3
+-7.71684278E-10+4.83836380E-13-3.02546532E+03+1.40340315E+01 4
+CH2CHO H 3O 1C 2 G 300.00 5000.00 1388.00 1
++7.54145790E+00+6.82297125E-03-2.36938607E-06+3.71633517E-10-2.17160048E-14 2
+-2.61437239E+03-1.62602766E+01+1.47616956E+00+2.08974186E-02-1.50123552E-05 3
++5.62967382E-09-8.76624470E-13-4.82050510E+02+1.63756465E+01 4
+CH2CO O 1C 2H 2 G 300.00 5000.00 1000.00 1
++6.03881700E+00+5.80484000E-03-1.92095400E-06+2.79448500E-10-1.45886800E-14 2
+-8.58340200E+03-7.65758100E+00+2.97497100E+00+1.21187100E-02-2.34504600E-06 3
+-6.46668500E-09+3.90564900E-12-7.63263700E+03+8.67355300E+00 4
+HCCO O 1C 2H 1 G 300.00 4000.00 1000.00 1
++6.75807300E+00+2.00040000E-03-2.02760700E-07-1.04113200E-10+1.96516500E-14 2
++1.90151300E+04-9.07126200E+00+5.04796500E+00+4.45347800E-03+2.26828300E-07 3
+-1.48209500E-09+2.25074200E-13+1.96589200E+04+4.81843900E-01 4
+HCCOH O 1C 2H 2 G 300.00 4000.00 1000.00 1
++7.32832400E+00+3.33641600E-03-3.02470500E-07-1.78110600E-10+3.24516800E-14 2
++7.59825800E+03-1.40121400E+01+3.89946500E+00+9.70107500E-03-3.11930900E-07 3
+-5.53773200E-09+2.46573200E-12+8.70119000E+03+4.49187500E+00 4
+CH3CO3H O 3C 2H 4 G 300.00 5000.00 1391.00 1
++1.25060485E+01+9.47789695E-03-3.30402246E-06+5.19630793E-10-3.04233568E-14 2
+-4.59856703E+04-3.79195947E+01+2.24135876E+00+3.37963514E-02-2.53887482E-05 3
++9.67583587E-09-1.49266157E-12-4.24677831E+04+1.70668133E+01 4
+CH3CO3 O 3H 3C 2 G 300.00 5000.00 1391.00 1
++1.12522498E+01+8.33652672E-03-2.89014530E-06+4.52781734E-10-2.64354456E-14 2
+-2.60238584E+04-2.96370457E+01+3.60373432E+00+2.70080341E-02-2.08293438E-05 3
++8.50541104E-09-1.43846110E-12-2.34205171E+04+1.12014914E+01 4
+CH3CO2 H 3C 2O 2 G 300.00 5000.00 1395.00 1
++8.54059736E+00+8.32951214E-03-2.84722010E-06+4.41927196E-10-2.56373394E-14 2
+-2.97290678E+04-2.03883545E+01+1.37440768E+00+2.49115604E-02-1.74308894E-05 3
++6.24799508E-09-9.09516835E-13-2.72330150E+04+1.81405454E+01 4
+C2H5OH O 1C 2H 6 G 300.00 5000.00 1395.00 1
++8.31742137E+00+1.29603294E-02-4.39286497E-06+6.77734995E-10-3.91448231E-14 2
+-3.25219715E+04-1.96502783E+01+1.79106094E-01+3.09060081E-02-1.93596697E-05 3
++6.31830859E-09-8.53166875E-13-2.95670605E+04+2.44715919E+01 4
+C2H5O O 1H 5C 2 G 300.00 5000.00 1393.00 1
++8.23717244E+00+1.10885879E-02-3.78808372E-06+5.87613473E-10-3.40712889E-14 2
+-6.22948597E+03-1.93190543E+01+2.87429022E-01+2.86500918E-02-1.83857008E-05 3
++6.03096179E-09-8.04562643E-13-3.35717377E+03+2.37513898E+01 4
+PC2H4OH O 1H 5C 2 G 300.00 5000.00 1396.00 1
++7.88509591E+00+1.08287795E-02-3.66829683E-06+5.65734300E-10-3.26673351E-14 2
+-7.44974622E+03-1.44673770E+01+9.90023426E-01+2.61564272E-02-1.65928300E-05 3
++5.50525131E-09-7.57520667E-13-4.96032283E+03+2.28675716E+01 4
+SC2H4OH O 1H 5C 2 G 300.00 5000.00 1397.00 1
++8.34980768E+00+1.03718068E-02-3.49683481E-06+5.37524748E-10-3.09661005E-14 2
+-1.10556188E+04-1.81354112E+01+1.61103852E+00+2.63511867E-02-1.82941500E-05 3
++6.91243160E-09-1.10384057E-12-8.71494725E+03+1.80114775E+01 4
+O2C2H4OH O 3H 5C 2 G 300.00 5000.00 1392.00 1
++1.07432659E+01+1.30957787E-02-4.45370088E-06+6.88548738E-10-3.98230113E-14 2
+-2.55911274E+04-2.33254953E+01+4.11839445E+00+2.72240632E-02-1.60824430E-05 3
++5.17033408E-09-7.31610168E-13-2.30857785E+04+1.28482112E+01 4
+C2H5O2H C 2H 6O 2 G 300.00 5000.00 1391.00 1
++1.12305737E+01+1.20482120E-02-3.96730201E-06+6.00754632E-10-3.42657803E-14 2
+-2.47977531E+04-3.25607232E+01+1.57329011E+00+3.52379996E-02-2.53203993E-05 3
++9.56802476E-09-1.48167375E-12-2.15278368E+04+1.90472032E+01 4
+C2H5O2 H 5C 2O 2 G 300.00 5000.00 1387.00 1
++8.77641329E+00+1.18767163E-02-3.87683050E-06+5.83210754E-10-3.31006724E-14 2
+-6.78748703E+03-1.83119972E+01+2.58630333E+00+2.61836362E-02-1.68306193E-05 3
++6.08749295E-09-9.57302040E-13-4.58588992E+03+1.50486289E+01 4
+C2H4O2H H 5C 2O 2 G 300.00 5000.00 1397.00 1
++1.05228954E+01+9.48091381E-03-3.55727763E-06+6.41445994E-10-4.21232247E-14 2
++1.55718322E+03-2.31413632E+01+3.46916874E+00+2.71188626E-02-2.08022550E-05 3
++8.44284845E-09-1.40756215E-12+3.89688270E+03+1.43400726E+01 4
+C2H4O1-2 O 1C 2H 4 G 300.00 5000.00 1399.00 1
++6.99485763E+00+1.00772459E-02-3.45220932E-06+5.36571216E-10-3.11563543E-14 2
+-1.04091344E+04-1.59857976E+01-1.44361790E+00+2.91837107E-02-1.96805054E-05 3
++6.67472575E-09-9.02139342E-13-7.43433507E+03+2.95212453E+01 4
+C2H3O1-2 H 3O 1C 2 G 300.00 5000.00 1492.00 1
++6.88486471E+00+6.94720501E-03-2.23214698E-06+3.32190767E-10-1.87124555E-14 2
++1.26442200E+04-1.23842570E+01-1.62965122E+00+2.93455486E-02-2.43737550E-05 3
++1.00522325E-08-1.61259036E-12+1.52459425E+04+3.22782741E+01 4
+CH3COCH3 O 1C 3H 6 G 300.00 5000.00 1382.00 1
++9.62674379E+00+1.45519245E-02-4.97749457E-06+7.72794591E-10-4.48367165E-14 2
+-3.11862263E+04-2.61613449E+01+1.24527408E+00+2.99760255E-02-1.40026661E-05 3
++2.16453512E-09+1.27637295E-13-2.78348727E+04+2.03682615E+01 4
+CH3COCH2 O 1H 5C 3 G 300.00 5000.00 1388.00 1
++1.08892477E+01+1.11540675E-02-3.85516785E-06+6.02834048E-10-3.51533449E-14 2
+-1.00741464E+04-3.18043322E+01+1.22337251E+00+3.24546742E-02-2.13542518E-05 3
++6.96777735E-09-8.99160299E-13-6.59419324E+03+2.05537233E+01 4
+CH3COCH2O2 O 3H 5C 3 G 300.00 5000.00 1379.00 1
++1.27690342E+01+1.42554828E-02-4.92821461E-06+7.70448921E-10-4.49110534E-14 2
+-2.34798669E+04-3.27155799E+01+5.95535468E+00+2.70255205E-02-1.37385031E-05 3
++3.53735851E-09-4.03922557E-13-2.06679464E+04+5.21436049E+00 4
+CH3COCH2O2H O 3C 3H 6 G 300.00 5000.00 1381.00 1
++1.52372810E+01+1.44114651E-02-5.01290009E-06+7.87071229E-10-4.60225784E-14 2
+-4.27564444E+04-4.77383784E+01+4.94789761E+00+3.60474432E-02-2.21719933E-05 3
++6.98296874E-09-9.21269260E-13-3.88687178E+04+8.49926130E+00 4
+CH3COCH2O H 5C 3O 2 G 300.00 5000.00 1370.00 1
++1.14637586E+01+1.32124342E-02-4.56580495E-06+7.13897538E-10-4.16281047E-14 2
+-2.23833017E+04-3.15127868E+01+3.72927689E+00+2.63943697E-02-1.09796486E-05 3
++8.58185303E-10+3.39474590E-13-1.91551565E+04+1.18505335E+01 4
+C2H3CHO O 1C 3H 4 G 300.00 5000.00 1393.00 1
++1.04184959E+01+9.48963321E-03-3.29310529E-06+5.16279203E-10-3.01587291E-14 2
+-1.49630281E+04-3.07235061E+01+2.92355162E-01+3.54321417E-02-2.94936324E-05 3
++1.28100124E-08-2.26144108E-12-1.16521584E+04+2.28878280E+01 4
+C2H3CO H 3O 1C 3 G 300.00 5000.00 1402.00 1
++9.37467676E+00+7.91296900E-03-2.67198280E-06+4.11115430E-10-2.36978981E-14 2
++1.92969514E+03-2.40892696E+01+1.36242013E+00+3.15273972E-02-3.00218935E-05 3
++1.48167112E-08-2.87971530E-12+4.25770215E+03+1.72626546E+01 4
+C2H5CHO O 1C 3H 6 G 300.00 5000.00 1375.00 1
++8.87216223E+00+2.01710762E-02-8.06487647E-06+1.37617784E-09-8.48922325E-14 2
+-2.83848527E+04-2.35069163E+01+5.93107530E+00+8.87943855E-03+2.03764325E-05 3
+-1.80149348E-08+4.14085655E-12-2.51377751E+04-5.87019974E-01 4
+C2H5CO O 1H 5C 3 G 300.00 5000.00 1362.00 1
++1.00147418E+01+1.61527961E-02-6.62976122E-06+1.15290667E-09-7.21263458E-14 2
+-1.00430305E+04-2.88570933E+01+8.35352246E+00-4.08739727E-03+3.64217954E-05 3
+-2.72457713E-08+6.06440266E-12-6.58577307E+03-1.05948346E+01 4
+CH3OCH3 O 1C 2H 6 G 300.00 5000.00 1368.00 1
++8.27745836E+00+1.32135539E-02-4.53264362E-06+7.05316507E-10-4.09933283E-14 2
+-2.61982700E+04-2.15190894E+01+1.50763450E+00+2.39914228E-02-8.68910500E-06 3
+-9.66835762E-11+4.89319361E-13-2.32810894E+04+1.67317297E+01 4
+CH3OCH2 O 1H 5C 2 G 300.00 5000.00 1376.00 1
++8.17137842E+00+1.10086181E-02-3.82352277E-06+5.99637202E-10-3.50317513E-14 2
+-3.41941605E+03-1.78650856E+01+2.91327415E+00+2.03364659E-02-9.59712342E-06 3
++2.07478525E-09-1.71343362E-13-1.18844240E+03+1.16066817E+01 4
+CH3OCH2O2 O 3H 5C 2 G 300.00 5000.00 1389.00 1
++1.24249729E+01+1.18705986E-02-4.07906532E-06+6.35310809E-10-3.69427867E-14 2
+-2.29679238E+04-3.53740145E+01+2.21029612E+00+3.68877454E-02-2.82561555E-05 3
++1.15730533E-08-1.97130470E-12-1.94940940E+04+1.91463601E+01 4
+CH2OCH2O2H O 3H 5C 2 G 300.00 5000.00 1393.00 1
++1.51191783E+01+9.23718883E-03-3.19127505E-06+4.99114678E-10-2.91162488E-14 2
+-1.84114867E+04-4.85706618E+01+2.52895507E+00+4.24128290E-02-3.73406386E-05 3
++1.66639333E-08-2.96443312E-12-1.44293306E+04+1.76899251E+01 4
+CH3OCH2O2H O 3C 2H 6 G 300.00 5000.00 1392.00 1
++1.49370964E+01+1.19465829E-02-4.12746359E-06+6.45422590E-10-3.76427939E-14 2
+-4.11001068E+04-4.99552737E+01+1.19855761E+00+4.59060764E-02-3.66252420E-05 3
++1.49318970E-08-2.46057445E-12-3.65363161E+04+2.31339904E+01 4
+CH3OCH2O H 5C 2O 2 G 300.00 5000.00 2012.00 1
++8.60261845E+00+1.35772195E-02-4.84661602E-06+7.77766193E-10-4.62633624E-14 2
+-2.13762444E+04-1.75775023E+01+3.25889339E+00+2.22146359E-02-7.78556340E-06 3
+-2.41484158E-10+4.51914496E-13-1.92377212E+04+1.23680069E+01 4
+O2CH2OCH2O2H O 5H 5C 2 G 300.00 5000.00 1402.00 1
++1.92038046E+01+1.04394841E-02-3.60582939E-06+5.63792843E-10-3.28807214E-14 2
+-3.79207055E+04-6.51847273E+01+1.99640551E+00+5.83226232E-02-5.53259778E-05 3
++2.59810540E-08-4.77141005E-12-3.27628742E+04+2.44215005E+01 4
+HO2CH2OCHO O 4C 2H 4 G 300.00 5000.00 1387.00 1
++1.64584298E+01+8.52683511E-03-3.04113500E-06+4.85596908E-10-2.87316334E-14 2
+-6.23959608E+04-5.38924139E+01+3.47935703E+00+4.02952392E-02-3.30109296E-05 3
++1.34360117E-08-2.18601580E-12-5.80629934E+04+1.52521392E+01 4
+OCH2OCHO O 3H 3C 2 G 300.00 5000.00 1475.00 1
++1.20233916E+01+8.11262659E-03-2.91356462E-06+4.67340384E-10-2.77375525E-14 2
+-4.33647231E+04-3.33691809E+01+5.19690837E+00+1.58839723E-02+3.53540547E-07 3
+-6.10456923E-09+1.94661801E-12-4.02242792E+04+6.11645828E+00 4
+HOCH2OCO O 3H 3C 2 G 300.00 5000.00 1603.00 1
++1.13737391E+01+8.17663898E-03-2.92034021E-06+4.66695616E-10-2.76276823E-14 2
+-4.65575743E+04-2.86035265E+01+6.08180801E+00+1.28768359E-02+2.04419418E-06 3
+-6.10154921E-09+1.79820559E-12-4.39526183E+04+2.54054449E+00 4
+CH3OCHO O 2C 2H 4 G 300.00 5000.00 1452.00 1
++1.06569185E+01+9.38112723E-03-3.37677206E-06+5.42455596E-10-3.22295330E-14 2
+-4.84651758E+04-3.27579443E+01+2.43526200E+00+1.81948325E-02+1.91236590E-06 3
+-8.44248945E-09+2.61758910E-12-4.46514732E+04+1.49522265E+01 4
+CH3OCO H 3C 2O 2 G 300.00 5000.00 1423.00 1
++1.02053021E+01+7.12269668E-03-2.57594255E-06+4.15104358E-10-2.47168227E-14 2
+-2.46870635E+04-2.86407262E+01+2.83313145E+00+1.53447505E-02+1.89583962E-06 3
+-7.70200413E-09+2.41564410E-12-2.13431832E+04+1.39524183E+01 4
+CH2OCHO H 3C 2O 2 G 300.00 5000.00 1442.00 1
++1.00960096E+01+7.19887066E-03-2.59813465E-06+4.18110812E-10-2.48723387E-14 2
+-2.36389018E+04-2.71144175E+01+2.31031671E+00+1.80474065E-02-2.71519637E-06 3
+-4.60918579E-09+1.70037078E-12-2.02910878E+04+1.71549722E+01 4
+HE HE 1 G 300.00 5000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
+-7.45375000E+02+9.15348900E-01+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00-7.45375000E+02+9.15348800E-01 4
+C3H8 H 8C 3 G 300.00 5000.00 1387.00 1
++9.31450083E+00+1.73577154E-02-5.94222386E-06+9.22939762E-10-5.35576604E-14 2
+-1.77234234E+04-2.89241517E+01-3.08230087E-01+3.65331801E-02-1.97610926E-05 3
++5.15283344E-09-5.06336649E-13-1.39792198E+04+2.40478733E+01 4
+IC3H7 C 3H 7 G 300.00 5000.00 1373.00 1
++8.14705217E+00+1.58727106E-02-5.44611541E-06+8.47207689E-10-4.92178752E-14 2
++6.18073367E+03-1.91980850E+01+1.63417589E+00+2.40171372E-02-4.72808067E-06 3
+-3.24354603E-09+1.23539044E-12+9.20752889E+03+1.83848082E+01 4
+NC3H7 C 3H 7 G 300.00 5000.00 1386.00 1
++8.88635047E+00+1.52273279E-02-5.21905860E-06+8.11259208E-10-4.71028059E-14 2
++7.34671584E+03-2.30727791E+01+4.74365329E-01+3.19190367E-02-1.71909780E-05 3
++4.45927887E-09-4.36675398E-13+1.06314565E+04+2.32670929E+01 4
+C3H6 C 3H 6 G 300.00 5000.00 1388.00 1
++8.01595958E+00+1.37023634E-02-4.66249733E-06+7.21254402E-10-4.17370126E-14 2
+-1.76749303E+03-2.00160668E+01+3.94615444E-01+2.89107662E-02-1.54886808E-05 3
++3.88814209E-09-3.37890352E-13+1.17760132E+03+2.19003736E+01 4
+C3H5-A H 5C 3 G 300.00 5000.00 1397.00 1
++8.45883958E+00+1.12695483E-02-3.83792864E-06+5.94059119E-10-3.43918030E-14 2
++1.64683289E+04-2.32704266E+01-5.29131958E-01+3.34559100E-02-2.53401027E-05 3
++1.02865754E-08-1.73258340E-12+1.94941423E+04+2.46172315E+01 4
+C3H5-S H 5C 3 G 300.00 5000.00 1390.00 1
++7.88765879E+00+1.13012591E-02-3.84213130E-06+5.93982677E-10-3.43567175E-14 2
++2.83484913E+04-1.74291589E+01+1.32807335E+00+2.53107914E-02-1.51530439E-05 3
++4.74345565E-09-6.24666084E-13+3.07981100E+04+1.83328787E+01 4
+C3H5-T H 5C 3 G 300.00 5000.00 1382.00 1
++7.37492443E+00+1.17510061E-02-4.00021283E-06+6.18947395E-10-3.58215018E-14 2
++2.73982108E+04-1.43478655E+01+2.17916644E+00+2.03826623E-02-7.91413834E-06 3
++4.76906187E-10+2.70398536E-13+2.96002535E+04+1.48785684E+01 4
+C3H4-P C 3H 4 G 300.00 4000.00 1400.00 1
++9.76810200E+00+5.21915100E-03-3.75314000E-07-2.99219100E-10+5.10787800E-14 2
++1.86027700E+04-3.02067800E+01+3.02973000E+00+1.49896100E-02-1.39850000E-06 3
+-3.96961900E-09+1.38821700E-12+2.14840800E+04+8.00459400E+00 4
+C3H4-A C 3H 4 G 300.00 4000.00 1400.00 1
++9.77625600E+00+5.30213800E-03-3.70111800E-07-3.02638600E-10+5.08958100E-14 2
++1.95497200E+04-3.07706100E+01+2.53983100E+00+1.63343700E-02-1.76495000E-06 3
+-4.64736500E-09+1.72913100E-12+2.25124300E+04+9.93570200E+00 4
+C3H3 H 3C 3 G 300.00 4000.00 1000.00 1
++8.83104700E+00+4.35719500E-03-4.10906700E-07-2.36872300E-10+4.37652000E-14 2
++3.84742000E+04-2.17791900E+01+4.75420000E+00+1.10802800E-02+2.79332300E-07 3
+-5.47921200E-09+1.94962900E-12+3.98888300E+04+5.85454900E-01 4
+C3H2 C 3H 2 G 150.00 4000.00 1000.00 1
++7.67098100E+00+2.74874900E-03-4.37094300E-07-6.45559900E-11+1.66388700E-14 2
++6.25972200E+04-1.23689000E+01+3.16671400E+00+2.48257200E-02-4.59163700E-05 3
++4.26801900E-08-1.48215200E-11+6.35042100E+04+8.86944600E+00 4
+C3H5O O 1H 5C 3 G 300.00 5000.00 1380.00 1
++1.02551752E+01+1.14983720E-02-3.84645659E-06+5.88910346E-10-3.38557923E-14 2
++6.26560810E+03-2.77655042E+01+1.19822582E+00+3.05579837E-02-1.80630276E-05 3
++4.86150033E-09-4.19854562E-13+9.58217784E+03+2.15566221E+01 4
+C3H6OOH1-2 O 2C 3H 7 G 300.00 5000.00 1402.00 1
++1.24605763E+01+1.58889526E-02-5.32742106E-06+8.15818791E-10-4.68723250E-14 2
+-4.20305196E+03-3.23858947E+01+2.87774562E+00+3.74166999E-02-2.36058063E-05 3
++7.79930860E-09-1.06042562E-12-7.82368119E+02+1.93941340E+01 4
+C3H6OOH1-3 O 2C 3H 7 G 300.00 5000.00 1384.00 1
++1.46881564E+01+1.49941200E-02-5.24056505E-06+8.25462711E-10-4.83758952E-14 2
+-4.77342863E+03-4.77984492E+01+1.88331465E+00+4.40156051E-02-3.07858462E-05 3
++1.13214862E-08-1.75323184E-12-1.68779168E+02+2.14040621E+01 4
+C3H6OOH2-1 O 2C 3H 7 G 300.00 5000.00 1407.00 1
++1.42163221E+01+1.43382450E-02-4.78004477E-06+7.29133134E-10-4.17761973E-14 2
+-5.67381620E+03-4.35770997E+01+2.09193950E+00+4.69220394E-02-3.90280831E-05 3
++1.72381453E-08-3.07968979E-12-1.89377918E+03+2.00178282E+01 4
+C3H6OOH1-2O2 O 4C 3H 7 G 300.00 5000.00 1386.00 1
++1.91759159E+01+1.59857013E-02-5.61306378E-06+8.86880495E-10-5.20877040E-14 2
+-2.64412115E+04-6.77512936E+01+2.65196584E+00+5.74638149E-02-4.72190867E-05 3
++2.05591557E-08-3.68787387E-12-2.08829371E+04+2.01547955E+01 4
+C3H6OOH1-3O2 O 4C 3H 7 G 300.00 5000.00 1382.00 1
++1.85916698E+01+1.65328553E-02-5.81343626E-06+9.19396939E-10-5.40320702E-14 2
+-2.39598698E+04-6.42544402E+01+3.14864588E+00+5.33542571E-02-4.08330611E-05 3
++1.67542220E-08-2.89288326E-12-1.85473645E+04+1.86305431E+01 4
+C3H6OOH2-1O2 O 4C 3H 7 G 300.00 5000.00 1386.00 1
++1.91759159E+01+1.59857013E-02-5.61306378E-06+8.86880495E-10-5.20877040E-14 2
+-2.64412115E+04-6.77512936E+01+2.65196584E+00+5.74638149E-02-4.72190867E-05 3
++2.05591557E-08-3.68787387E-12-2.08829371E+04+2.01547955E+01 4
+C3H6OOH2-2 O 2C 3H 7 G 300.00 5000.00 1407.00 1
++1.42163221E+01+1.43382450E-02-4.78004477E-06+7.29133134E-10-4.17761973E-14 2
+-5.67381620E+03-4.35770997E+01+2.09193950E+00+4.69220394E-02-3.90280831E-05 3
++1.72381453E-08-3.07968979E-12-1.89377918E+03+2.00178282E+01 4
+NC3H7O2H H 8C 3O 2 G 300.00 5000.00 1385.00 1
++1.50895501E+01+1.71714707E-02-5.98498879E-06+9.40964412E-10-5.50728381E-14 2
+-2.98352445E+04-5.28090166E+01+1.13366696E+00+4.84919904E-02-3.31801457E-05 3
++1.19308278E-08-1.80905372E-12-2.47845493E+04+2.27256088E+01 4
+IC3H7O2H H 8C 3O 2 G 300.00 5000.00 1389.00 1
++1.57046391E+01+1.65924516E-02-5.77250934E-06+9.06453070E-10-5.30084111E-14 2
+-3.23268564E+04-5.71735156E+01+5.19265570E-01+5.32111228E-02-4.05156892E-05 3
++1.63346713E-08-2.73751233E-12-2.71048486E+04+2.40815065E+01 4
+NC3H7O2 O 2C 3H 7 G 300.00 5000.00 1384.00 1
++1.26327059E+01+1.69910726E-02-5.88866873E-06+9.22195396E-10-5.38230675E-14 2
+-1.19194652E+04-3.85349297E+01+2.10731492E+00+3.96164986E-02-2.49491599E-05 3
++8.59450300E-09-1.31240330E-12-7.93745567E+03+1.89082748E+01 4
+IC3H7O2 O 2C 3H 7 G 300.00 5000.00 1388.00 1
++1.32493493E+01+1.64082190E-02-5.67432062E-06+8.87336340E-10-5.17361535E-14 2
+-1.44109855E+04-4.29066213E+01+1.49941639E+00+4.43081205E-02-3.22414456E-05 3
++1.29687136E-08-2.23370569E-12-1.02587980E+04+2.02336490E+01 4
+NC3H7O O 1C 3H 7 G 300.00 5000.00 1398.00 1
++1.14771726E+01+1.54936722E-02-5.29459014E-06+8.21476970E-10-4.76382658E-14 2
+-1.03998532E+04-3.53681150E+01-2.16869993E-01+4.14789744E-02-2.68724173E-05 3
++8.76685704E-09-1.13947550E-12-6.21358042E+03+2.78942641E+01 4
+IC3H7O O 1C 3H 7 G 300.00 5000.00 1393.00 1
++1.23135031E+01+1.38062606E-02-4.91585531E-06+8.21075632E-10-5.07493001E-14 2
+-1.24717023E+04-4.17270532E+01-8.18260771E-01+4.68807147E-02-3.74369377E-05 3
++1.55917264E-08-2.64308171E-12-8.15153216E+03+2.79483196E+01 4
+C3H6O1-2 O 1C 3H 6 G 300.00 5000.00 1379.00 1
++1.19825289E+01+1.23964696E-02-4.39113813E-06+6.97911182E-10-4.11585127E-14 2
+-1.69739189E+04-4.22894035E+01-1.21988153E+00+4.28578772E-02-3.17530249E-05 3
++1.21763736E-08-1.94154303E-12-1.22953761E+04+2.88467826E+01 4
+C3H6O1-3 O 1C 3H 6 G 300.00 5000.00 2035.00 1
++1.02363953E+01+1.50514705E-02-5.63636534E-06+9.32463455E-10-5.66102441E-14 2
+-1.46212029E+04-3.36724732E+01-2.75717996E+00+4.26371602E-02-2.56831231E-05 3
++6.62981208E-09-5.31193325E-13-1.00990375E+04+3.67181804E+01 4
+C3KET12 O 3C 3H 6 G 300.00 5000.00 1388.00 1
++1.70756225E+01+1.31013491E-02-4.61949408E-06+7.31991329E-10-4.30788679E-14 2
+-4.17008637E+04-5.95778952E+01+1.10507238E+00+5.27396706E-02-4.31805774E-05 3
++1.81618292E-08-3.10535568E-12-3.63627536E+04+2.54111636E+01 4
+C3KET13 O 3C 3H 6 G 300.00 5000.00 1379.00 1
++1.58927479E+01+1.40990923E-02-4.96118851E-06+7.84992198E-10-4.61488928E-14 2
+-3.93774829E+04-5.26049341E+01+3.55241022E+00+4.18720270E-02-2.94550370E-05 3
++1.09982900E-08-1.75045977E-12-3.48902671E+04+1.42082894E+01 4
+C3KET21 O 3C 3H 6 G 300.00 5000.00 1371.00 1
++1.56377776E+01+1.44059342E-02-5.08808082E-06+8.07076119E-10-4.75295650E-14 2
+-4.30657975E+04-5.13105869E+01+4.55686367E+00+3.57076837E-02-1.94712054E-05 3
++4.70695431E-09-3.69753807E-13-3.86710975E+04+9.97761694E+00 4
+C3H51-2,3OOH O 4C 3H 7 G 300.00 5000.00 1386.00 1
++2.12378169E+01+1.39519596E-02-4.94539222E-06+7.86381389E-10-4.63925564E-14 2
+-1.92864584E+04-7.69636561E+01+2.55619708E+00+6.13504487E-02-5.23205391E-05 3
++2.28208029E-08-4.02231508E-12-1.31353414E+04+2.21043799E+01 4
+C3H52-1,3OOH O 4C 3H 7 G 300.00 5000.00 1379.00 1
++2.02817964E+01+1.48155431E-02-5.25503386E-06+8.35963453E-10-4.93308915E-14 2
+-1.80085066E+04-7.22688262E+01+4.12253742E+00+5.19553611E-02-3.83733727E-05 3
++1.45851637E-08-2.29820536E-12-1.22759164E+04+1.48367359E+01 4
+C3H6OH O 1C 3H 7 G 300.00 5000.00 1674.00 1
++9.31287816E+00+1.67579212E-02-5.75555480E-06+9.00584362E-10-5.26566836E-14 2
+-1.20169635E+04-1.95011064E+01+1.20494302E+00+3.30857885E-02-1.63893637E-05 3
++3.18103918E-09-6.84229288E-14-9.12961720E+03+2.47155202E+01 4
+HOC3H6O2 O 3C 3H 7 G 300.00 5000.00 1397.00 1
++1.42691004E+01+1.71837825E-02-5.83419536E-06+9.00994191E-10-5.20716210E-14 2
+-3.14501750E+04-4.15295035E+01+3.06954289E+00+4.43105640E-02-3.18636260E-05 3
++1.26409287E-08-2.12751901E-12-2.75893676E+04+1.83891218E+01 4
+CH3CHCO O 1C 3H 4 G 300.00 5000.00 1400.00 1
++1.00219123E+01+9.56966300E-03-3.26221644E-06+5.05231706E-10-2.92593257E-14 2
+-1.42482738E+04-2.77829973E+01+1.48380119E+00+3.22203013E-02-2.70250033E-05 3
++1.20499164E-08-2.18365931E-12-1.15276540E+04+1.71552068E+01 4
+AC3H5OOH C 3H 6O 2 G 300.00 5000.00 1394.00 1
++1.36837693E+01+1.33968049E-02-4.61533631E-06+7.19988958E-10-4.19109988E-14 2
+-1.33165248E+04-4.31904193E+01+2.43934647E+00+4.02070638E-02-2.95322679E-05 3
++1.14715600E-08-1.85170511E-12-9.43679906E+03+1.70549969E+01 4
+C2H3OOH O 2C 2H 4 G 300.00 5000.00 1397.00 1
++1.15749951E+01+8.09909174E-03-2.81808668E-06+4.42697954E-10-2.58998042E-14 2
+-8.84852664E+03-3.43859117E+01+1.35644398E+00+3.37002447E-02-2.75988500E-05 3
++1.14222854E-08-1.89488886E-12-5.49996692E+03+1.98354466E+01 4
+C4H10 H 10C 4 G 300.00 5000.00 1392.00 1
++1.24940183E+01+2.17726258E-02-7.44272215E-06+1.15487023E-09-6.69712949E-14 2
+-2.18403437E+04-4.45558921E+01-4.55756824E-01+4.80323389E-02-2.65497552E-05 3
++6.92544700E-09-6.38317504E-13-1.68960904E+04+2.64870966E+01 4
+C4H8-1 H 8C 4 G 300.00 5000.00 1391.00 1
++1.13456574E+01+1.80843428E-02-6.17276514E-06+9.56925815E-10-5.54586212E-14 2
+-5.88659450E+03-3.64627206E+01-8.33377133E-01+4.54141123E-02-2.97609030E-05 3
++1.03518354E-08-1.51975733E-12-1.49161811E+03+2.94327905E+01 4
+C4H8-2 H 8C 4 G 300.00 5000.00 1384.00 1
++1.07864376E+01+1.84629194E-02-6.28289490E-06+9.72052191E-10-5.62579166E-14 2
+-7.11649782E+03-3.44892763E+01+6.69213599E-01+3.76839941E-02-1.85689683E-05 3
++3.69571062E-09-1.03095209E-13-3.11675402E+03+2.14868169E+01 4
+PC4H9 C 4H 9 G 300.00 5000.00 1391.00 1
++1.20779744E+01+1.96264778E-02-6.71302199E-06+1.04206424E-09-6.04469282E-14 2
++3.22550473E+03-3.87719384E+01+3.20730933E-01+4.34654454E-02-2.40584970E-05 3
++6.28245308E-09-5.80113166E-13+7.71490893E+03+2.57301085E+01 4
+SC4H9 C 4H 9 G 300.00 5000.00 1381.00 1
++1.16934304E+01+1.96402287E-02-6.65306517E-06+1.02631895E-09-5.92826294E-14 2
++1.96382429E+03-3.61626672E+01+8.49159986E-01+3.82085320E-02-1.49626797E-05 3
++2.04499211E-10+8.24254437E-13+6.38832956E+03+2.44466606E+01 4
+C4H71-1 C 4H 7 G 300.00 5000.00 1393.00 1
++1.12162042E+01+1.56658034E-02-5.34224661E-06+8.27633431E-10-4.79428797E-14 2
++2.41404271E+04-3.38119007E+01+1.19943124E-01+4.15804401E-02-2.89254150E-05 3
++1.08174803E-08-1.70622296E-12+2.80390734E+04+2.58581923E+01 4
+C4H71-2 C 4H 7 G 300.00 5000.00 1389.00 1
++1.07092407E+01+1.61102825E-02-5.49846133E-06+8.52304018E-10-4.93905022E-14 2
++2.31874323E+04-3.07648054E+01+9.64124370E-01+3.66781354E-02-2.17105448E-05 3
++6.55880219E-09-8.11791145E-13+2.68423270E+04+2.24365633E+01 4
+C4H71-3 C 4H 7 G 300.00 5000.00 1392.00 1
++1.09470170E+01+1.63724387E-02-5.59896200E-06+8.69147693E-10-5.04214389E-14 2
++1.11181741E+04-3.54908400E+01-1.12475112E+00+4.34882854E-02-2.87750454E-05 3
++9.88046971E-09-1.40120341E-12+1.54420160E+04+2.97651156E+01 4
+C4H71-4 C 4H 7 G 300.00 5000.00 1392.00 1
++1.09215027E+01+1.59294073E-02-5.43642246E-06+8.42695797E-10-4.88353299E-14 2
++1.90921144E+04-3.12721325E+01-4.09581101E-02+4.06024409E-02-2.67339769E-05 3
++9.28995844E-09-1.35368138E-12+2.30309664E+04+2.79985374E+01 4
+C4H72-2 C 4H 7 G 300.00 5000.00 1379.00 1
++1.01554133E+01+1.65013248E-02-5.61672328E-06+8.69103603E-10-5.03037094E-14 2
++2.18242102E+04-2.81884706E+01+2.43874352E+00+2.92295980E-02-1.10907624E-05 3
++3.35089369E-10+4.95669524E-13+2.50864168E+04+1.52219548E+01 4
+C4H6 H 6C 4 G 300.00 5000.00 1398.00 1
++1.11633789E+01+1.37163965E-02-4.69715783E-06+7.29693836E-10-4.23486203E-14 2
++7.79039770E+03-3.69847949E+01-1.43095121E+00+4.78706062E-02-4.15446800E-05 3
++1.91549552E-08-3.57158507E-12+1.17551314E+04+2.90825833E+01 4
+PC4H9O2H H 10C 4O 2 G 300.00 5000.00 1387.00 1
++1.82687454E+01+2.16940079E-02-7.54629828E-06+1.18484806E-09-6.92818498E-14 2
+-3.39441633E+04-6.84816300E+01+6.34644286E-01+6.20007657E-02-4.34477749E-05 3
++1.61407616E-08-2.53121507E-12-2.76345805E+04+2.67026090E+01 4
+SC4H9O2H H 10C 4O 2 G 300.00 5000.00 1390.00 1
++1.88587916E+01+2.11200987E-02-7.33205568E-06+1.14969842E-09-6.71656991E-14 2
+-3.64236058E+04-7.20026458E+01+3.40587657E-01+6.52078069E-02-4.84840460E-05 3
++1.91011830E-08-3.13833073E-12-3.00007960E+04+2.72835451E+01 4
+PC4H9O2 O 2C 4H 9 G 300.00 5000.00 1385.00 1
++1.57845448E+01+2.15210910E-02-7.44909017E-06+1.16558071E-09-6.79885609E-14 2
+-1.60146054E+04-5.40388525E+01+1.94363650E+00+5.15513163E-02-3.28284400E-05 3
++1.13064860E-08-1.70118606E-12-1.08358103E+04+2.13503149E+01 4
+SC4H9O2 O 2C 4H 9 G 300.00 5000.00 1389.00 1
++1.64031135E+01+2.09361006E-02-7.23393011E-06+1.13058996E-09-6.58938667E-14 2
+-1.85074517E+04-5.77331636E+01+1.32689044E+00+5.62785583E-02-4.01717786E-05 3
++1.57120967E-08-2.62948443E-12-1.31557057E+04+2.34069659E+01 4
+PC4H9O O 1C 4H 9 G 300.00 5000.00 1403.00 1
++1.49315588E+01+1.95927054E-02-6.66958265E-06+1.03222635E-09-5.97583630E-14 2
+-1.46178979E+04-5.25561919E+01-4.99964924E-01+5.37157310E-02-3.44426650E-05 3
++1.08145957E-08-1.29600044E-12-9.11644218E+03+3.09183423E+01 4
+SC4H9O O 1C 4H 9 G 300.00 5000.00 1679.00 1
++1.43323395E+01+2.04542365E-02-7.12271896E-06+1.12545447E-09-6.62697853E-14 2
+-1.60006806E+04-5.02030895E+01-4.09000900E-01+5.38573427E-02-3.39105695E-05 3
++1.01023834E-08-1.11268025E-12-1.11109627E+04+2.88554742E+01 4
+C4H7O O 1C 4H 7 G 300.00 5000.00 1395.00 1
++1.53137780E+01+1.43427017E-02-4.81625517E-06+7.39574839E-10-4.26140814E-14 2
+-7.29342884E+02-5.52937859E+01-1.60619192E+00+5.58562682E-02-4.35595767E-05 3
++1.70589279E-08-2.65635180E-12+4.85090326E+03+3.47112559E+01 4
+C4H8O1-2 H 8O 1C 4 G 300.00 5000.00 1399.00 1
++1.39197290E+01+1.85551492E-02-6.36014179E-06+9.88844645E-10-5.74274779E-14 2
+-2.09452548E+04-5.06788231E+01-2.42033073E+00+5.79308508E-02-4.30236499E-05 3
++1.66679793E-08-2.64714350E-12-1.53950880E+04+3.66425242E+01 4
+C4H8O1-3 H 8O 1C 4 G 300.00 5000.00 1371.00 1
++1.54227092E+01+1.70211052E-02-6.06347951E-06+9.67354762E-10-5.71992419E-14 2
+-2.20194174E+04-6.13871862E+01-2.53690104E+00+5.43995707E-02-3.43390305E-05 3
++1.01079922E-08-1.10262736E-12-1.52980680E+04+3.67400719E+01 4
+C4H8O1-4 H 8O 1C 4 G 300.00 5000.00 1361.00 1
++1.42360731E+01+1.81176105E-02-6.46263809E-06+1.03194372E-09-6.10557331E-14 2
+-2.99478670E+04-5.52081041E+01-3.28505561E+00+5.04800902E-02-2.51998984E-05 3
++3.65743744E-09+3.94863161E-13-2.30067422E+04+4.19349253E+01 4
+C4H8O2-3 H 8O 1C 4 G 300.00 5000.00 1384.00 1
++1.58263859E+01+1.64400938E-02-5.80680311E-06+9.21146000E-10-5.42511002E-14 2
+-2.35334573E+04-6.34844562E+01-2.98701197E+00+6.32678880E-02-5.20855777E-05 3
++2.24064364E-08-3.95416618E-12-1.71957196E+04+3.66920390E+01 4
+PC4H8OH O 1C 4H 9 G 300.00 5000.00 1503.00 1
++1.40357398E+01+1.94173155E-02-6.50230141E-06+9.95481694E-10-5.72034525E-14 2
+-1.67631276E+04-4.41162528E+01+1.20329680E+00+4.40218297E-02-2.12295754E-05 3
++3.03714993E-09+3.72027554E-13-1.18622440E+04+2.65515175E+01 4
+SC4H8OH O 1C 4H 9 G 300.00 5000.00 1392.00 1
++1.48421985E+01+1.78435665E-02-6.16709050E-06+1.00443458E-09-6.10697983E-14 2
+-1.81714637E+04-4.96976895E+01-1.04565044E+00+5.72423420E-02-4.43109142E-05 3
++1.80944672E-08-3.02843329E-12-1.28718032E+04+3.48383489E+01 4
+C4H8OH-1O2 O 3C 4H 9 G 300.00 5000.00 1396.00 1
++1.74383247E+01+2.16778876E-02-7.37772628E-06+1.14128811E-09-6.60391451E-14 2
+-3.55892620E+04-5.71247140E+01+2.88497398E+00+5.63287929E-02-3.98403503E-05 3
++1.53891643E-08-2.51940787E-12-3.05246721E+04+2.09293355E+01 4
+C4H8OH-2O2 O 3C 4H 9 G 300.00 5000.00 1399.00 1
++1.82942871E+01+2.09395389E-02-7.12096934E-06+1.10103094E-09-6.36889768E-14 2
+-3.80505855E+04-6.29154326E+01+2.10003504E+00+6.17528218E-02-4.77238541E-05 3
++1.99145784E-08-3.44416275E-12-3.26698755E+04+2.30901271E+01 4
+C4H8OOH1-1 O 2C 4H 9 G 300.00 5000.00 1379.00 1
++1.80477436E+01+1.92137176E-02-6.66503008E-06+1.04468117E-09-6.10170737E-14 2
+-1.23069570E+04-6.33580990E+01+4.36087539E+00+4.46153162E-02-2.14784588E-05 3
++3.14619957E-09+3.03152649E-13-6.89950326E+03+1.24757248E+01 4
+C4H8OOH1-2 O 2C 4H 9 G 300.00 5000.00 1393.00 1
++1.58327906E+01+2.07220436E-02-7.09869028E-06+1.10302045E-09-6.40251984E-14 2
+-8.53034314E+03-5.04399828E+01+1.51698234E+00+5.44584331E-02-3.84524319E-05 3
++1.48145523E-08-2.42809434E-12-3.49728423E+03+2.64916926E+01 4
+C4H8OOH1-3 O 2C 4H 9 G 300.00 5000.00 1377.00 1
++1.76442170E+01+1.91706536E-02-6.57168641E-06+1.02246571E-09-5.94304735E-14 2
+-1.01859280E+04-6.17115813E+01+1.94106276E+00+5.18789351E-02-3.10411683E-05 3
++8.63568881E-09-8.42841994E-13-4.34315962E+03+2.40230471E+01 4
+C4H8OOH1-4 O 2C 4H 9 G 300.00 5000.00 1386.00 1
++1.78623700E+01+1.95212501E-02-6.80351173E-06+1.06960529E-09-6.26000540E-14 2
+-8.87923008E+03-6.34393359E+01+1.45017084E+00+5.72418991E-02-4.06431218E-05 3
++1.52821793E-08-2.42123218E-12-3.02905522E+03+2.50737890E+01 4
+C4H8OOH2-1 O 2C 4H 9 G 300.00 5000.00 1390.00 1
++1.84555673E+01+1.89543719E-02-6.59381457E-06+1.03538370E-09-6.05467101E-14 2
+-1.13637100E+04-6.69839138E+01+1.01711681E+00+6.10560866E-02-4.65789185E-05 3
++1.88024138E-08-3.15265575E-12-5.37391474E+03+2.63059691E+01 4
+C4H8OOH2-2 O 2C 4H 9 G 300.00 5000.00 1383.00 1
++1.63837700E+01+2.04422768E-02-7.04524557E-06+1.09927552E-09-6.39967086E-14 2
+-1.45616229E+04-5.33147431E+01+4.40329034E+00+4.30478989E-02-2.14076129E-05 3
++4.28267268E-09-1.27804885E-13-9.79432029E+03+1.30514046E+01 4
+C4H8OOH2-3 O 2C 4H 9 G 300.00 5000.00 1387.00 1
++1.79338472E+01+1.92153623E-02-6.64486961E-06+1.03940007E-09-6.06239862E-14 2
+-1.25767913E+04-6.36194089E+01+1.45436266E+00+5.63121286E-02-3.84161425E-05 3
++1.34229297E-08-1.92382914E-12-6.68916116E+03+2.54247554E+01 4
+C4H8OOH2-4 O 2C 4H 9 G 300.00 5000.00 1390.00 1
++1.84555673E+01+1.89543719E-02-6.59381457E-06+1.03538370E-09-6.05467101E-14 2
+-1.13637100E+04-6.69839138E+01+1.01711681E+00+6.10560866E-02-4.65789185E-05 3
++1.88024138E-08-3.15265575E-12-5.37391474E+03+2.63059691E+01 4
+C4H8OOH1-2O2 O 4C 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH1-3O2 O 4C 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH1-4O2 O 4C 4H 9 G 300.00 5000.00 1383.00 1
++2.17116470E+01+2.11216172E-02-7.40101448E-06+1.16772959E-09-6.85139846E-14 2
+-2.80483124E+04-7.95885249E+01+3.12351717E+00+6.46725908E-02-4.78357914E-05 3
++1.89656817E-08-3.18025828E-12-2.14664300E+04+2.04322494E+01 4
+C4H8OOH2-1O2 O 4C 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH2-3O2 O 4C 4H 9 G 300.00 5000.00 1389.00 1
++2.29951044E+01+1.99238919E-02-6.96326765E-06+1.09677832E-09-6.42747281E-14 2
+-3.30095408E+04-8.71461958E+01+2.19248006E+00+7.36763430E-02-6.24428300E-05 3
++2.79371307E-08-5.10126013E-12-2.61773538E+04+2.29568752E+01 4
+C4H8OOH2-4O2 O 4C 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+NC4KET12 O 3H 8C 4 G 300.00 5000.00 1388.00 1
++2.02458485E+01+1.76440360E-02-6.19054598E-06+9.77688024E-10-5.74053258E-14 2
+-4.58141511E+04-7.52145443E+01+8.05387149E-01+6.52375119E-02-5.18373651E-05 3
++2.13454896E-08-3.59860255E-12-3.92395961E+04+2.84908472E+01 4
+NC4KET13 O 3H 8C 4 G 300.00 5000.00 1386.00 1
++1.96430808E+01+1.80940566E-02-6.33063232E-06+9.97860399E-10-5.85076458E-14 2
+-4.59588851E+04-7.16905094E+01+2.74883461E+00+5.86936745E-02-4.49605895E-05 3
++1.83200130E-08-3.11765369E-12-4.01065878E+04+1.88072090E+01 4
+NC4KET14 O 3H 8C 4 G 300.00 5000.00 1382.00 1
++1.90283822E+01+1.86604765E-02-6.53616227E-06+1.03102482E-09-6.04833256E-14 2
+-4.34678787E+04-6.80210373E+01+3.40797147E+00+5.37386096E-02-3.72613233E-05 3
++1.36862855E-08-2.13798779E-12-3.77919233E+04+1.65580190E+01 4
+NC4KET21 O 3H 8C 4 G 300.00 5000.00 1376.00 1
++1.86231473E+01+1.90969401E-02-6.70745998E-06+1.05994690E-09-6.22564248E-14 2
+-4.71929933E+04-6.55477892E+01+4.69785973E+00+4.83859623E-02-3.05576939E-05 3
++1.02705744E-08-1.51713483E-12-4.18665528E+04+1.06715264E+01 4
+NC4KET23 O 3H 8C 4 G 300.00 5000.00 1387.00 1
++1.99512969E+01+1.79558596E-02-6.31230878E-06+9.98217386E-10-5.86636973E-14 2
+-4.95585495E+04-7.43071328E+01+4.50575961E-01+6.48862527E-02-5.04446464E-05 3
++2.03085220E-08-3.35952497E-12-4.28779359E+04+3.00153676E+01 4
+NC4KET24 O 3H 8C 4 G 300.00 5000.00 1380.00 1
++1.87707201E+01+1.89490823E-02-6.65182145E-06+1.05080860E-09-6.17069393E-14 2
+-4.72319802E+04-6.73335107E+01+2.93007283E+00+5.39296076E-02-3.66164919E-05 3
++1.30880106E-08-1.99245456E-12-4.14118815E+04+1.86567511E+01 4
+C2H5COCH3 H 8O 1C 4 G 300.00 5000.00 1381.00 1
++1.29004080E+01+1.92211770E-02-6.63870986E-06+1.03733411E-09-6.04509514E-14 2
+-3.52062426E+04-4.20803599E+01+1.60664724E+00+4.13951332E-02-2.23585444E-05 3
++5.78456048E-09-5.69530338E-13-3.07586009E+04+2.02429671E+01 4
+C2H5COCH2 O 1C 4H 7 G 300.00 5000.00 1383.00 1
++1.42098738E+01+1.57866459E-02-5.50529183E-06+8.65870540E-10-5.06913329E-14 2
+-1.41284951E+04-4.87132911E+01+1.54013856E+00+4.39486258E-02-2.97002421E-05 3
++1.05495313E-08-1.58598769E-12-9.50796505E+03+1.99706641E+01 4
+CH2CH2COCH3 O 1C 4H 7 G 300.00 5000.00 1380.00 1
++1.24694368E+01+1.71022143E-02-5.92156726E-06+9.26816806E-10-5.40730504E-14 2
+-1.01378242E+04-3.62186375E+01+2.40255609E+00+3.67294268E-02-1.97316510E-05 3
++5.07323216E-09-4.99655275E-13-6.15006886E+03+1.93993386E+01 4
+CH3CHCOCH3 O 1C 4H 7 G 300.00 5000.00 1384.00 1
++1.31388032E+01+1.66091073E-02-5.76924215E-06+9.04978165E-10-5.28826527E-14 2
+-1.51162098E+04-4.38876580E+01+8.12941079E-01+4.29256944E-02-2.69230252E-05 3
++8.59326807E-09-1.13188129E-12-1.05247481E+04+2.32952685E+01 4
+C2H3COCH3 H 6O 1C 4 G 300.00 5000.00 1386.00 1
++1.25571995E+01+1.49672645E-02-5.20015351E-06+8.15864365E-10-4.76824406E-14 2
+-2.14622958E+04-4.01434299E+01+2.45578501E-01+4.26432049E-02-2.91126822E-05 3
++1.03478392E-08-1.53551381E-12-1.70305379E+04+2.64430799E+01 4
+CH3CHOOCOCH3 O 3C 4H 7 G 300.00 5000.00 1393.00 1
++1.72170832E+01+1.76740453E-02-6.10387321E-06+9.53711693E-10-5.55757409E-14 2
+-3.05280370E+04-5.67959657E+01+1.59405312E+00+5.74729487E-02-4.65071459E-05 3
++2.01816805E-08-3.61175600E-12-2.53445178E+04+2.60857480E+01 4
+CH2CHOOHCOCH3 O 3C 4H 7 G 300.00 5000.00 1394.00 1
++1.93158016E+01+1.56592602E-02-5.45395604E-06+8.57160086E-10-5.01582885E-14 2
+-2.47752201E+04-6.70296581E+01+1.55204769E+00+6.08201262E-02-5.04704383E-05 3
++2.16347587E-08-3.75674081E-12-1.89563540E+04+2.71011896E+01 4
+NC3H7CHO H 8O 1C 4 G 300.00 5000.00 1378.00 1
++1.35988068E+01+1.81652474E-02-6.17844458E-06+9.55980208E-10-5.53442958E-14 2
+-3.15845348E+04-4.51790228E+01+1.87415959E+00+4.19240315E-02-2.35148779E-05 3
++6.26913673E-09-6.09443908E-13-2.71032194E+04+1.91568574E+01 4
+NC3H7CO O 1C 4H 7 G 300.00 5000.00 1380.00 1
++1.30026331E+01+1.63104877E-02-5.57642899E-06+8.65670629E-10-5.02255667E-14 2
+-1.25523385E+04-4.02608515E+01+2.67256826E+00+3.71198825E-02-2.06862859E-05 3
++5.48873888E-09-5.35864183E-13-8.58050888E+03+1.64848950E+01 4
+C3H6CHO-1 O 1C 4H 7 G 300.00 5000.00 1379.00 1
++1.30322954E+01+1.62418373E-02-5.54388124E-06+8.59723685E-10-4.98459726E-14 2
+-6.45915975E+03-3.92399021E+01+2.67672303E+00+3.73064128E-02-2.11281405E-05 3
++5.80472681E-09-6.09688236E-13-2.49714183E+03+1.75750933E+01 4
+C3H6CHO-2 O 1C 4H 7 G 300.00 5000.00 1682.00 1
++1.11942816E+01+1.81806772E-02-6.35916662E-06+1.00727333E-09-5.93943618E-14 2
+-6.86826460E+03-2.80298956E+01+2.95067531E+00+3.34223079E-02-1.45356815E-05 3
++1.67282048E-09+2.62011555E-13-3.79034324E+03+1.74324072E+01 4
+C3H6CHO-3 O 1C 4H 7 G 300.00 5000.00 1387.00 1
++1.34301738E+01+1.62250792E-02-5.60631713E-06+8.76356273E-10-5.10864241E-14 2
+-1.13561098E+04-4.47371262E+01+1.35168659E+00+4.23714083E-02-2.69123192E-05 3
++8.70132567E-09-1.15287455E-12-6.91166610E+03+2.09381509E+01 4
+C2H5CHCO H 6O 1C 4 G 300.00 5000.00 1400.00 1
++1.34100537E+01+1.38766678E-02-4.74130143E-06+7.35504188E-10-4.26457752E-14 2
+-1.83790837E+04-4.45295352E+01+2.76600655E-01+4.82966593E-02-4.02376928E-05 3
++1.76564254E-08-3.14365357E-12-1.41717351E+04+2.47118671E+01 4
+SC3H5CHO H 6O 1C 4 G 300.00 5000.00 1390.00 1
++1.31695904E+01+1.42484434E-02-4.90843998E-06+7.65789041E-10-4.45834896E-14 2
+-2.04032613E+04-4.43673205E+01+4.35795171E-01+4.48719314E-02-3.36582931E-05 3
++1.33066870E-08-2.17839128E-12-1.60394651E+04+2.37597452E+01 4
+SC3H5CO O 1H 5C 4 G 300.00 5000.00 1392.00 1
++1.25514754E+01+1.22521948E-02-4.22382101E-06+6.59184896E-10-3.83818826E-14 2
+-4.25349795E+03-4.02864145E+01+1.74191343E+00+3.97229536E-02-3.20061901E-05 3
++1.38227925E-08-2.46272017E-12-6.64428100E+02+1.70762023E+01 4
+CH2CH2CHO O 1H 5C 3 G 300.00 5000.00 1363.00 1
++9.96855598E+00+1.61917946E-02-6.64161740E-06+1.15444520E-09-7.21981790E-14 2
+-4.16450354E+03-2.73971573E+01+8.36272659E+00-3.90712606E-03+3.59751257E-05 3
+-2.69209237E-08+5.98920261E-12-7.55243244E+02-9.53140102E+00 4
+IC4H10 H 10C 4 G 300.00 5000.00 1387.00 1
++1.25375828E+01+2.20249881E-02-7.59339274E-06+1.18498137E-09-6.89902468E-14 2
+-2.29421635E+04-4.67741623E+01-9.72807331E-01+5.08660928E-02-3.12355006E-05 3
++1.02057756E-08-1.44168766E-12-1.78542290E+04+2.69572545E+01 4
+IC4H9 C 4H 9 G 300.00 5000.00 1386.00 1
++1.21276930E+01+1.98689494E-02-6.85937004E-06+1.07141528E-09-6.24184609E-14 2
++2.11952051E+03-4.08727278E+01-2.21457835E-01+4.63756324E-02-2.88282920E-05 3
++9.60200646E-09-1.39021034E-12+6.76153637E+03+2.64801220E+01 4
+TC4H9 C 4H 9 G 300.00 5000.00 1372.00 1
++1.05855083E+01+2.11892055E-02-7.31668360E-06+1.14296173E-09-6.65898835E-14 2
++3.18311189E+02-3.20671258E+01+3.04300181E+00+2.91276259E-02-4.01386786E-06 3
+-4.90273974E-09+1.64014891E-12+4.04780980E+03+1.21127351E+01 4
+IC4H8 H 8C 4 G 300.00 5000.00 1388.00 1
++1.12258330E+01+1.81795798E-02-6.20348592E-06+9.61444458E-10-5.57088057E-14 2
+-7.90617899E+03-3.66411888E+01+9.38433173E-01+3.90547287E-02-2.16437148E-05 3
++5.87267077E-09-6.14435479E-13-3.95452013E+03+1.98337802E+01 4
+IC4H7 C 4H 7 G 300.00 5000.00 1393.00 1
++1.16382753E+01+1.57681299E-02-5.38538858E-06+8.35172927E-10-4.84141083E-14 2
++1.03408230E+04-3.90259890E+01-7.20881697E-04+4.36495730E-02-3.16385877E-05 3
++1.23984983E-08-2.04378360E-12+1.43654373E+04+2.33234340E+01 4
+TC4H9O2 O 2C 4H 9 G 300.00 5000.00 1388.00 1
++1.67061556E+01+2.07327780E-02-7.17596169E-06+1.12282473E-09-6.54941386E-14 2
+-2.04046924E+04-6.35558608E+01+1.08742583E+00+5.82780709E-02-4.33292697E-05 3
++1.76892535E-08-3.06769606E-12-1.49456640E+04+2.01871963E+01 4
+IC4H9O2 O 2C 4H 9 G 300.00 5000.00 1387.00 1
++1.59741221E+01+2.13534740E-02-7.39001105E-06+1.15624411E-09-6.74408046E-14 2
+-1.72329304E+04-5.65302409E+01+1.21434293E+00+5.45388311E-02-3.67001593E-05 3
++1.34131042E-08-2.11741793E-12-1.18482450E+04+2.34153048E+01 4
+TC4H8O2H-I O 2C 4H 9 G 300.00 5000.00 1405.00 1
++1.78060253E+01+1.84952716E-02-6.21268423E-06+9.52753962E-10-5.48010330E-14 2
+-1.17555816E+04-6.40180236E+01+1.57469723E+00+6.04648659E-02-4.84991814E-05 3
++2.05236181E-08-3.52974722E-12-6.54190901E+03+2.16852700E+01 4
+IC4H8O2H-I O 2C 4H 9 G 300.00 5000.00 1388.00 1
++1.80246456E+01+1.93668264E-02-6.74676496E-06+1.06040129E-09-6.20506445E-14 2
+-1.00858977E+04-6.57629693E+01+9.94784793E-01+5.89212240E-02-4.25202225E-05 3
++1.61370574E-08-2.55904902E-12-4.08029057E+03+2.58950880E+01 4
+IC4H8O2H-T O 2C 4H 9 G 300.00 5000.00 1397.00 1
++1.52395012E+01+2.06496983E-02-6.94791927E-06+1.06651097E-09-6.13782754E-14 2
+-1.02271199E+04-4.70908585E+01+3.77633001E+00+4.50889269E-02-2.62423875E-05 3
++7.74736900E-09-9.11520393E-13-5.98295842E+03+1.53503399E+01 4
+IC4H8O H 8O 1C 4 G 300.00 5000.00 1399.00 1
++1.44624830E+01+1.80562860E-02-6.18008791E-06+9.59941341E-10-5.57132297E-14 2
+-2.30230616E+04-5.61190165E+01-2.97373741E+00+6.24618637E-02-5.04348211E-05 3
++2.13345360E-08-3.67382824E-12-1.73274318E+04+3.62336362E+01 4
+CC4H8O H 8O 1C 4 G 300.00 5000.00 1401.00 1
++1.35131704E+01+1.91666441E-02-6.53902359E-06+1.01366570E-09-5.87546671E-14 2
+-2.00311488E+04-5.22146967E+01-5.27768230E+00+6.52482242E-02-5.00209030E-05 3
++1.97452179E-08-3.15605813E-12-1.37706522E+04+4.78500688E+01 4
+IC4H9O O 1C 4H 9 G 300.00 5000.00 1393.00 1
++1.46765729E+01+2.00942091E-02-6.90362097E-06+1.07495878E-09-6.24925271E-14 2
+-1.55789914E+04-5.26039549E+01-7.66695776E-01+5.55173852E-02-3.81796473E-05 3
++1.37862085E-08-2.07312751E-12-1.01111245E+04+3.06331234E+01 4
+TC4H9O O 1C 4H 9 G 300.00 5000.00 1397.00 1
++1.50819361E+01+1.94454128E-02-6.61333610E-06+1.02279160E-09-5.91796928E-14 2
+-1.88111456E+04-5.71658947E+01-5.32084074E-01+5.71613469E-02-4.20177228E-05 3
++1.63745425E-08-2.64124700E-12-1.34963439E+04+2.62776957E+01 4
+IC4H9O2H H 10C 4O 2 G 300.00 5000.00 1388.00 1
++1.84308794E+01+2.15337606E-02-7.48623965E-06+1.17499240E-09-6.86890788E-14 2
+-3.51483277E+04-7.08030846E+01+2.44181899E-01+6.34027841E-02-4.49162379E-05 3
++1.67406877E-08-2.61216478E-12-2.86959808E+04+2.72156229E+01 4
+TC4H9O2H H 10C 4O 2 G 300.00 5000.00 1390.00 1
++1.91617041E+01+2.09157249E-02-7.27346821E-06+1.14180989E-09-6.67577135E-14 2
+-3.83201687E+04-7.78230874E+01+1.14505932E-01+6.71507854E-02-5.15578410E-05 3
++2.10256365E-08-3.56467024E-12-3.17928725E+04+2.40011030E+01 4
+IC4H7O O 1C 4H 7 G 300.00 5000.00 1386.00 1
++1.33457615E+01+1.61218588E-02-5.44376403E-06+8.38199374E-10-4.83608280E-14 2
++6.11443644E+02-4.36818838E+01+1.74700687E+00+4.07783436E-02-2.44750243E-05 3
++7.06502958E-09-7.51570589E-13+4.86979233E+03+1.94535999E+01 4
+IC4H8OH O 1C 4H 9 G 300.00 5000.00 1376.00 1
++1.25605997E+01+2.10637488E-02-7.15019648E-06+1.10439262E-09-6.38428695E-14 2
+-1.86203249E+04-3.67889430E+01+3.29612707E+00+3.47649647E-02-1.02505618E-05 3
+-2.04641931E-09+1.18879408E-12-1.45627247E+04+1.58606320E+01 4
+IO2C4H8OH O 3C 4H 9 G 300.00 5000.00 1395.00 1
++1.79798208E+01+2.13452115E-02-7.29108198E-06+1.13068846E-09-6.55402236E-14 2
+-3.85769917E+04-6.23553522E+01+2.88826008E+00+5.80363124E-02-4.26690874E-05 3
++1.71759332E-08-2.91842186E-12-3.33881503E+04+1.83381149E+01 4
+IC3H7CHO H 8O 1C 4 G 300.00 5000.00 1391.00 1
++1.37501656E+01+1.83126722E-02-6.28572629E-06+9.78250756E-10-5.68538653E-14 2
+-3.26936771E+04-4.77270548E+01-2.73021382E-01+4.89696307E-02-3.12770049E-05 3
++1.00052945E-08-1.27512074E-12-2.76054737E+04+2.83451139E+01 4
+TC3H6CHO O 1C 4H 7 G 300.00 5000.00 1389.00 1
++1.31013047E+01+1.66391865E-02-5.68457623E-06+8.81808351E-10-5.11290161E-14 2
+-1.30638647E+04-4.42705813E+01+1.87052762E+00+4.14869677E-02-2.66815701E-05 3
++9.01531610E-09-1.27870633E-12-8.97730744E+03+1.66174178E+01 4
+IC3H7CO O 1C 4H 7 G 300.00 5000.00 1390.00 1
++1.33305736E+01+1.61873930E-02-5.56711402E-06+8.67575951E-10-5.04696549E-14 2
+-1.37307001E+04-4.33958746E+01+5.03452639E-01+4.41607510E-02-2.82139091E-05 3
++8.93548675E-09-1.11327422E-12-9.07755468E+03+2.61991461E+01 4
+IC3H6CHO O 1C 4H 7 G 300.00 5000.00 1390.00 1
++1.33102250E+01+1.62097959E-02-5.57575891E-06+8.69003718E-10-5.05554202E-14 2
+-7.62177931E+03-4.25050854E+01+5.21481767E-01+4.43114357E-02-2.86617314E-05 3
++9.30319894E-09-1.20761563E-12-2.99677086E+03+2.68182130E+01 4
+TC4H8OOH-IO2 O 4C 4H 9 G 300.00 5000.00 1386.00 1
++2.26382889E+01+2.03246143E-02-7.12390770E-06+1.12425028E-09-6.59732993E-14 2
+-3.24406877E+04-8.80387843E+01+2.17782096E+00+7.17785118E-02-5.88836046E-05 3
++2.56759171E-08-4.61678643E-12-2.55622378E+04+2.07846231E+01 4
+IC4H8OOH-IO2 O 4C 4H 9 G 300.00 5000.00 1385.00 1
++2.18969581E+01+2.09637874E-02-7.34664900E-06+1.15926594E-09-6.80225413E-14 2
+-2.92664889E+04-8.20540807E+01+2.39424426E+00+6.76572549E-02-5.17083682E-05 3
++2.10796041E-08-3.59960373E-12-2.24787495E+04+2.25029839E+01 4
+IC4H8OOH-TO2 O 4C 4H 9 G 300.00 5000.00 1386.00 1
++2.26382889E+01+2.03246143E-02-7.12390770E-06+1.12425028E-09-6.59732993E-14 2
+-3.24406877E+04-8.80387843E+01+2.17782096E+00+7.17785118E-02-5.88836046E-05 3
++2.56759171E-08-4.61678643E-12-2.55622378E+04+2.07846231E+01 4
+IC4KETII O 3H 8C 4 G 300.00 5000.00 1387.00 1
++1.95143059E+01+1.82377395E-02-6.38908606E-06+1.00801571E-09-5.91440350E-14 2
+-4.46884836E+04-7.17167584E+01+1.15501614E+00+6.10622345E-02-4.49711323E-05 3
++1.70514654E-08-2.65948602E-12-3.82747956E+04+2.69612235E+01 4
+IC4KETIT O 3H 8C 4 G 300.00 5000.00 1388.00 1
++2.09369850E+01+1.71090955E-02-6.01892169E-06+9.52353863E-10-5.59926176E-14 2
+-4.77819819E+04-8.27717611E+01+1.14243741E+00+6.33840797E-02-4.73084738E-05 3
++1.77145373E-08-2.67265475E-12-4.09366796E+04+2.34844867E+01 4
+IC4H7OH H 8O 1C 4 G 300.00 5000.00 1384.00 1
++1.35043419E+01+1.78646968E-02-5.99304371E-06+9.18717641E-10-5.28435302E-14 2
+-2.58255688E+04-4.44645715E+01+1.69099899E+00+4.27168891E-02-2.49281695E-05 3
++7.00961522E-09-7.23262828E-13-2.14512334E+04+1.99500833E+01 4
+IC4H6OH O 1C 4H 7 G 300.00 5000.00 1390.00 1
++1.40310926E+01+1.55317541E-02-5.32754961E-06+8.28785902E-10-4.81545257E-14 2
+-7.69378228E+03-4.76555306E+01+8.63371227E-01+4.68711282E-02-3.43580339E-05 3
++1.33031052E-08-2.13914975E-12-3.14948305E+03+2.29075523E+01 4
+IC3H5CHO H 6O 1C 4 G 300.00 5000.00 1396.00 1
++1.36203958E+01+1.37917192E-02-4.73370118E-06+7.36655226E-10-4.20097974E-14 2
+-2.00025274E+04-4.73184531E+01+6.27183793E-01+4.66780254E-02-3.74430631E-05 3
++1.58330542E-08-2.73952155E-12-1.57203117E+04+2.16034294E+01 4
+IC3H5CO O 1H 5C 4 G 300.00 5000.00 1397.00 1
++1.30667437E+01+1.16704244E-02-3.99106523E-06+6.19498148E-10-3.59348249E-14 2
+-3.36519344E+03-4.35803090E+01+1.85097069E+00+4.18855846E-02-3.62553731E-05 3
++1.65690659E-08-3.05850846E-12+1.70381441E+02+1.53014433E+01 4
+TC3H6OCHO O 2C 4H 7 G 300.00 5000.00 1394.00 1
++1.70371287E+01+1.54400645E-02-5.28332886E-06+8.21085347E-10-4.76898429E-14 2
+-2.75871941E+04-6.37271230E+01+3.70830259E-01+5.38475661E-02-3.82477565E-05 3
++1.32882237E-08-1.79228730E-12-2.18391262E+04+2.58142112E+01 4
+IC3H6CO H 6O 1C 4 G 300.00 5000.00 1397.00 1
++1.32548232E+01+1.40142787E-02-4.78910215E-06+7.42924342E-10-4.30737566E-14 2
+-2.00529779E+04-4.44810221E+01+2.28039055E+00+4.17016989E-02-3.25089661E-05 3
++1.37243419E-08-2.40573132E-12-1.63939712E+04+1.38187714E+01 4
+IC4H7OOH H 8C 4O 2 G 300.00 5000.00 1392.00 1
++1.69234564E+01+1.78396769E-02-6.14273279E-06+9.57895028E-10-5.57438304E-14 2
+-2.00040686E+04-5.94746070E+01+2.99117402E+00+5.03349278E-02-3.56280061E-05 3
++1.33952154E-08-2.11053409E-12-1.51095046E+04+1.54537413E+01 4
+TC3H6OHCHO H 8C 4O 2 G 300.00 5000.00 1396.00 1
++1.70788996E+01+1.74005554E-02-5.93008112E-06+9.18860909E-10-5.32512140E-14 2
+-5.38730427E+04-6.38638754E+01+2.10033500E-01+5.63086284E-02-3.95158669E-05 3
++1.37780428E-08-1.89068805E-12-4.80402638E+04+2.67836070E+01 4
+TC3H6OH O 1C 3H 7 G 300.00 5000.00 1392.00 1
++1.12222277E+01+1.36444398E-02-4.51406709E-06+7.10523275E-10-4.22690392E-14 2
+-1.75350136E+04-3.18911926E+01+1.09670360E+00+3.80727565E-02-2.75022497E-05 3
++1.07477493E-08-1.74895773E-12-1.40764487E+04+2.22475799E+01 4
+IC3H5OH O 1C 3H 6 G 300.00 5000.00 1374.00 1
++1.07381025E+01+1.31698194E-02-4.41529622E-06+6.77009837E-10-3.89608901E-14 2
+-2.47298321E+04-3.13634050E+01+1.58376391E+00+3.16215366E-02-1.73664942E-05 3
++4.18927663E-09-2.79899620E-13-2.12643496E+04+1.88313766E+01 4
+TC3H6O2CHO O 3C 4H 7 G 300.00 5000.00 1386.00 1
++1.85534443E+01+1.68774389E-02-5.90752965E-06+9.31518085E-10-5.46345187E-14 2
+-2.85447191E+04-6.82486667E+01+2.17883383E+00+5.41595832E-02-3.83435886E-05 3
++1.38308104E-08-2.04190147E-12-2.27394154E+04+2.00751264E+01 4
+TC3H6O2HCO O 3C 4H 7 G 300.00 5000.00 1387.00 1
++2.06472678E+01+1.48526500E-02-5.25104875E-06+8.33619219E-10-4.91256069E-14 2
+-2.88719869E+04-7.95951389E+01+2.03864428E+00+5.80421003E-02-4.32123528E-05 3
++1.58792094E-08-2.32209543E-12-2.24284673E+04+2.03680990E+01 4
+IC3H5O2HCHO O 3C 4H 7 G 300.00 5000.00 1387.00 1
++2.06288832E+01+1.48625539E-02-5.25305276E-06+8.33772951E-10-4.91277401E-14 2
+-2.27589076E+04-7.82962888E+01+2.05984770E+00+5.82331716E-02-4.37672100E-05 3
++1.63249918E-08-2.43462051E-12-1.63496250E+04+2.13687921E+01 4
+CH2CCH2OH O 1H 5C 3 G 300.00 5000.00 1372.00 1
++9.70702027E+00+1.13972660E-02-3.77993962E-06+5.75209277E-10-3.29229125E-14 2
++9.13212884E+03-2.25012933E+01+2.88422544E+00+2.42428071E-02-1.14152268E-05 3
++1.71775334E-09+1.42177454E-13+1.17935615E+04+1.52102335E+01 4
+TC4H8CHO O 1C 5H 9 G 300.00 5000.00 1397.00 1
++1.79663933E+01+1.94207117E-02-6.67409451E-06+1.03969221E-09-6.04702651E-14 2
+-1.33368585E+04-6.79819424E+01-9.58078294E-01+6.42003258E-02-4.70776827E-05 3
++1.75737698E-08-2.64896151E-12-6.86582501E+03+3.33781112E+01 4
+O2C4H8CHO O 3C 5H 9 G 300.00 5000.00 1395.00 1
++2.12629904E+01+2.14072282E-02-7.38342949E-06+1.15281523E-09-6.71508438E-14 2
+-3.16854524E+04-7.99828703E+01+1.91847699E+00+6.67245869E-02-4.80871046E-05 3
++1.78588690E-08-2.71163880E-12-2.49837984E+04+2.38577867E+01 4
+O2HC4H8CO O 3C 5H 9 G 300.00 5000.00 1394.00 1
++2.38219630E+01+1.91411448E-02-6.67919154E-06+1.05127303E-09-6.15876805E-14 2
+-3.23093973E+04-9.42580755E+01+1.82607262E+00+6.93466111E-02-4.93125140E-05 3
++1.69848340E-08-2.26117657E-12-2.46578311E+04+2.41167544E+01 4
+C3H5OH O 1C 3H 6 G 300.00 5000.00 1388.00 1
++1.02818222E+01+1.34248012E-02-4.47039448E-06+6.81924195E-10-3.90899553E-14 2
+-1.99960114E+04-2.77736680E+01+1.08899314E+00+3.28481769E-02-1.91322648E-05 3
++5.21635136E-09-4.82394566E-13-1.66282463E+04+2.22754535E+01 4
+TIC4H7Q2-I O 4C 4H 9 G 300.00 5000.00 1400.00 1
++2.33848631E+01+1.87070035E-02-6.44021945E-06+1.00428123E-09-5.84468189E-14 2
+-2.61180902E+04-8.76610135E+01+4.48426361E+00+6.61225007E-02-5.27349018E-05 3
++2.18215585E-08-3.66788946E-12-1.98906586E+04+1.26719614E+01 4
+IIC4H7Q2-T O 4C 4H 9 G 300.00 5000.00 1377.00 1
++2.15070321E+01+2.05359839E-02-7.12383399E-06+1.11655053E-09-6.52112103E-14 2
+-2.51117508E+04-7.43379783E+01+8.16274487E+00+4.34463050E-02-1.76972456E-05 3
++4.88790666E-10+9.03915465E-13-1.96501749E+04+2.62067299E-01 4
+IIC4H7Q2-I O 4C 4H 9 G 300.00 5000.00 1394.00 1
++2.30500244E+01+1.92149194E-02-6.66622576E-06+1.04495725E-09-6.10370520E-14 2
+-2.32086881E+04-8.39949885E+01+4.93055661E+00+6.05819201E-02-4.23665566E-05 3
++1.49122008E-08-2.10978665E-12-1.68415495E+04+1.36228018E+01 4
+CH2O2H H 3C 1O 2 G 300.00 5000.00 1357.00 1
++9.10784249E+00+5.27260434E-03-1.88170543E-06+3.00561364E-10-1.77865959E-14 2
++3.77440183E+03-2.11741044E+01+4.47228333E+00+1.33401095E-02-5.92919725E-06 3
++4.44481025E-10+2.12699899E-13+5.67413711E+03+4.72608208E+00 4
+NC5H12 H 12C 5 G 300.00 5000.00 1396.00 1
++1.59247008E+01+2.59703101E-02-8.86821278E-06+1.37514707E-09-7.97105419E-14 2
+-2.60824218E+04-6.16997349E+01-1.67881131E+00+6.41231428E-02-3.96458285E-05 3
++1.23445155E-08-1.53325385E-12-1.96474971E+04+3.39348804E+01 4
+C5H11-1 C 5H 11 G 300.00 5000.00 1396.00 1
++1.54992372E+01+2.38273176E-02-8.13845161E-06+1.26220569E-09-7.31730066E-14 2
+-1.00988975E+03-5.58563592E+01-9.94216435E-01+5.99860809E-02-3.78318587E-05 3
++1.21310895E-08-1.57042863E-12+4.97697538E+03+3.35998032E+01 4
+C5H11-2 C 5H 11 G 300.00 5000.00 1391.00 1
++1.48744992E+01+2.40593799E-02-8.15587903E-06+1.25867109E-09-7.27223868E-14 2
+-2.14733945E+03-5.17907576E+01+7.25187788E-01+4.97343569E-02-2.18806076E-05 3
++2.09007834E-09+6.62752863E-13+3.46418370E+03+2.67485348E+01 4
+C5H11-3 C 5H 11 G 300.00 5000.00 1391.00 1
++1.48744992E+01+2.40593799E-02-8.15587903E-06+1.25867109E-09-7.27223868E-14 2
+-2.14733945E+03-5.24802393E+01+7.25187788E-01+4.97343569E-02-2.18806076E-05 3
++2.09007834E-09+6.62752863E-13+3.46418370E+03+2.60590532E+01 4
+C5H10-1 H 10C 5 G 300.00 5000.00 1392.00 1
++1.45851539E+01+2.24072471E-02-7.63348025E-06+1.18188966E-09-6.84385139E-14 2
+-1.00898205E+04-5.23683936E+01-1.06223481E+00+5.74218294E-02-3.74486890E-05 3
++1.27364989E-08-1.79609789E-12-4.46546666E+03+3.22739790E+01 4
+C5H10-2 H 10C 5 G 300.00 5000.00 1389.00 1
++1.41109267E+01+2.28348272E-02-7.78626835E-06+1.20627491E-09-6.98795983E-14 2
+-1.14336507E+04-5.01601163E+01-5.41560551E-01+5.39629918E-02-3.23508738E-05 3
++9.77416037E-09-1.18534668E-12-5.98606169E+03+2.97142748E+01 4
+C5H81-3 H 8C 5 G 300.00 5000.00 1396.00 1
++1.45574490E+01+1.80939266E-02-6.21671892E-06+9.67920254E-10-5.62629326E-14 2
++1.22365462E+03-5.43889766E+01-2.32617433E+00+6.38696042E-02-5.57052591E-05 3
++2.58049480E-08-4.83405924E-12+6.55183321E+03+3.42036513E+01 4
+C5H91-3 C 5H 9 G 300.00 5000.00 1392.00 1
++1.41860454E+01+2.07128899E-02-7.06960617E-06+1.09607133E-09-6.35322208E-14 2
++7.00496135E+03-5.14501773E+01-1.38013950E+00+5.57608487E-02-3.70143928E-05 3
++1.26883901E-08-1.78538835E-12+1.25589824E+04+3.26441304E+01 4
+C5H91-4 C 5H 9 G 300.00 5000.00 1379.00 1
++1.39904314E+01+1.99962562E-02-6.73105937E-06+1.03447598E-09-5.96148983E-14 2
++1.36075123E+04-4.58753046E+01+2.07302224E-01+4.75322572E-02-2.55232300E-05 3
++5.70570808E-09-2.53926602E-13+1.88300100E+04+2.97527890E+01 4
+C5H91-5 C 5H 9 G 300.00 5000.00 1392.00 1
++1.41604486E+01+2.02710046E-02-6.90765357E-06+1.06972742E-09-6.19529514E-14 2
++1.49795090E+04-4.72301324E+01-3.00352280E-01+5.29029897E-02-3.50199571E-05 3
++1.21280172E-08-1.74459793E-12+2.01482388E+04+3.08938514E+01 4
+C5H92-4 C 5H 9 G 300.00 5000.00 1389.00 1
++1.37128284E+01+2.11391857E-02-7.22186145E-06+1.12036442E-09-6.49675872E-14 2
++5.66079366E+03-4.92475603E+01-8.61323386E-01+5.23106875E-02-3.19282664E-05 3
++9.73236622E-09-1.17585595E-12+1.10386471E+04+3.00928924E+01 4
+C5H92-5 C 5H 9 G 300.00 5000.00 1389.00 1
++1.36885460E+01+2.06966684E-02-7.05980383E-06+1.09401634E-09-6.33885833E-14 2
++1.36345574E+04-4.50306538E+01+2.16350550E-01+4.94614176E-02-2.99438792E-05 3
++9.17728978E-09-1.13613754E-12+1.86282306E+04+2.83575279E+01 4
+C5H9O1-3 O 1C 5H 9 G 300.00 5000.00 1393.00 1
++1.86270165E+01+1.85189638E-02-6.21111137E-06+9.52916260E-10-5.48704082E-14 2
+-4.97349374E+03-7.09678919E+01-2.22532588E+00+6.97271843E-02-5.42285799E-05 3
++2.13591167E-08-3.36511599E-12+1.91826163E+03+3.99711270E+01 4
+C5H9O2-4 O 1C 5H 9 G 300.00 5000.00 1387.00 1
++1.86104516E+01+1.87100216E-02-6.31627652E-06+9.73434030E-10-5.62316246E-14 2
+-6.59575918E+03-7.05163465E+01-1.66449167E+00+6.51525448E-02-4.57159226E-05 3
++1.55903830E-08-2.04144207E-12+4.10326271E+02+3.84890543E+01 4
+C5H11O2H-1 H 12C 5O 2 G 300.00 5000.00 1387.00 1
++2.14180725E+01+2.62251472E-02-9.10691067E-06+1.42824507E-09-8.34473635E-14 2
+-3.80401323E+04-8.39746734E+01+4.74596161E-01+7.38808098E-02-5.12216645E-05 3
++1.87797149E-08-2.90291870E-12-3.05323779E+04+2.91362231E+01 4
+C5H11O2H-2 H 12C 5O 2 G 300.00 5000.00 1390.00 1
++2.21712264E+01+2.55540337E-02-8.86857346E-06+1.39034021E-09-8.12122040E-14 2
+-4.06027396E+04-8.84830959E+01-2.68431172E-01+7.90975970E-02-5.89751277E-05 3
++2.33029166E-08-3.83794655E-12-3.28329870E+04+3.17836191E+01 4
+C5H11O2H-3 H 12C 5O 2 G 300.00 5000.00 1390.00 1
++2.21712264E+01+2.55540337E-02-8.86857346E-06+1.39034021E-09-8.12122040E-14 2
+-4.06027396E+04-8.84830959E+01-2.68431172E-01+7.90975970E-02-5.89751277E-05 3
++2.33029166E-08-3.83794655E-12-3.28329870E+04+3.17836191E+01 4
+C5H11O2-1 C 5H 11O 2 G 300.00 5000.00 1386.00 1
++1.89702536E+01+2.60355552E-02-9.00706834E-06+1.40888868E-09-8.21618381E-14 2
+-2.01253683E+04-6.97477616E+01+1.39788038E+00+6.52788893E-02-4.34224032E-05 3
++1.57151743E-08-2.46631324E-12-1.36791222E+04+2.55411824E+01 4
+C5H11O2-2 C 5H 11O 2 G 300.00 5000.00 1389.00 1
++1.96655539E+01+2.53946113E-02-8.77477373E-06+1.37145913E-09-7.99350015E-14 2
+-2.26521255E+04-7.38934310E+01+7.10786402E-01+7.03521821E-02-5.11565299E-05 3
++2.03005197E-08-3.42470585E-12-1.59903126E+04+2.79113132E+01 4
+C5H11O2-3 C 5H 11O 2 G 300.00 5000.00 1389.00 1
++1.96655539E+01+2.53946113E-02-8.77477373E-06+1.37145913E-09-7.99350015E-14 2
+-2.26521255E+04-7.38934310E+01+7.10786402E-01+7.03521821E-02-5.11565299E-05 3
++2.03005197E-08-3.42470585E-12-1.59903126E+04+2.79113132E+01 4
+C5H11O-1 O 1C 5H 11 G 300.00 5000.00 1391.00 1
++1.73225378E+01+2.48217999E-02-8.48159842E-06+1.31587304E-09-7.63050620E-14 2
+-1.83356880E+04-6.37681611E+01-9.02925873E-02+6.34116550E-02-4.09268668E-05 3
++1.36982820E-08-1.89646466E-12-1.20333690E+04+3.05672313E+01 4
+C5H11O-2 O 1C 5H 11 G 300.00 5000.00 1396.00 1
++1.78183150E+01+2.44541516E-02-8.36505611E-06+1.29863054E-09-7.53356869E-14 2
+-2.06350810E+04-6.67615213E+01-4.94527725E-01+6.73149844E-02-4.72324734E-05 3
++1.75936532E-08-2.73651943E-12-1.42372243E+04+3.16370708E+01 4
+C5H11O-3 O 1C 5H 11 G 300.00 5000.00 1396.00 1
++1.78183150E+01+2.44541516E-02-8.36505611E-06+1.29863054E-09-7.53356869E-14 2
+-2.06350810E+04-6.74510029E+01-4.94527725E-01+6.73149844E-02-4.72324734E-05 3
++1.75936532E-08-2.73651943E-12-1.42372243E+04+3.09475892E+01 4
+C5H10OOH1-2 C 5H 11O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-3 C 5H 11O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-4 C 5H 11O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-5 C 5H 11O 2 G 300.00 5000.00 1387.00 1
++2.10114488E+01+2.40561226E-02-8.36616955E-06+1.31339875E-09-7.67917194E-14 2
+-1.29757849E+04-7.89329903E+01+1.26957212E+00+6.92172253E-02-4.85626715E-05 3
++1.80144791E-08-2.81415382E-12-5.92384799E+03+2.76017751E+01 4
+C5H10OOH2-1 C 5H 11O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10OOH2-3 C 5H 11O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH2-4 C 5H 11O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH2-5 C 5H 11O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10OOH3-2 C 5H 11O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH3-1 C 5H 11O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10O1-2 H 10O 1C 5 G 300.00 5000.00 1382.00 1
++1.83450823E+01+2.15894287E-02-7.59914917E-06+1.20265688E-09-7.07149348E-14 2
+-2.52918816E+04-7.38748127E+01-2.50915891E+00+7.02820905E-02-5.23078154E-05 3
++2.05330738E-08-3.37999472E-12-1.79263879E+04+3.83402738E+01 4
+C5H10O1-3 H 10O 1C 5 G 300.00 5000.00 1370.00 1
++1.85051134E+01+2.17909650E-02-7.74803799E-06+1.23453810E-09-7.29327086E-14 2
+-2.62151881E+04-7.74524221E+01-2.70067147E+00+6.51234466E-02-3.97863209E-05 3
++1.12983558E-08-1.18141056E-12-1.81611984E+04+3.87589334E+01 4
+C5H10O1-4 H 10O 1C 5 G 300.00 5000.00 1371.00 1
++1.77074517E+01+2.24725523E-02-7.98404192E-06+1.27146816E-09-7.50866945E-14 2
+-3.63066445E+04-7.27392560E+01-3.94205066E+00+6.68440102E-02-4.09940878E-05 3
++1.17684771E-08-1.26029870E-12-2.80943137E+04+4.58617150E+01 4
+C5H10O1-5 H 10O 1C 5 G 300.00 5000.00 1457.00 1
++2.13684109E+01+1.97321411E-02-7.12842160E-06+1.14789888E-09-6.83162787E-14 2
+-3.89834904E+04-1.00032176E+02-3.02904503E+00+6.01320166E-02-2.12072490E-05 3
+-4.91313274E-09+3.07577547E-12-2.91028862E+04+3.64698785E+01 4
+C5H10O2-3 H 10O 1C 5 G 300.00 5000.00 1385.00 1
++1.89379846E+01+2.10434849E-02-7.40107577E-06+1.17069402E-09-6.88106356E-14 2
+-2.76228814E+04-7.74017673E+01-3.03891874E+00+7.46406721E-02-5.91275018E-05 3
++2.46307903E-08-4.24312686E-12-2.01088998E+04+4.00106761E+01 4
+C5H10O2-4 H 10O 1C 5 G 300.00 5000.00 1376.00 1
++1.91186278E+01+2.12169126E-02-7.53764833E-06+1.20035780E-09-7.08866585E-14 2
+-2.85216189E+04-8.03408390E+01-3.50702064E+00+7.13707278E-02-4.99483546E-05 3
++1.76515898E-08-2.56653255E-12-2.03198734E+04+4.22612571E+01 4
+C5H10OOH1-2O2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-3O2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-4O2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-5O2 O 4C 5H 11 G 300.00 5000.00 1385.00 1
++2.48666576E+01+2.56688838E-02-8.97169324E-06+1.41315614E-09-8.28158711E-14 2
+-3.21479218E+04-9.51211738E+01+2.81997434E+00+7.72690504E-02-5.67282509E-05 3
++2.23236523E-08-3.71501383E-12-2.43447483E+04+2.35135259E+01 4
+C5H10OOH2-1O2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH2-3O2 O 4C 5H 11 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+C5H10OOH2-4O2 O 4C 5H 11 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+C5H10OOH2-5O2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH3-1O2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH3-2O2 O 4C 5H 11 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+NC5KET12 H 10O 3C 5 G 300.00 5000.00 1389.00 1
++2.34427049E+01+2.21540692E-02-7.74817880E-06+1.22107095E-09-7.15883644E-14 2
+-4.99350593E+04-9.09970812E+01+5.64845658E-01+7.74889690E-02-6.00818427E-05 3
++2.42432817E-08-4.02329880E-12-4.21262314E+04+3.12910774E+01 4
+NC5KET13 H 10O 3C 5 G 300.00 5000.00 1387.00 1
++2.27897549E+01+2.26387719E-02-7.89832354E-06+1.24260309E-09-7.27609759E-14 2
+-5.00526193E+04-8.71676166E+01+2.53945153E+00+7.08645319E-02-5.32266350E-05 3
++2.12906293E-08-3.56676536E-12-4.29988725E+04+2.14543054E+01 4
+NC5KET14 H 10O 3C 5 G 300.00 5000.00 1387.00 1
++2.27897549E+01+2.26387719E-02-7.89832354E-06+1.24260309E-09-7.27609759E-14 2
+-5.00526193E+04-8.71676166E+01+2.53945153E+00+7.08645319E-02-5.32266350E-05 3
++2.12906293E-08-3.56676536E-12-4.29988725E+04+2.14543054E+01 4
+NC5KET15 H 10O 3C 5 G 300.00 5000.00 1383.00 1
++2.21776239E+01+2.31939864E-02-8.09797899E-06+1.27464047E-09-7.46625107E-14 2
+-4.75611599E+04-8.35091033E+01+3.22565144E+00+6.57620962E-02-4.52752542E-05 3
++1.64810866E-08-2.54467139E-12-4.06876266E+04+1.90851234E+01 4
+NC5KET21 H 10O 3C 5 G 300.00 5000.00 1379.00 1
++2.17534680E+01+2.36666119E-02-8.28610759E-06+1.30663620E-09-7.66324076E-14 2
+-5.12815467E+04-8.09340957E+01+4.56687437E+00+6.01978739E-02-3.82935508E-05 3
++1.29220662E-08-1.89791227E-12-4.47703435E+04+1.29580830E+01 4
+NC5KET23 H 10O 3C 5 G 300.00 5000.00 1387.00 1
++2.31409808E+01+2.24801534E-02-7.87662916E-06+1.24282516E-09-7.29252729E-14 2
+-5.36784029E+04-9.00538236E+01+1.09304151E-01+7.75997760E-02-5.94124810E-05 3
++2.36744270E-08-3.89094338E-12-4.57495597E+04+3.32799795E+01 4
+NC5KET24 H 10O 3C 5 G 300.00 5000.00 1385.00 1
++2.25126387E+01+2.29495597E-02-8.02286486E-06+1.26389975E-09-7.40777420E-14 2
+-5.38122195E+04-8.63788737E+01+2.19333641E+00+7.04050260E-02-5.15856312E-05 3
++2.00741570E-08-3.28568948E-12-4.66368524E+04+2.29520202E+01 4
+NC5KET25 H 10O 3C 5 G 300.00 5000.00 1382.00 1
++2.19099644E+01+2.35018200E-02-8.22261497E-06+1.29606701E-09-7.59914647E-14 2
+-5.13242006E+04-8.27708903E+01+2.76270425E+00+6.58724877E-02-4.45144578E-05 3
++1.58213340E-08-2.38800145E-12-4.43093682E+04+2.11180678E+01 4
+NC5KET31 H 10O 3C 5 G 300.00 5000.00 1382.00 1
++2.17723599E+01+2.36116706E-02-8.25813864E-06+1.30129886E-09-7.62813000E-14 2
+-5.13543364E+04-8.16385880E+01+3.14481499E+00+6.64310592E-02-4.75232545E-05 3
++1.85573234E-08-3.11995924E-12-4.46228757E+04+1.89760116E+01 4
+NC5KET32 H 10O 3C 5 G 300.00 5000.00 1387.00 1
++2.29536744E+01+2.26192649E-02-7.91922638E-06+1.24883440E-09-7.32467701E-14 2
+-5.36792159E+04-8.86117968E+01+7.24497110E-01+7.71622935E-02-6.10369902E-05 3
++2.55909432E-08-4.44696298E-12-4.60989830E+04+3.00522534E+01 4
+C5H10OH-1 O 1C 5H 11 G 300.00 5000.00 1371.00 1
++1.75642279E+01+2.33577469E-02-7.81503517E-06+1.19674654E-09-6.88114207E-14 2
+-2.11605652E+04-6.19821034E+01+9.51873649E-01+5.58286144E-02-2.87750953E-05 3
++5.54684921E-09+1.10578801E-14-1.48168651E+04+2.93877119E+01 4
+C5H10OH-2 O 1C 5H 11 G 300.00 5000.00 1390.00 1
++1.72742775E+01+2.39409708E-02-8.07388576E-06+1.24188426E-09-7.15926603E-14 2
+-2.31054055E+04-6.11106423E+01+4.68530877E-01+6.05595171E-02-3.75900684E-05 3
++1.16488887E-08-1.41506375E-12-1.70158316E+04+3.00652481E+01 4
+O2C5H10OH-1 O 3C 5H 11 G 300.00 5000.00 1395.00 1
++2.06059936E+01+2.61750874E-02-8.92270421E-06+1.38184638E-09-8.00235870E-14 2
+-4.07496333E+04-7.38943495E+01+2.70461132E+00+6.83289096E-02-4.77921008E-05 3
++1.81238720E-08-2.90871344E-12-3.44822614E+04+2.22673007E+01 4
+O2C5H10OH-2 O 3C 5H 11 G 300.00 5000.00 1398.00 1
++2.15259930E+01+2.54039694E-02-8.65952886E-06+1.34110440E-09-7.76663740E-14 2
+-4.32473477E+04-8.00796638E+01+1.89616952E+00+7.37918569E-02-5.55488679E-05 3
++2.24979959E-08-3.79045894E-12-3.66230283E+04+2.45460172E+01 4
+NC6H14 C 6H 14 G 300.00 5000.00 1390.00 1
++1.89634117E+01+3.04480204E-02-1.03794829E-05+1.60775457E-09-9.31269728E-14 2
+-3.01628739E+04-7.62839355E+01-9.69606184E-01+7.29085608E-02-4.38853919E-05 3
++1.32312807E-08-1.58437423E-12-2.27803862E+04+3.23069798E+01 4
+C6H13-1 C 6H 13 G 300.00 5000.00 1390.00 1
++1.85385470E+01+2.83107962E-02-9.65307246E-06+1.49547585E-09-8.66336064E-14 2
+-5.09299041E+03-7.04490943E+01-2.04871465E-01+6.83801272E-02-4.14447912E-05 3
++1.26155802E-08-1.53120058E-12+1.83280393E+03+3.16075093E+01 4
+C6H13-2 C 6H 13 G 300.00 5000.00 1380.00 1
++1.83687363E+01+2.80268110E-02-9.47032396E-06+1.45888527E-09-8.42002461E-14 2
+-6.46093974E+03-6.90934018E+01+2.29560149E-01+6.33327323E-02-3.24135431E-05 3
++6.46387687E-09-9.61420427E-14+5.25639156E+02+3.08006138E+01 4
+C6H13-3 C 6H 13 G 300.00 5000.00 1380.00 1
++1.83687363E+01+2.80268110E-02-9.47032396E-06+1.45888527E-09-8.42002461E-14 2
+-6.46093974E+03-6.90934018E+01+2.29560149E-01+6.33327323E-02-3.24135431E-05 3
++6.46387687E-09-9.61420427E-14+5.25639156E+02+3.08006138E+01 4
+C6H12-1 C 6H 12 G 300.00 5000.00 1392.00 1
++1.78337529E+01+2.67377658E-02-9.10036773E-06+1.40819768E-09-8.15124244E-14 2
+-1.42062860E+04-6.83818851E+01-1.35275205E+00+6.98655426E-02-4.59408022E-05 3
++1.56967343E-08-2.21296175E-12-7.34368617E+03+3.53120691E+01 4
+C6H12-2 C 6H 12 G 300.00 5000.00 1390.00 1
++1.73616148E+01+2.71634902E-02-9.25249439E-06+1.43247725E-09-8.29472521E-14 2
+-1.55509547E+04-6.61857343E+01-8.37810520E-01+6.64334712E-02-4.08801772E-05 3
++1.27558015E-08-1.60665165E-12-8.86347329E+03+3.27785200E+01 4
+C6H12-3 C 6H 12 G 300.00 5000.00 1392.00 1
++1.74392115E+01+2.72012909E-02-9.28739405E-06+1.44011755E-09-8.34782517E-14 2
+-1.55311520E+04-6.72316177E+01-1.74471739E+00+7.02087492E-02-4.60836866E-05 3
++1.58225609E-08-2.26113570E-12-8.63510107E+03+3.65273503E+01 4
+C6H111-3 C 6H 11 G 300.00 5000.00 1392.00 1
++1.74385677E+01+2.50390443E-02-8.53480314E-06+1.32209951E-09-7.65892920E-14 2
++2.88667463E+03-6.74868036E+01-1.68400759E+00+6.82608096E-02-4.55829418E-05 3
++1.56920477E-08-2.21118204E-12+9.68283708E+03+3.57445494E+01 4
+C6H111-4 C 6H 11 G 300.00 5000.00 1381.00 1
++1.72621286E+01+2.42963321E-02-8.18563605E-06+1.25871870E-09-7.25641092E-14 2
++9.47965134E+03-6.20229885E+01-6.66672195E-02+5.98990444E-02-3.38938138E-05 3
++8.58922359E-09-6.54329636E-13+1.59493460E+04+3.27147756E+01 4
+C6H111-5 C 6H 11 G 300.00 5000.00 1381.00 1
++1.72621286E+01+2.42963321E-02-8.18563605E-06+1.25871870E-09-7.25641092E-14 2
++9.47965134E+03-6.20229885E+01-6.66672195E-02+5.98990444E-02-3.38938138E-05 3
++8.58922359E-09-6.54329636E-13+1.59493460E+04+3.27147756E+01 4
+C6H111-6 C 6H 11 G 300.00 5000.00 1392.00 1
++1.74129892E+01+2.45984185E-02-8.37352752E-06+1.29588349E-09-7.50182758E-14 2
++1.08613574E+04-6.32669814E+01-6.17484828E-01+6.54674092E-02-4.36872486E-05 3
++1.51936842E-08-2.18414423E-12+1.72739396E+04+3.40544957E+01 4
+C6H112-4 C 6H 11 G 300.00 5000.00 1389.00 1
++1.69675593E+01+2.54635235E-02-8.68644122E-06+1.34629700E-09-7.80191162E-14 2
++1.54157079E+03-6.52971106E+01-1.16992307E+00+6.48326433E-02-4.05262795E-05 3
++1.27524726E-08-1.60498435E-12+8.16316429E+03+3.32148832E+01 4
+C6H112-5 C 6H 11 G 300.00 5000.00 1377.00 1
++1.67818090E+01+2.47356833E-02-8.34368101E-06+1.28402955E-09-7.40627547E-14 2
++8.13809667E+03-5.97810800E+01+4.63606027E-01+5.63992000E-02-2.87342339E-05 3
++5.59014813E-09-3.57957530E-14+1.44272349E+04+3.01101704E+01 4
+C6H112-6 C 6H 11 G 300.00 5000.00 1390.00 1
++1.69431052E+01+2.50224953E-02-8.52515322E-06+1.32009254E-09-7.64493285E-14 2
++9.51557475E+03-6.10792812E+01-1.06006806E-01+6.20508067E-02-3.86460745E-05 3
++1.22632255E-08-1.57992990E-12+1.57546498E+04+3.15418771E+01 4
+C6H113-1 C 6H 11 G 300.00 5000.00 1392.00 1
++1.70133131E+01+2.50666461E-02-8.56223877E-06+1.32807194E-09-7.69999372E-14 2
++9.53859681E+03-6.13920940E+01-9.77623834E-01+6.56664597E-02-4.36212067E-05 3
++1.51941737E-08-2.20544154E-12+1.59778322E+04+3.58177060E+01 4
+C6H11O1-3 C 6O 1H 11 G 300.00 5000.00 1393.00 1
++2.22920437E+01+2.24441825E-02-7.53070994E-06+1.15575450E-09-6.65675174E-14 2
+-9.30566725E+03-8.94778368E+01-2.54423388E+00+8.15467714E-02-6.04734167E-05 3
++2.23330400E-08-3.25460865E-12-9.39930947E+02+4.32736817E+01 4
+C6H11O2-4 C 6O 1H 11 G 300.00 5000.00 1388.00 1
++2.17536453E+01+2.29477789E-02-7.71427788E-06+1.18540388E-09-6.83332601E-14 2
+-1.06296518E+04-8.69112396E+01-1.97396384E+00+7.78641252E-02-5.51856115E-05 3
++1.93459318E-08-2.65553891E-12-2.46698943E+03+4.04899267E+01 4
+C6H12O1-2 C 6H 12O 1 G 300.00 5000.00 1390.00 1
++1.98237675E+01+2.83076305E-02-9.79700725E-06+1.53290291E-09-8.94136512E-14 2
+-2.86156250E+04-7.97147353E+01-2.60027118E+00+8.25140327E-02-6.19868951E-05 3
++2.52986585E-08-4.35196287E-12-2.08474661E+04+4.03432783E+01 4
+C6H12O1-3 C 6H 12O 1 G 300.00 5000.00 1381.00 1
++2.00943213E+01+2.80281041E-02-9.61073019E-06+1.49563556E-09-8.69482515E-14 2
+-2.94623491E+04-8.29672080E+01-3.67890943E+00+8.18734230E-02-5.65067852E-05 3
++2.03434434E-08-3.05338137E-12-2.09644147E+04+4.54357891E+01 4
+C6H12O1-4 C 6H 12O 1 G 300.00 5000.00 1385.00 1
++1.81937451E+01+3.05132082E-02-1.05538621E-05+1.65081301E-09-9.62756740E-14 2
+-3.91861539E+04-7.28892157E+01-4.98759747E+00+8.36690743E-02-5.83931131E-05 3
++2.19383204E-08-3.51302429E-12-3.08768470E+04+5.22311756E+01 4
+C6H12O1-5 C 6H 12O 1 G 300.00 5000.00 1369.00 1
++2.18696492E+01+2.89644808E-02-1.02843212E-05+1.63714319E-09-9.66552991E-14 2
+-4.43407005E+04-1.01256960E+02-4.89881418E+00+8.17946607E-02-4.67358620E-05 3
++1.15229724E-08-8.38133459E-13-3.39937629E+04+4.60903286E+01 4
+C6H12O2-3 C 6H 12O 1 G 300.00 5000.00 1392.00 1
++2.04400807E+01+2.77275705E-02-9.58422558E-06+1.49835476E-09-8.73476387E-14 2
+-3.09571014E+04-8.33771795E+01-3.24328996E+00+8.73751851E-02-6.95553645E-05 3
++2.98574354E-08-5.31644810E-12-2.30127954E+04+4.25385508E+01 4
+C6H12O2-4 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.99501923E+01+2.88253331E-02-1.00217930E-05+1.57295064E-09-9.19508743E-14 2
+-3.15674310E+04-8.24846912E+01-3.75894138E+00+8.46044396E-02-6.18101303E-05 3
++2.42424607E-08-4.01441141E-12-2.32216305E+04+4.49636341E+01 4
+C6H12O2-5 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.86455632E+01+3.02705842E-02-1.05000692E-05+1.64542415E-09-9.60802316E-14 2
+-4.14905135E+04-7.56801716E+01-5.21438722E+00+8.67847640E-02-6.36083019E-05 3
++2.52625812E-08-4.25063214E-12-3.31071531E+04+5.24812152E+01 4
+C6H12O3-4 C 6H 12O 1 G 300.00 5000.00 1392.00 1
++2.04400807E+01+2.77275705E-02-9.58422558E-06+1.49835476E-09-8.73476387E-14 2
+-3.09571014E+04-8.33771795E+01-3.24328996E+00+8.73751851E-02-6.95553645E-05 3
++2.98574354E-08-5.31644810E-12-2.30127954E+04+4.25385508E+01 4
+C6H13O2H-1 C 6H 14O 2 G 300.00 5000.00 1388.00 1
++2.45609177E+01+3.07471465E-02-1.06611615E-05+1.67031752E-09-9.75224221E-14 2
+-4.21305786E+04-9.94217981E+01+4.28827381E-01+8.52153162E-02-5.81549717E-05 3
++2.08798889E-08-3.15227267E-12-3.34464197E+04+3.10485287E+01 4
+C6H13O2H-2 C 6H 14O 2 G 300.00 5000.00 1390.00 1
++2.53703550E+01+3.00455578E-02-1.04162589E-05+1.63180782E-09-9.52693153E-14 2
+-4.47221575E+04-1.04960674E+02-4.38853727E-01+9.10055843E-02-6.66797289E-05 3
++2.58472566E-08-4.18105592E-12-3.57293720E+04+3.35762294E+01 4
+C6H13O2H-3 C 6H 14O 2 G 300.00 5000.00 1390.00 1
++2.53703550E+01+3.00455578E-02-1.04162589E-05+1.63180782E-09-9.52693153E-14 2
+-4.47221575E+04-1.04960674E+02-4.38853727E-01+9.10055843E-02-6.66797289E-05 3
++2.58472566E-08-4.18105592E-12-3.57293720E+04+3.35762294E+01 4
+C6H13O2-1 C 6H 13O 2 G 300.00 5000.00 1387.00 1
++2.21224820E+01+3.05609710E-02-1.05650154E-05+1.65180006E-09-9.62963346E-14 2
+-2.42219722E+04-8.52560175E+01+1.24283154E+00+7.71349324E-02-5.11549390E-05 3
++1.83242032E-08-2.83058645E-12-1.65776531E+04+2.79518801E+01 4
+C6H13O2-2 C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.28578467E+01+2.98910703E-02-1.03239520E-05+1.61313659E-09-9.40033512E-14 2
+-2.67682999E+04-9.03306141E+01+5.25316289E-01+8.23287654E-02-5.89792005E-05 3
++2.29248698E-08-3.78641136E-12-1.88843662E+04+2.97737842E+01 4
+C6H13O2-3 C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.28578467E+01+2.98910703E-02-1.03239520E-05+1.61313659E-09-9.40033512E-14 2
+-2.67682999E+04-9.03306141E+01+5.25316289E-01+8.23287654E-02-5.89792005E-05 3
++2.29248698E-08-3.78641136E-12-1.88843662E+04+2.97737842E+01 4
+C6H12OOH1-2 C 6H 13O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-3 C 6H 13O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-4 C 6H 13O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-5 C 6H 13O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH2-1 C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH2-3 C 6H 13O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-4 C 6H 13O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-5 C 6H 13O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-6 C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH3-1 C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH3-2 C 6H 13O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-4 C 6H 13O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-5 C 6H 13O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-6 C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH1-2O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-3O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-4O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-5O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH2-1O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH2-3O2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-4O2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-5O2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-6O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH3-1O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH3-2O2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-4O2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-5O2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-6O2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+NC6KET12 C 6O 3H 12 G 300.00 5000.00 1431.00 1
++1.76692622E+01+2.98180137E-02-9.43179071E-06+1.38583919E-09-7.72738616E-14 2
+-4.67026645E+04-4.87302952E+01+3.38273518E+00+6.51971936E-02-4.27848450E-05 3
++1.55394912E-08-2.34685173E-12-4.20179622E+04+2.71536226E+01 4
+NC6KET13 C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET14 C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET15 C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET21 C 6O 3H 12 G 300.00 5000.00 1380.00 1
++2.48977627E+01+2.82099062E-02-9.85249224E-06+1.55108568E-09-9.08649219E-14 2
+-5.53731276E+04-9.63947605E+01+4.39221532E+00+7.22001454E-02-4.62914048E-05 3
++1.57162916E-08-2.30615915E-12-4.76675282E+04+1.54471571E+01 4
+NC6KET23 C 6O 3H 12 G 300.00 5000.00 1388.00 1
++2.63430506E+01+2.69861544E-02-9.43297025E-06+1.48601772E-09-8.70977117E-14 2
+-5.78013235E+04-1.05866313E+02-1.35622858E-01+8.98798610E-02-6.76978860E-05 3
++2.65961001E-08-4.32068174E-12-4.86358432E+04+3.60982792E+01 4
+NC6KET24 C 6O 3H 12 G 300.00 5000.00 1386.00 1
++2.56847445E+01+2.74782488E-02-9.58627575E-06+1.50810536E-09-8.83051336E-14 2
+-5.79176568E+04-1.02009176E+02+1.73253220E+00+8.37365688E-02-6.15876454E-05 3
++2.41188610E-08-3.97119823E-12-4.94924385E+04+2.67536906E+01 4
+NC6KET25 C 6O 3H 12 G 300.00 5000.00 1386.00 1
++2.56847445E+01+2.74782488E-02-9.58627575E-06+1.50810536E-09-8.83051336E-14 2
+-5.79176568E+04-1.02009176E+02+1.73253220E+00+8.37365688E-02-6.15876454E-05 3
++2.41188610E-08-3.97119823E-12-4.94924385E+04+2.67536906E+01 4
+NC6KET26 C 6O 3H 12 G 300.00 5000.00 1383.00 1
++2.50574425E+01+2.80369155E-02-9.78501982E-06+1.53978046E-09-9.01766406E-14 2
+-5.54174830E+04-9.82500096E+01+2.58934810E+00+7.78460026E-02-5.24513152E-05 3
++1.85689713E-08-2.78455147E-12-4.72061155E+04+2.36059697E+01 4
+NC6KET31 C 6O 3H 12 G 300.00 5000.00 1383.00 1
++2.49194999E+01+2.81507231E-02-9.82266516E-06+1.54541788E-09-9.04929606E-14 2
+-5.54463958E+04-9.71141228E+01+2.96919433E+00+7.84436519E-02-5.55361775E-05 3
++2.13589050E-08-3.52935948E-12-4.75201133E+04+2.14680944E+01 4
+NC6KET32 C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.60960142E+01+2.71703309E-02-9.48970254E-06+1.49407399E-09-8.75315577E-14 2
+-5.77729470E+04-1.04067264E+02+5.64144594E-01+8.90854292E-02-6.89132035E-05 3
++2.83151935E-08-4.84139667E-12-4.89978587E+04+3.24785934E+01 4
+NC6KET34 C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.60960142E+01+2.71703309E-02-9.48970254E-06+1.49407399E-09-8.75315577E-14 2
+-5.77729470E+04-1.04067264E+02+5.64144594E-01+8.90854292E-02-6.89132035E-05 3
++2.83151935E-08-4.84139667E-12-4.89978587E+04+3.24785934E+01 4
+NC6KET35 C 6O 3H 12 G 300.00 5000.00 1385.00 1
++2.55125763E+01+2.76136115E-02-9.62969344E-06+1.51447067E-09-8.86568371E-14 2
+-5.79323622E+04-1.00670318E+02+2.47172709E+00+8.26409167E-02-6.21054242E-05 3
++2.53063842E-08-4.36121469E-12-4.98579950E+04+2.29726065E+01 4
+NC6KET36 C 6O 3H 12 G 300.00 5000.00 1383.00 1
++2.49194999E+01+2.81507231E-02-9.82266516E-06+1.54541788E-09-9.04929606E-14 2
+-5.54463958E+04-9.71141228E+01+2.96919433E+00+7.84436519E-02-5.55361775E-05 3
++2.13589050E-08-3.52935948E-12-4.75201133E+04+2.14680944E+01 4
+C6H13O-1 C 6O 1H 13 G 300.00 5000.00 1391.00 1
++2.04847348E+01+2.93216823E-02-1.00270389E-05+1.55645319E-09-9.02886762E-14 2
+-2.24313312E+04-7.93220600E+01-2.75164321E-01+7.54319868E-02-4.89209083E-05 3
++1.64641255E-08-2.29328813E-12-1.49282944E+04+3.31091672E+01 4
+C6H13O-2 C 6O 1H 13 G 300.00 5000.00 1396.00 1
++2.10569902E+01+2.87986753E-02-9.83767726E-06+1.52590233E-09-8.84677299E-14 2
+-2.47452394E+04-8.27139640E+01-7.81250097E-01+7.97868977E-02-5.58105384E-05 3
++2.06261124E-08-3.17214287E-12-1.71172031E+04+3.46483507E+01 4
+C6H13O-3 C 6O 1H 13 G 300.00 5000.00 1396.00 1
++2.10569902E+01+2.87986753E-02-9.83767726E-06+1.52590233E-09-8.84677299E-14 2
+-2.47452394E+04-8.27139640E+01-7.81250097E-01+7.97868977E-02-5.58105384E-05 3
++2.06261124E-08-3.17214287E-12-1.71172031E+04+3.46483507E+01 4
+C6H12OH-1 C 6O 1H 13 G 300.00 5000.00 1374.00 1
++2.08351245E+01+2.75160242E-02-9.19212642E-06+1.40613856E-09-8.07910065E-14 2
+-2.54006048E+04-7.80442288E+01+7.30467050E-01+6.80553890E-02-3.71632261E-05 3
++8.47842648E-09-3.99384332E-13-1.78478288E+04+3.20923365E+01 4
+C6H12OH-2 C 6O 1H 13 G 300.00 5000.00 1390.00 1
++2.05388853E+01+2.82512269E-02-9.53280388E-06+1.46688381E-09-8.45889133E-14 2
+-2.73356962E+04-7.65278460E+01+2.03282633E-01+7.28935457E-02-4.59200360E-05 3
++1.45115010E-08-1.81146964E-12-2.00036461E+04+3.36751650E+01 4
+C6H12OH-3 C 6O 1H 13 G 300.00 5000.00 1390.00 1
++2.05388853E+01+2.82512269E-02-9.53280388E-06+1.46688381E-09-8.45889133E-14 2
+-2.73356962E+04-7.65278460E+01+2.03282633E-01+7.28935457E-02-4.59200360E-05 3
++1.45115010E-08-1.81146964E-12-2.00036461E+04+3.36751650E+01 4
+O2C6H12OH-1 C 6O 3H 13 G 300.00 5000.00 1395.00 1
++2.37745808E+01+3.06705946E-02-1.04669074E-05+1.62226472E-09-9.39991386E-14 2
+-4.49540557E+04-8.94862826E+01+2.52250523E+00+8.03363569E-02-5.57536493E-05 3
++2.08636775E-08-3.29895205E-12-3.74833645E+04+2.47960934E+01 4
+O2C6H12OH-2 C 6O 3H 13 G 300.00 5000.00 1397.00 1
++2.46632042E+01+2.99541594E-02-1.02286047E-05+1.58601587E-09-9.19277798E-14 2
+-4.74127816E+04-9.48234723E+01+1.59446253E+00+8.62865587E-02-6.42669164E-05 3
++2.57424275E-08-4.29953824E-12-3.95691578E+04+2.83298549E+01 4
+O2C6H12OH-3 C 6O 3H 13 G 300.00 5000.00 1397.00 1
++2.46632042E+01+2.99541594E-02-1.02286047E-05+1.58601587E-09-9.19277798E-14 2
+-4.74127816E+04-9.48234723E+01+1.59446253E+00+8.62865587E-02-6.42669164E-05 3
++2.57424275E-08-4.29953824E-12-3.95691578E+04+2.83298549E+01 4
+NC4H9CHO H 10O 1C 5 G 300.00 5000.00 1381.00 1
++1.67965163E+01+2.25684519E-02-7.67631588E-06+1.18769369E-09-6.87545554E-14 2
+-3.56826080E+04-6.09063312E+01+1.59663472E+00+5.43541416E-02-3.21020651E-05 3
++9.35773559E-09-1.06688932E-12-2.99841025E+04+2.21281498E+01 4
+NC4H9CO O 1C 5H 9 G 300.00 5000.00 1382.00 1
++1.61782939E+01+2.07991920E-02-7.11787892E-06+1.10559975E-09-6.41697187E-14 2
+-1.66537752E+04-5.58943579E+01+2.43530238E+00+4.93682376E-02-2.89883082E-05 3
++8.42863812E-09-9.68287172E-13-1.14675541E+04+1.92695879E+01 4
+C4H8CHO-1 O 1C 5H 9 G 300.00 5000.00 1382.00 1
++1.62387385E+01+2.06785503E-02-7.06216576E-06+1.09553003E-09-6.35307382E-14 2
+-1.05717872E+04-5.50446953E+01+2.41842832E+00+4.96272127E-02-2.94995966E-05 3
++8.76068653E-09-1.04084476E-12-5.38055616E+03+2.04609422E+01 4
+C4H8CHO-2 O 1C 5H 9 G 300.00 5000.00 2014.00 1
++1.41407667E+01+2.28357886E-02-7.96904210E-06+1.26040379E-09-7.42466834E-14 2
+-1.07960087E+04-4.22099585E+01+2.67005026E+00+4.58193092E-02-2.29410393E-05 3
++4.53761436E-09-1.26593772E-13-6.67002712E+03+2.04249941E+01 4
+C4H8CHO-3 O 1C 5H 9 G 300.00 5000.00 2014.00 1
++1.41407667E+01+2.28357886E-02-7.96904210E-06+1.26040379E-09-7.42466834E-14 2
+-1.07960087E+04-4.22099585E+01+2.67005026E+00+4.58193092E-02-2.29410393E-05 3
++4.53761436E-09-1.26593772E-13-6.67002712E+03+2.04249941E+01 4
+C4H8CHO-4 O 1C 5H 9 G 300.00 5000.00 1388.00 1
++1.65969615E+01+2.07196999E-02-7.14969212E-06+1.11659188E-09-6.50492039E-14 2
+-1.54539499E+04-6.03180192E+01+1.16494271E+00+5.43945461E-02-3.49000792E-05 3
++1.14582711E-08-1.54697375E-12-9.80619729E+03+2.34897110E+01 4
+AC3H5CHO H 6O 1C 4 G 300.00 5000.00 1390.00 1
++1.22811161E+01+1.50167397E-02-5.17605303E-06+8.07796972E-10-4.70379360E-14 2
+-1.50985283E+04-3.72055710E+01+1.59653121E-01+4.25761347E-02-2.91900593E-05 3
++1.04044255E-08-1.53682904E-12-1.07859656E+04+2.82087323E+01 4
+AC3H5CO O 1H 5C 4 G 300.00 5000.00 1389.00 1
++1.18646590E+01+1.28852832E-02-4.45460888E-06+6.96613045E-10-4.06215490E-14 2
++3.86344452E+03-3.32989999E+01+9.34300027E-01+3.77751824E-02-2.61384581E-05 3
++9.34041036E-09-1.37598294E-12+7.74223639E+03+2.56636231E+01 4
+C2H3CHCHO O 1H 5C 4 G 300.00 5000.00 1382.00 1
++1.24074059E+01+1.27319711E-02-4.47199396E-06+7.06819922E-10-4.15245536E-14 2
++1.71706585E+03-3.94039464E+01-8.77992983E-03+3.98630509E-02-2.66130850E-05 3
++8.74644509E-09-1.14128759E-12+6.22475038E+03+2.79591664E+01 4
+NC3H7COCH3 H 10O 1C 5 G 300.00 5000.00 1383.00 1
++1.61841564E+01+2.35245881E-02-8.09675055E-06+1.26230690E-09-7.34487839E-14 2
+-3.93375474E+04-5.82980615E+01+1.24037361E+00+5.42494047E-02-3.14825332E-05 3
++9.14492321E-09-1.07665566E-12-3.36276472E+04+2.36150068E+01 4
+NC3H7COCH2 O 1C 5H 9 G 300.00 5000.00 1389.00 1
++1.61502419E+01+2.14093466E-02-7.36059614E-06+1.14656816E-09-6.66712722E-14 2
+-1.76968561E+04-5.83864884E+01+9.58299271E-01+5.68162532E-02-3.99112781E-05 3
++1.52671514E-08-2.49221047E-12-1.23062238E+04+2.34112884E+01 4
+C3H6COCH3-1 O 1C 5H 9 G 300.00 5000.00 1381.00 1
++1.58052948E+01+2.12787457E-02-7.31842496E-06+1.14049355E-09-6.63446381E-14 2
+-1.42827587E+04-5.34016678E+01+2.00033269E+00+4.96074565E-02-2.87470600E-05 3
++8.26666830E-09-9.51074212E-13-9.01010845E+03+2.22761791E+01 4
+C3H6COCH3-2 O 1C 5H 9 G 300.00 5000.00 2017.00 1
++1.36994763E+01+2.33997602E-02-8.20838083E-06+1.30268499E-09-7.69151198E-14 2
+-1.44773517E+04-4.04820065E+01+2.20585184E+00+4.59605697E-02-2.23175553E-05 3
++4.03645332E-09-1.91585252E-14-1.02918446E+04+2.24556304E+01 4
+C3H6COCH3-3 O 1C 5H 9 G 300.00 5000.00 1389.00 1
++1.57976789E+01+2.17091054E-02-7.46487769E-06+1.16300253E-09-6.76366022E-14 2
+-1.89670489E+04-5.65047695E+01+6.36829393E-01+5.50047719E-02-3.53220538E-05 3
++1.18237807E-08-1.65550023E-12-1.34221768E+04+2.57839238E+01 4
+C2H5COC2H5 H 10O 1C 5 G 300.00 5000.00 1376.00 1
++1.67131896E+01+2.24769805E-02-7.61830162E-06+1.17658492E-09-6.80456888E-14 2
+-3.96020446E+04-6.15362004E+01+1.59094611E+00+5.45541559E-02-3.33407641E-05 3
++1.05931387E-08-1.42002914E-12-3.39282740E+04+2.09983080E+01 4
+C2H5COC2H4P O 1C 5H 9 G 300.00 5000.00 1376.00 1
++1.62000827E+01+2.05106647E-02-6.96977982E-06+1.07826230E-09-6.24324406E-14 2
+-1.45067221E+04-5.52272610E+01+2.39449461E+00+4.98731839E-02-3.07394387E-05 3
++9.95080260E-09-1.37570832E-12-9.32123954E+03+2.01162807E+01 4
+C2H5COC2H4S O 1C 5H 9 G 300.00 5000.00 1385.00 1
++1.61904470E+01+2.12169293E-02-7.35412919E-06+1.15187377E-09-6.72380864E-14 2
+-1.92650763E+04-5.84937265E+01+1.10728106E+00+5.48902970E-02-3.67695939E-05 3
++1.32867426E-08-2.06966690E-12-1.37435363E+04+2.32804315E+01 4
+C2H5COC2H3 O 1H 8C 5 G 300.00 5000.00 1387.00 1
++1.55916947E+01+1.96028302E-02-6.79737285E-06+1.06496015E-09-6.21767189E-14 2
+-2.55988351E+04-5.53302818E+01+4.89126432E-01+5.49951823E-02-3.96989101E-05 3
++1.55700373E-08-2.60070818E-12-2.02458499E+04+2.59411142E+01 4
+PC2H4COC2H3 O 1C 5H 7 G 300.00 5000.00 1404.00 1
++1.26732841E+01+2.02366192E-02-6.61089203E-06+9.93878746E-10-5.63457733E-14 2
++7.74011225E+02-3.54543594E+01+7.62539679E-01+5.35805655E-02-4.36465022E-05 3
++1.99232699E-08-3.73335386E-12+4.42260800E+03+2.66604751E+01 4
+SC2H4COC2H3 O 1C 5H 7 G 300.00 5000.00 1389.00 1
++1.58074213E+01+1.69721022E-02-5.91317608E-06+9.29449082E-10-5.43903161E-14 2
+-5.49230389E+03-5.69867205E+01-1.60114035E-01+5.57954071E-02-4.31353298E-05 3
++1.76457444E-08-2.99384261E-12-3.12060218E+01+2.83440609E+01 4
+NC7H16 C 7H 16 G 300.00 5000.00 1391.00 1
++2.22148969E+01+3.47675750E-02-1.18407129E-05+1.83298478E-09-1.06130266E-13 2
+-3.42760081E+04-9.23040196E+01-1.26836187E+00+8.54355820E-02-5.25346786E-05 3
++1.62945721E-08-2.02394925E-12-2.56586565E+04+3.53732912E+01 4
+C7H15-1 H 15C 7 G 300.00 5000.00 1390.00 1
++2.17940709E+01+3.26280243E-02-1.11138244E-05+1.72067148E-09-9.96366999E-14 2
+-9.20938221E+03-8.64954311E+01-4.99570406E-01+8.08826467E-02-5.00532754E-05 3
++1.56549308E-08-1.96616227E-12-1.04590223E+03+3.46564011E+01 4
+C7H15-2 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.52209653E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.37321506E+01 4
+C7H15-3 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.52209653E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.37321506E+01 4
+C7H15-4 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.59104470E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.30426690E+01 4
+C7H14-1 C 7H 14 G 300.00 5000.00 1392.00 1
++2.10898039E+01+3.10607878E-02-1.05644793E-05+1.63405780E-09-9.45598219E-14 2
+-1.83260065E+04-8.44391108E+01-1.67720549E+00+8.24611601E-02-5.46504108E-05 3
++1.87862303E-08-2.65737983E-12-1.02168601E+04+3.85068032E+01 4
+C7H14-2 C 7H 14 G 300.00 5000.00 1390.00 1
++2.06192047E+01+3.14852991E-02-1.07162057E-05+1.65827662E-09-9.59911785E-14 2
+-1.96713162E+04-8.22519387E+01-1.16533279E+00+7.90439806E-02-4.96101666E-05 3
++1.58569009E-08-2.05346433E-12-1.17362359E+04+3.59871070E+01 4
+C7H14-3 C 7H 14 G 300.00 5000.00 1392.00 1
++2.06822750E+01+3.15388629E-02-1.07571215E-05+1.66690260E-09-9.65810393E-14 2
+-1.96450604E+04-8.25235002E+01-2.03026994E+00+8.26324377E-02-5.45514471E-05 3
++1.87705822E-08-2.67571220E-12-1.15141029E+04+4.02316266E+01 4
+C7H131-3 C 7H 13 G 300.00 5000.00 1392.00 1
++2.06977799E+01+2.93585249E-02-9.99754351E-06+1.54773305E-09-8.96230815E-14 2
+-1.38049514E+03-8.35627043E+01-2.01707658E+00+8.08915559E-02-5.43383904E-05 3
++1.88066108E-08-2.66059253E-12+6.66507961E+03+3.89797235E+01 4
+C7H131-4 C 7H 13 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-5 C 7H 13 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-6 C 7H 13 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-7 C 7H 13 G 300.00 5000.00 1392.00 1
++2.06754243E+01+2.89092236E-02-9.83222685E-06+1.52079763E-09-8.80072255E-14 2
++6.59360193E+03-7.93564689E+01-8.56743712E-01+7.77195832E-02-5.19282134E-05 3
++1.80146398E-08-2.57342002E-12+1.42410455E+04+3.68476570E+01 4
+C7H132-4 C 7H 13 G 300.00 5000.00 1390.00 1
++2.02283723E+01+2.97818393E-02-1.01488201E-05+1.57187813E-09-9.10500113E-14 2
+-2.71119859E+03-8.13824175E+01-1.50555526E+00+7.74758940E-02-4.92982536E-05 3
++1.58761889E-08-2.05624822E-12+5.16084218E+03+3.64615905E+01 4
+C7H132-5 C 7H 13 G 300.00 5000.00 1379.00 1
++2.00522952E+01+2.90375466E-02-9.79903704E-06+1.50841035E-09-8.70206514E-14 2
++3.87993522E+03-7.59217636E+01+1.92192199E-01+6.87557473E-02-3.70909926E-05 3
++8.46587268E-09-4.34596882E-13+1.14153061E+04+3.30601003E+01 4
+C7H132-6 C 7H 13 G 300.00 5000.00 1379.00 1
++2.00522952E+01+2.90375466E-02-9.79903704E-06+1.50841035E-09-8.70206514E-14 2
++3.87993522E+03-7.59217636E+01+1.92192199E-01+6.87557473E-02-3.70909926E-05 3
++8.46587268E-09-4.34596882E-13+1.14153061E+04+3.30601003E+01 4
+C7H132-7 C 7H 13 G 300.00 5000.00 1390.00 1
++2.02038608E+01+2.93419067E-02-9.98810855E-06+1.54578179E-09-8.94871756E-14 2
++5.26290572E+03-7.71644519E+01-4.54324169E-01+7.47544837E-02-4.75103113E-05 3
++1.54448401E-08-2.04403706E-12+1.27541308E+04+3.48464580E+01 4
+C7H133-1 C 7H 13 G 300.00 5000.00 1392.00 1
++2.02595343E+01+2.94019199E-02-1.00312524E-05+1.55475333E-09-9.00969885E-14 2
++5.30761197E+03-7.73922048E+01-1.28816625E+00+7.82039641E-02-5.22552162E-05 3
++1.82427873E-08-2.64174309E-12+1.29867502E+04+3.89474921E+01 4
+C7H133-5 C 7H 13 G 300.00 5000.00 1392.00 1
++2.02852000E+01+2.98429179E-02-1.01927262E-05+1.58100534E-09-9.16702393E-14 2
+-2.66699385E+03-8.16175392E+01-2.36092106E+00+8.10269808E-02-5.41952361E-05 3
++1.87683817E-08-2.67470772E-12+5.39652999E+03+4.06609319E+01 4
+C7H133-6 C 7H 13 G 300.00 5000.00 1384.00 1
++2.00865333E+01+2.91250010E-02-9.85196347E-06+1.51881375E-09-8.77061669E-14 2
++3.93905131E+03-7.60211796E+01-7.98785387E-01+7.29104436E-02-4.28677284E-05 3
++1.18818540E-08-1.16315170E-12+1.16713874E+04+3.78868290E+01 4
+C7H133-7 C 7H 13 G 300.00 5000.00 1392.00 1
++2.02595343E+01+2.94019199E-02-1.00312524E-05+1.55475333E-09-9.00969885E-14 2
++5.30761197E+03-7.73922048E+01-1.28816625E+00+7.82039641E-02-5.22552162E-05 3
++1.82427873E-08-2.64174309E-12+1.29867502E+04+3.89474921E+01 4
+C7H13O1-3 O 1C 7H 13 G 300.00 5000.00 1392.00 1
++2.53923888E+01+2.67015459E-02-8.93162555E-06+1.36776722E-09-7.86546152E-14 2
+-1.31992107E+04-1.04485728E+02-2.97186844E+00+9.50411096E-02-7.14210586E-05 3
++2.71211636E-08-4.11210980E-12-3.69998874E+03+4.68736292E+01 4
+C7H13O2-4 O 1C 7H 13 G 300.00 5000.00 1389.00 1
++2.48888884E+01+2.71728188E-02-9.10354489E-06+1.39555380E-09-8.03103189E-14 2
+-1.45377934E+04-1.02121928E+02-2.38155227E+00+9.12476056E-02-6.58712429E-05 3
++2.39221243E-08-3.45819168E-12-5.23001862E+03+4.39988302E+01 4
+C7H13O3-5 O 1C 7H 13 G 300.00 5000.00 1393.00 1
++2.46614185E+01+2.71531970E-02-9.04971128E-06+1.38224414E-09-7.93365017E-14 2
+-1.43669878E+04-1.00409922E+02-4.04764701E+00+9.94962377E-02-7.94282837E-05 3
++3.26919568E-08-5.42561898E-12-5.01665573E+03+5.17524548E+01 4
+C7H15O2-1 H 15C 7O 2 G 300.00 5000.00 1388.00 1
++2.52656556E+01+3.50803587E-02-1.21178801E-05+1.89360806E-09-1.10354125E-13 2
+-2.81113392E+04-1.00704794E+02+1.20888552E+00+8.84061706E-02-5.79861260E-05 3
++2.03574689E-08-3.06460336E-12-1.92918765E+04+2.98117097E+01 4
+C7H15O2-2 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.05407563E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.29433435E+01 4
+C7H15O2-3 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.05407563E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.29433435E+01 4
+C7H15O2-4 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.06097045E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.22538619E+01 4
+C7H15O2H-1 C 7O 2H 16 G 300.00 5000.00 1388.00 1
++2.77185802E+01+3.52624458E-02-1.22144164E-05+1.91237244E-09-1.11602067E-13 2
+-4.62267320E+04-1.14955409E+02+2.69178904E-01+9.71211877E-02-6.59765921E-05 3
++2.35449071E-08-3.52849016E-12-3.63451119E+04+3.34740655E+01 4
+C7H15O2H-2 C 7O 2H 16 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20064377E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.67137899E+01 4
+C7H15O2H-3 C 7O 2H 16 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20064377E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.67137899E+01 4
+C7H15O2H-4 C 7O 2H 16 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20753858E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.60243083E+01 4
+C7H15O-1 H 15O 1C 7 G 300.00 5000.00 1391.00 1
++2.36489937E+01+3.38195865E-02-1.15717686E-05+1.79692111E-09-1.04265757E-13 2
+-2.65280214E+04-9.48882293E+01-4.59189934E-01+8.74464647E-02-5.69015135E-05 3
++1.92195908E-08-2.68753465E-12-1.78233113E+04+3.56475170E+01 4
+C7H15O-2 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.87360860E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.77738325E+01 4
+C7H15O-3 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.87360860E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.77738325E+01 4
+C7H15O-4 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.94255677E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.70843509E+01 4
+C7H14OOH1-2 H 15C 7O 2 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-3 H 15C 7O 2 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-4 H 15C 7O 2 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-5 H 15C 7O 2 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH2-1 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH2-3 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-4 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-5 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-6 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-1 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH3-2 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-4 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-5 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-6 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-7 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH4-1 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.15572787E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.46826176E+01 4
+C7H14OOH4-2 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10891460E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.26102671E+01 4
+C7H14OOH4-3 H 15C 7O 2 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10891460E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.26102671E+01 4
+C7H14OOH1-2O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-3O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-4O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-5O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH2-1O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH2-3O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-4O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-5O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-6O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-1O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH3-2O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-4O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-5O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-6O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-7O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH4-1O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH4-2O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH4-3O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14O1-2 O 1C 7H 14 G 300.00 5000.00 1394.00 1
++2.35147269E+01+3.21674287E-02-1.10803549E-05+1.72835023E-09-1.00601041E-13 2
+-3.33352322E+04-9.74257302E+01-3.65270763E+00+9.70546060E-02-7.14482297E-05 3
++2.77781632E-08-4.48128551E-12-2.39799254E+04+4.80801402E+01 4
+C7H14O1-3 O 1C 7H 14 G 300.00 5000.00 1395.00 1
++2.26918916E+01+3.32510472E-02-1.14457765E-05+1.78455535E-09-1.03841112E-13 2
+-3.41591419E+04-9.46346563E+01-5.50036450E+00+1.00155088E-01-7.29935857E-05 3
++2.79344270E-08-4.42245696E-12-2.44292287E+04+5.64768482E+01 4
+C7H14O1-4 O 1C 7H 14 G 300.00 5000.00 1398.00 1
++2.20530468E+01+3.40541230E-02-1.16873054E-05+1.81862696E-09-1.05680270E-13 2
+-4.41822326E+04-9.24677192E+01-6.56017746E+00+1.00694520E-01-7.10466567E-05 3
++2.59142094E-08-3.86849843E-12-3.42312152E+04+6.12629813E+01 4
+C7H14O1-5 O 1C 7H 14 G 300.00 5000.00 1394.00 1
++2.27681049E+01+3.42097414E-02-1.18172110E-05+1.84695360E-09-1.07658833E-13 2
+-4.68159558E+04-1.01833212E+02-7.14726345E+00+1.02606685E-01-7.12373028E-05 3
++2.52354809E-08-3.63484271E-12-3.62821855E+04+5.93513033E+01 4
+C7H14O2-3 O 1C 7H 14 G 300.00 5000.00 1397.00 1
++2.44676947E+01+3.13508938E-02-1.07981336E-05+1.68432141E-09-9.80409528E-14 2
+-3.58726267E+04-1.03164928E+02-4.35014619E+00+1.01435718E-01-7.70541034E-05 3
++3.06059134E-08-4.99101265E-12-2.61218264E+04+5.06557622E+01 4
+C7H14O2-4 O 1C 7H 14 G 300.00 5000.00 1399.00 1
++2.32692731E+01+3.25585391E-02-1.11624906E-05+1.73573658E-09-1.00813215E-13 2
+-3.64349664E+04-9.79457278E+01-5.39477206E+00+1.01846577E-01-7.60046236E-05 3
++2.96538020E-08-4.74854370E-12-2.67118295E+04+5.51731319E+01 4
+C7H14O2-5 O 1C 7H 14 G 300.00 5000.00 1399.00 1
++2.26707471E+01+3.34803352E-02-1.14785395E-05+1.78491428E-09-1.03671828E-13 2
+-4.65307741E+04-9.61517004E+01-7.24295043E+00+1.05687256E-01-7.87952366E-05 3
++3.05899677E-08-4.86103477E-12-3.63891669E+04+6.36525527E+01 4
+C7H14O2-6 O 1C 7H 14 G 300.00 5000.00 1396.00 1
++2.33833361E+01+3.36382957E-02-1.16092281E-05+1.81335441E-09-1.05656460E-13 2
+-4.91623271E+04-1.05500759E+02-7.82017858E+00+1.07564943E-01-7.89396005E-05 3
++2.98830915E-08-4.62102018E-12-3.84419001E+04+6.16931674E+01 4
+C7H14O3-4 O 1C 7H 14 G 300.00 5000.00 1397.00 1
++2.44676947E+01+3.13508938E-02-1.07981336E-05+1.68432141E-09-9.80409528E-14 2
+-3.58726267E+04-1.03164928E+02-4.35014619E+00+1.01435718E-01-7.70541034E-05 3
++3.06059134E-08-4.99101265E-12-2.61218264E+04+5.06557622E+01 4
+C7H14O3-5 O 1C 7H 14 G 300.00 5000.00 1399.00 1
++2.32692731E+01+3.25585391E-02-1.11624906E-05+1.73573658E-09-1.00813215E-13 2
+-3.64349664E+04-9.79457278E+01-5.39477206E+00+1.01846577E-01-7.60046236E-05 3
++2.96538020E-08-4.74854370E-12-2.67118295E+04+5.51731319E+01 4
+NC7KET12 O 3C 7H 14 G 300.00 5000.00 1387.00 1
++3.14039860E+01+2.85485198E-02-9.69585695E-06+1.50017009E-09-8.68909491E-14 2
+-5.74044717E+04-1.31576613E+02-1.01240540E+00+1.08525210E-01-8.59990884E-05 3
++3.49272961E-08-5.73789850E-12-4.66314955E+04+4.09175088E+01 4
+NC7KET13 O 3C 7H 14 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET14 O 3C 7H 14 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET15 O 3C 7H 14 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET21 O 3C 7H 14 G 300.00 5000.00 1385.00 1
++3.07082732E+01+2.92465419E-02-9.95807579E-06+1.54315782E-09-8.94718150E-14 2
+-5.87615592E+04-1.27058904E+02-9.64230115E-01+1.08158991E-01-8.67775775E-05 3
++3.61807459E-08-6.14661796E-12-4.82404885E+04+4.13251144E+01 4
+NC7KET23 O 3C 7H 14 G 300.00 5000.00 1388.00 1
++3.05981614E+01+2.97258855E-02-1.01972578E-05+1.58732411E-09-9.22942417E-14 2
+-6.09638920E+04-1.27837876E+02-1.45570671E+00+1.08772384E-01-8.59757426E-05 3
++3.51095315E-08-5.83436499E-12-5.02602030E+04+4.28185431E+01 4
+NC7KET24 O 3C 7H 14 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET25 O 3C 7H 14 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET26 O 3C 7H 14 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET31 O 3C 7H 14 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET32 O 3C 7H 14 G 300.00 5000.00 1385.00 1
++3.09165578E+01+2.91258044E-02-9.92861588E-06+1.53981152E-09-8.93271341E-14 2
+-6.11708347E+04-1.29264593E+02-9.94514343E-01+1.08762100E-01-8.76137740E-05 3
++3.66478182E-08-6.24244946E-12-5.05819016E+04+4.03445313E+01 4
+NC7KET34 O 3C 7H 14 G 300.00 5000.00 1385.00 1
++3.09165578E+01+2.91258044E-02-9.92861588E-06+1.53981152E-09-8.93271341E-14 2
+-6.11708347E+04-1.29264593E+02-9.94514343E-01+1.08762100E-01-8.76137740E-05 3
++3.66478182E-08-6.24244946E-12-5.05819016E+04+4.03445313E+01 4
+NC7KET35 O 3C 7H 14 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET36 O 3C 7H 14 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET37 O 3C 7H 14 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET41 O 3C 7H 14 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET42 O 3C 7H 14 G 300.00 5000.00 1386.00 1
++2.86572867E+01+3.21567908E-02-1.11961570E-05+1.75895000E-09-1.02891960E-13 2
+-6.20252988E+04-1.16135256E+02+2.32269738E+00+9.45160149E-02-6.99057179E-05 3
++2.79772916E-08-4.74244431E-12-5.27586830E+04+2.53458269E+01 4
+NC7KET43 O 3C 7H 14 G 300.00 5000.00 1386.00 1
++2.86572867E+01+3.21567908E-02-1.11961570E-05+1.75895000E-09-1.02891960E-13 2
+-6.20252988E+04-1.16135256E+02+2.32269738E+00+9.45160149E-02-6.99057179E-05 3
++2.79772916E-08-4.74244431E-12-5.27586830E+04+2.53458269E+01 4
+C7H14OH-1 H 15O 1C 7 G 300.00 5000.00 1376.00 1
++2.41265675E+01+3.16637088E-02-1.05671043E-05+1.61536314E-09-9.27674815E-14 2
+-2.95485867E+04-9.42377369E+01+4.58848577E-01+8.04446771E-02-4.57034176E-05 3
++1.14685073E-08-8.17742081E-13-2.07641264E+04+3.50408521E+01 4
+C7H14OH-2 H 15O 1C 7 G 300.00 5000.00 1390.00 1
++2.38036547E+01+3.25612587E-02-1.09916297E-05+1.69186772E-09-9.75842145E-14 2
+-3.14956023E+04-9.26354590E+01-6.17451781E-02+8.52264839E-02-5.42481745E-05 3
++1.73728776E-08-2.20758857E-12-2.29210338E+04+3.65945984E+01 4
+C7H14OH-3 H 15O 1C 7 G 300.00 5000.00 1390.00 1
++2.38036547E+01+3.25612587E-02-1.09916297E-05+1.69186772E-09-9.75842145E-14 2
+-3.14956023E+04-9.26354590E+01-6.17451781E-02+8.52264839E-02-5.42481745E-05 3
++1.73728776E-08-2.20758857E-12-2.29210338E+04+3.65945984E+01 4
+O2C7H14OH-1 O 3H 15C 7 G 300.00 5000.00 1395.00 1
++2.69431812E+01+3.51661203E-02-1.20111248E-05+1.86268617E-09-1.07974911E-13 2
+-4.90880404E+04-1.05078319E+02+2.34060326E+00+9.23428863E-02-6.37138459E-05 3
++2.36026902E-08-3.68902757E-12-4.04140401E+04+2.73239434E+01 4
+O2C7H14OH-2 O 3H 15C 7 G 300.00 5000.00 1396.00 1
++2.78711248E+01+3.44298705E-02-1.17690678E-05+1.82617826E-09-1.05901891E-13 2
+-5.15690694E+04-1.10657303E+02+1.43173891E+00+9.81681859E-02-7.19259300E-05 3
++2.82501348E-08-4.63278447E-12-4.25022305E+04+3.07742185E+01 4
+O2C7H14OH-3 O 3H 15C 7 G 300.00 5000.00 1396.00 1
++2.78711248E+01+3.44298705E-02-1.17690678E-05+1.82617826E-09-1.05901891E-13 2
+-5.15690694E+04-1.10657303E+02+1.43173891E+00+9.81681859E-02-7.19259300E-05 3
++2.82501348E-08-4.63278447E-12-4.25022305E+04+3.07742185E+01 4
+NC5H11CHO C 6H 12O 1 G 300.00 5000.00 1384.00 1
++1.98891043E+01+2.71869340E-02-9.27391515E-06+1.43744158E-09-8.33090761E-14 2
+-3.97523444E+04-7.60741671E+01+1.37517192E+00+6.65669689E-02-4.04423050E-05 3
++1.23836270E-08-1.52905857E-12-3.28740986E+04+2.48343934E+01 4
+NC5H11CO C 6O 1H 11 G 300.00 5000.00 1383.00 1
++1.94783812E+01+2.50466029E-02-8.54861346E-06+1.32557944E-09-7.68503296E-14 2
+-2.07923937E+04-7.21995578E+01+2.14479069E+00+6.17863563E-02-3.74134690E-05 3
++1.13283795E-08-1.36917698E-12-1.43451172E+04+2.23128045E+01 4
+C5H10CHO-1 C 6O 1H 11 G 300.00 5000.00 1383.00 1
++1.94701427E+01+2.50490154E-02-8.54838759E-06+1.32543025E-09-7.68369090E-14 2
+-1.46878327E+04-7.09736169E+01+2.15377345E+00+6.19684203E-02-3.78904723E-05 3
++1.17022892E-08-1.46276094E-12-8.26278569E+03+2.33779159E+01 4
+C5H10CHO-2 C 6O 1H 11 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-3 C 6O 1H 11 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-4 C 6O 1H 11 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-5 C 6O 1H 11 G 300.00 5000.00 1395.00 1
++2.02669246E+01+2.47914857E-02-8.54953747E-06+1.33477274E-09-7.77453379E-14 2
+-2.07889535E+04-7.93060747E+01-1.26556708E+00+7.36551339E-02-5.04263913E-05 3
++1.74734247E-08-2.44116609E-12-1.31838221E+04+3.68187516E+01 4
+C4H7CHO1-4 O 1H 8C 5 G 300.00 5000.00 1379.00 1
++1.59299730E+01+1.84432887E-02-6.21997362E-06+9.57537306E-10-5.52580126E-14 2
+-1.98311071E+04-5.51771737E+01+1.30688261E+00+5.07911858E-02-3.31509980E-05 3
++1.10391295E-08-1.49578391E-12-1.45595753E+04+2.40234219E+01 4
+C4H7CO1-4 O 1C 5H 7 G 300.00 5000.00 1378.00 1
++1.54637001E+01+1.64158685E-02-5.54672481E-06+8.55055295E-10-4.93928750E-14 2
+-8.55858619E+02-5.10065564E+01+2.09347005E+00+4.59484008E-02-3.00651488E-05 3
++9.99306335E-09-1.34709811E-12+3.96659370E+03+2.14210959E+01 4
+C4H6CHO1-43 O 1C 5H 7 G 300.00 5000.00 1382.00 1
++1.54178855E+01+1.71672536E-02-5.95214751E-06+9.32713368E-10-5.44705237E-14 2
+-2.75958461E+03-5.37764772E+01+1.13728412E+00+4.85677415E-02-3.21395914E-05 3
++1.08714802E-08-1.51624448E-12+2.44080824E+03+2.36917499E+01 4
+C4H6CHO1-44 O 1C 5H 7 G 300.00 5000.00 1390.00 1
++1.54721595E+01+1.70164879E-02-5.87513255E-06+9.17941359E-10-5.34945363E-14 2
++4.99122207E+02-5.31445505E+01+7.50037894E-01+5.14805714E-02-3.71071056E-05 3
++1.40009579E-08-2.19006703E-12+5.63542979E+03+2.59488465E+01 4
+NC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1384.00 1
++1.93396071E+01+2.80294129E-02-9.64367685E-06+1.50309259E-09-8.74431874E-14 2
+-4.34308987E+04-7.38144199E+01+1.04489132E+00+6.62869241E-02-3.94849702E-05 3
++1.19083422E-08-1.47157105E-12-3.65200950E+04+2.62126637E+01 4
+NC4H9COCH2 C 6O 1H 11 G 300.00 5000.00 1387.00 1
++1.98575871E+01+2.52406370E-02-8.72522623E-06+1.36422047E-09-7.95374883E-14 2
+-2.20531958E+04-7.71140999E+01+6.57240675E-01+6.91820222E-02-4.79956182E-05 3
++1.78114857E-08-2.80456388E-12-1.51806661E+04+2.65180216E+01 4
+C4H8COCH3-1 C 6O 1H 11 G 300.00 5000.00 1384.00 1
++1.89006813E+01+2.59288818E-02-8.93525037E-06+1.39416390E-09-8.11664734E-14 2
+-1.83595544E+04-6.85988070E+01+1.83079991E+00+6.16869509E-02-3.69733811E-05 3
++1.12792095E-08-1.42170745E-12-1.19106373E+04+2.47213709E+01 4
+C4H8COCH3-2 C 6O 1H 11 G 300.00 5000.00 1365.00 1
++1.92472410E+01+2.47394219E-02-8.34917480E-06+1.28606717E-09-7.42515416E-14 2
+-1.98964461E+04-7.00732125E+01+2.32442247E+00+5.60360489E-02-2.62897892E-05 3
++3.55349257E-09+4.62560403E-13-1.32203258E+04+2.36967419E+01 4
+C4H8COCH3-3 C 6O 1H 11 G 300.00 5000.00 1365.00 1
++1.92472410E+01+2.47394219E-02-8.34917480E-06+1.28606717E-09-7.42515416E-14 2
+-1.98964461E+04-7.00732125E+01+2.32442247E+00+5.60360489E-02-2.62897892E-05 3
++3.55349257E-09+4.62560403E-13-1.32203258E+04+2.36967419E+01 4
+C4H8COCH3-4 C 6O 1H 11 G 300.00 5000.00 1387.00 1
++1.94544114E+01+2.56278187E-02-8.86916402E-06+1.38780777E-09-8.09574343E-14 2
+-2.33097365E+04-7.49578200E+01+4.64936924E-01+6.68009275E-02-4.26203243E-05 3
++1.39372398E-08-1.88407814E-12-1.63159454E+04+2.82932537E+01 4
+C4H7OOH1-4 H 8C 4O 2 G 300.00 5000.00 1393.00 1
++1.66978343E+01+1.80578399E-02-6.22476839E-06+9.71479434E-10-5.65686551E-14 2
+-1.85344720E+04-5.76609547E+01+1.79804670E+00+5.23302551E-02-3.64638246E-05 3
++1.31971888E-08-1.97165993E-12-1.32846748E+04+2.25862038E+01 4
+C4H7O1-4 O 1C 4H 7 G 300.00 5000.00 1393.00 1
++1.31417783E+01+1.64166051E-02-5.56949199E-06+8.60114769E-10-4.97230006E-14 2
++1.67967537E+03-4.16160087E+01-2.92647947E-01+4.83149119E-02-3.48133220E-05 3
++1.31921468E-08-2.06485553E-12+6.29978883E+03+3.03629978E+01 4
+C5H9OOH1-4 H 10C 5O 2 G 300.00 5000.00 1397.00 1
++2.02179950E+01+2.21511744E-02-7.60711244E-06+1.18420679E-09-6.88331594E-14 2
+-2.44297406E+04-7.58287543E+01+7.67782330E-01+6.93519317E-02-5.21650213E-05 3
++2.06237355E-08-3.35844189E-12-1.78318101E+04+2.80373555E+01 4
+C5H9O1-4 O 1C 5H 9 G 300.00 5000.00 1398.00 1
++1.66809382E+01+2.07591828E-02-7.09289768E-06+1.10031617E-09-6.37992567E-14 2
+-4.67568455E+03-5.95056483E+01-8.53018802E-01+6.41880432E-02-4.91931508E-05 3
++2.00188214E-08-3.35963237E-12+1.19509504E+03+3.38333616E+01 4
+C5H9OOH1-5 H 10C 5O 2 G 300.00 5000.00 1393.00 1
++1.98575596E+01+2.25572969E-02-7.76951451E-06+1.21189491E-09-7.05404248E-14 2
+-2.26275637E+04-7.31968346E+01+1.65166493E+00+6.41855434E-02-4.42152137E-05 3
++1.58117718E-08-2.33469388E-12-1.61856012E+04+2.49485316E+01 4
+C5H9O1-5 O 1C 5H 9 G 300.00 5000.00 1394.00 1
++1.62564642E+01+2.10561226E-02-7.18323965E-06+1.11331434E-09-6.45162851E-14 2
+-2.41003213E+03-5.69404193E+01-6.08379884E-01+6.09139191E-02-4.36395120E-05 3
++1.64966933E-08-2.58694444E-12+3.42450558E+03+3.35104649E+01 4
+C6H11OOH1-4 C 6H 12O 2 G 300.00 5000.00 1397.00 1
++2.33879230E+01+2.66182814E-02-9.13553672E-06+1.42154300E-09-8.26043195E-14 2
+-2.85211117E+04-9.14098376E+01+6.08693415E-01+8.12533376E-02-5.99544347E-05 3
++2.32306975E-08-3.71302106E-12-2.07306507E+04+3.04600742E+01 4
+C6H11O1-4 C 6O 1H 11 G 300.00 5000.00 1397.00 1
++1.99304018E+01+2.50878998E-02-8.55881248E-06+1.32642733E-09-7.68596330E-14 2
+-8.79248519E+03-7.55242129E+01-1.17611678E+00+7.67820021E-02-5.79189808E-05 3
++2.31283510E-08-3.81018248E-12-1.67830272E+03+3.70214234E+01 4
+C6H11OOH1-5 C 6H 12O 2 G 300.00 5000.00 1397.00 1
++2.33879230E+01+2.66182814E-02-9.13553672E-06+1.42154300E-09-8.26043195E-14 2
+-2.85211117E+04-9.14098376E+01+6.08693415E-01+8.12533376E-02-5.99544347E-05 3
++2.32306975E-08-3.71302106E-12-2.07306507E+04+3.04600742E+01 4
+C6H11O1-5 C 6O 1H 11 G 300.00 5000.00 1397.00 1
++1.99304018E+01+2.50878998E-02-8.55881248E-06+1.32642733E-09-7.68596330E-14 2
+-8.79248519E+03-7.55242129E+01-1.17611678E+00+7.67820021E-02-5.79189808E-05 3
++2.31283510E-08-3.81018248E-12-1.67830272E+03+3.70214234E+01 4
+C5H91-1 C 5H 9 G 300.00 5000.00 1393.00 1
++1.44574345E+01+2.00072707E-02-6.81378895E-06+1.05474728E-09-6.10665440E-14 2
++2.00271156E+04-4.97833624E+01-1.68848603E-01+5.40218667E-02-3.74233337E-05 3
++1.37866431E-08-2.12590460E-12+2.51604761E+04+2.88873177E+01 4
+C4H7CHO1-1 O 1H 8C 5 G 300.00 5000.00 1393.00 1
++1.65147810E+01+1.86176385E-02-6.41423546E-06+1.00074444E-09-5.82623258E-14 2
+-2.45132738E+04-6.08626797E+01-8.96311479E-01+6.16639930E-02-4.81456435E-05 3
++1.98018086E-08-3.35010063E-12-1.86685108E+04+3.18639054E+01 4
+C4H7CO1-1 O 1C 5H 7 G 300.00 5000.00 1394.00 1
++1.59313061E+01+1.65161742E-02-5.67719248E-06+8.84327967E-10-5.14250392E-14 2
+-8.36367262E+03-5.69425937E+01+4.61430370E-01+5.62940371E-02-4.61644186E-05 3
++2.00772412E-08-3.57227308E-12-3.30150514E+03+2.49394919E+01 4
+C4H6CHO1-14 O 1C 5H 7 G 300.00 5000.00 1393.00 1
++1.60679011E+01+1.65205734E-02-5.70629506E-06+8.91819150E-10-5.19829213E-14 2
++5.61658536E+02-5.56047479E+01-9.37897914E-02+5.69789312E-02-4.55153233E-05 3
++1.91029934E-08-3.28540832E-12+5.93885740E+03+3.02936035E+01 4
+C4H6CHO1-13 O 1C 5H 7 G 300.00 5000.00 1388.00 1
++1.65957737E+01+1.64087623E-02-5.74432894E-06+9.05904509E-10-5.31381430E-14 2
+-7.68324332E+03-6.28091961E+01-8.68106067E-01+5.81156028E-02-4.44075851E-05 3
++1.74858999E-08-2.82132259E-12-1.68831658E+03+3.06969623E+01 4
+NC3H7COC2H5 C 6H 12O 1 G 300.00 5000.00 1378.00 1
++1.99627893E+01+2.68078451E-02-9.08527269E-06+1.40288330E-09-8.11176345E-14 2
+-4.37215719E+04-7.68702768E+01+1.28300489E+00+6.70849881E-02-4.19984982E-05 3
++1.36804265E-08-1.86987155E-12-3.68039430E+04+2.48054841E+01 4
+C3H6COC2H5-1 C 6O 1H 11 G 300.00 5000.00 1380.00 1
++1.92391148E+01+2.51659147E-02-8.57508083E-06+1.32847255E-09-7.69774808E-14 2
+-1.85404890E+04-7.00617026E+01+2.08958703E+00+6.24878115E-02-3.97257078E-05 3
++1.33752941E-08-1.92193795E-12-1.21992557E+04+2.32035207E+01 4
+C3H6COC2H5-2 C 6O 1H 11 G 300.00 5000.00 1369.00 1
++1.91083648E+01+2.49004438E-02-8.41246692E-06+1.29661383E-09-7.48882792E-14 2
+-1.99334270E+04-6.89565390E+01+2.83974334E+00+5.59471569E-02-2.81954889E-05 3
++5.56103221E-09-1.03163981E-13-1.35531569E+04+2.09458274E+01 4
+C3H6COC2H5-3 C 6O 1H 11 G 300.00 5000.00 1386.00 1
++1.93409644E+01+2.56927090E-02-8.88365538E-06+1.38917272E-09-8.09982255E-14 2
+-2.33416177E+04-7.39480531E+01+8.23830406E-01+6.74626897E-02-4.57147359E-05 3
++1.66707586E-08-2.60416740E-12-1.66263615E+04+2.62565174E+01 4
+NC3H7COC2H4P C 6O 1H 11 G 300.00 5000.00 1380.00 1
++1.92391148E+01+2.51659147E-02-8.57508083E-06+1.32847255E-09-7.69774808E-14 2
+-1.85404890E+04-7.00617026E+01+2.08958703E+00+6.24878115E-02-3.97257078E-05 3
++1.33752941E-08-1.92193795E-12-1.21992557E+04+2.32035207E+01 4
+NC3H7COC2H4S C 6O 1H 11 G 300.00 5000.00 1386.00 1
++1.93409644E+01+2.56927090E-02-8.88365538E-06+1.38917272E-09-8.09982255E-14 2
+-2.33416177E+04-7.39480531E+01+8.23830406E-01+6.74626897E-02-4.57147359E-05 3
++1.66707586E-08-2.60416740E-12-1.66263615E+04+2.62565174E+01 4
+CHCHCHO H 3O 1C 3 G 300.00 5000.00 1394.00 1
++1.02666402E+01+7.09612931E-03-2.47272731E-06+3.88739735E-10-2.27523413E-14 2
++1.51653800E+04-2.79927436E+01+1.20905268E+00+3.19125216E-02-2.93443761E-05 3
++1.38077482E-08-2.58328113E-12+1.79711576E+04+1.93989644E+01 4
+C6H101-3 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H101-4 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H101-5 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H102-4 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+ETES1 C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+MVOX C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+VTHF C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+EDHF C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+C6H111O2H-4 C 6H 12O 2 G 300.00 5000.00 1392.00 1
++2.41598315E+01+2.64141743E-02-9.16604821E-06+1.43689654E-09-8.39293545E-14 2
+-2.84539273E+04-9.67105334E+01-6.71334306E-01+8.72726302E-02-6.78106371E-05 3
++2.77977889E-08-4.70536630E-12-2.00372603E+04+3.57689620E+01 4
+C6H111O2H-5 C 6H 12O 2 G 300.00 5000.00 1392.00 1
++2.41598315E+01+2.64141743E-02-9.16604821E-06+1.43689654E-09-8.39293545E-14 2
+-2.84539273E+04-9.67105334E+01-6.71334306E-01+8.72726302E-02-6.78106371E-05 3
++2.77977889E-08-4.70536630E-12-2.00372603E+04+3.57689620E+01 4
+C6H111O2H-6 C 6H 12O 2 G 300.00 5000.00 1389.00 1
++2.34008570E+01+2.70661621E-02-9.39242872E-06+1.47237442E-09-8.60004431E-14 2
+-2.61302043E+04-9.14219690E+01+3.11486807E-01+8.10135140E-02-5.85042940E-05 3
++2.22954450E-08-3.54988216E-12-1.80250145E+04+3.27265962E+01 4
+C6H112O2H-4 C 6H 12O 2 G 300.00 5000.00 1390.00 1
++2.38605691E+01+2.67263131E-02-9.28634310E-06+1.45697133E-09-8.51501903E-14 2
+-2.93238663E+04-9.57046301E+01-7.53695219E-01+8.73573674E-02-6.83958497E-05 3
++2.84775641E-08-4.91362774E-12-2.09736202E+04+3.55730105E+01 4
+C6H112O2H-5 C 6H 12O 2 G 300.00 5000.00 1390.00 1
++2.36804698E+01+2.68319366E-02-9.31237637E-06+1.45995807E-09-8.52807436E-14 2
+-2.97893970E+04-9.44537469E+01-9.77786271E-02+8.36152385E-02-6.24511953E-05 3
++2.46774273E-08-4.05915948E-12-2.15666972E+04+3.29610143E+01 4
+C6H112O2H-6 C 6H 12O 2 G 300.00 5000.00 1388.00 1
++2.29488499E+01+2.74438680E-02-9.52133333E-06+1.49235013E-09-8.71576434E-14 2
+-2.74756907E+04-8.93200393E+01+8.02060614E-01+7.77041021E-02-5.36127485E-05 3
++1.94323872E-08-2.95453196E-12-1.95415277E+04+3.03063194E+01 4
+C6H113O2H-2 C 6H 12O 2 G 300.00 5000.00 1391.00 1
++2.39772718E+01+2.66035589E-02-9.23895225E-06+1.44906345E-09-8.46695750E-14 2
+-2.92031812E+04-9.62904636E+01-1.26739750E+00+8.91469732E-02-7.04153407E-05 3
++2.94208766E-08-5.07121703E-12-2.06975087E+04+3.81839670E+01 4
+C6H113O2H-1 C 6H 12O 2 G 300.00 5000.00 1387.00 1
++2.36308952E+01+2.66617050E-02-9.30222928E-06+1.46355920E-09-8.57041772E-14 2
+-2.76274166E+04-9.32063164E+01-1.31133949E-01+8.13310493E-02-5.80494135E-05 3
++2.16450938E-08-3.36477854E-12-1.92042452E+04+3.48562905E+01 4
+NC6D1KET34 C 6O 3H 10 G 300.00 5000.00 1390.00 1
++2.57983094E+01+2.28116397E-02-8.00057802E-06+1.26322558E-09-7.41574060E-14 2
+-4.35413400E+04-1.03594800E+02-8.79937693E-01+9.06618501E-02-7.60486297E-05 3
++3.30211493E-08-5.81958510E-12-3.47639182E+04+3.78353180E+01 4
+NC6D1KET35 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.52251243E+01+2.32468040E-02-8.13790138E-06+1.28321972E-09-7.52598084E-14 2
+-4.39222295E+04-9.98386061E+01+8.59032690E-01+8.49726292E-02-7.03646845E-05 3
++3.07049154E-08-5.49124822E-12-3.58150700E+04+2.95315219E+01 4
+NC6D1KET36 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.46079059E+01+2.38193350E-02-8.34639116E-06+1.31693263E-09-7.72708520E-14 2
+-4.16806989E+04-9.54262876E+01+1.64544868E+00+7.94444833E-02-6.17833446E-05 3
++2.55121988E-08-4.38629485E-12-3.37709382E+04+2.74198430E+01 4
+NC6D1KET43 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.48134658E+01+2.36679402E-02-8.29973712E-06+1.31026548E-09-7.69086532E-14 2
+-4.14850247E+04-9.64574729E+01+1.07756600E+00+8.15204297E-02-6.41161371E-05 3
++2.66231177E-08-4.58072562E-12-3.33626466E+04+3.03700873E+01 4
+NC6D1KET45 C 6O 3H 10 G 300.00 5000.00 1390.00 1
++2.51943125E+01+2.33015181E-02-8.16424277E-06+1.28820260E-09-7.55881804E-14 2
+-4.09300018E+04-9.89201697E+01-1.36114624E+00+9.04259145E-02-7.50375115E-05 3
++3.23037734E-08-5.65763026E-12-3.21505116E+04+4.20073825E+01 4
+NC6D1KET46 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.40046171E+01+2.43109061E-02-8.51114087E-06+1.34213064E-09-7.87165658E-14 2
+-3.90699585E+04-9.07535094E+01+1.20615803E+00+7.90495420E-02-6.05529017E-05 3
++2.46670926E-08-4.19757300E-12-3.11658629E+04+3.13918111E+01 4
+NC6D1KET53 C 6O 3H 10 G 300.00 5000.00 1387.00 1
++2.47812957E+01+2.36294207E-02-8.27119017E-06+1.30416539E-09-7.64852162E-14 2
+-4.13548778E+04-9.64100793E+01+1.24868954E+00+8.16249635E-02-6.49725180E-05 3
++2.73590198E-08-4.76412072E-12-3.33627981E+04+2.91095742E+01 4
+NC6D1KET54 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.50907419E+01+2.33708456E-02-8.18394462E-06+1.29083225E-09-7.57230478E-14 2
+-4.13898543E+04-9.84066457E+01-2.01058658E-01+8.54688737E-02-6.79446523E-05 3
++2.80458376E-08-4.74057650E-12-3.28539887E+04+3.64494167E+01 4
+NC6D1KET56 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.37618794E+01+2.45055834E-02-8.57519967E-06+1.35176226E-09-7.92610624E-14 2
+-3.85143810E+04-8.93197157E+01+4.01869706E+00+6.91654483E-02-4.83997299E-05 3
++1.82279228E-08-2.94649828E-12-3.13379792E+04+1.75263729E+01 4
+NC6D1KET63 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.50462110E+01+2.33305307E-02-8.15110144E-06+1.28360076E-09-7.52125954E-14 2
+-3.75927321E+04-9.71357410E+01+1.70060879E+00+8.15598144E-02-6.58032934E-05 3
++2.80678696E-08-4.93297720E-12-2.97393488E+04+2.71300311E+01 4
+NC6D1KET64 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.47760251E+01+2.35073590E-02-8.20009414E-06+1.28997010E-09-7.55308784E-14 2
+-3.80021544E+04-9.53273681E+01+2.15202567E+00+7.90190793E-02-6.20735181E-05 3
++2.58128239E-08-4.44363386E-12-3.03069622E+04+2.54105115E+01 4
+NC6D1KET65 C 6O 3H 10 G 300.00 5000.00 1391.00 1
++2.53952898E+01+2.30473334E-02-8.05738668E-06+1.26947036E-09-7.44126533E-14 2
+-3.76433550E+04-9.93640862E+01-1.48870749E-01+8.73133093E-02-7.16904116E-05 3
++3.05825140E-08-5.31542687E-12-2.91739013E+04+3.62934571E+01 4
+NC6D2KET45 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.53327329E+01+2.32200480E-02-8.14427749E-06+1.28594516E-09-7.54918410E-14 2
+-4.48853627E+04-1.01425531E+02-3.44302412E-01+8.71469094E-02-7.08606252E-05 3
++2.99912727E-08-5.19127430E-12-3.62870364E+04+3.52066066E+01 4
+NC6D2KET46 C 6O 3H 10 G 300.00 5000.00 1438.00 1
++1.47972337E+01+2.63787617E-02-7.98793527E-06+1.13433394E-09-6.15921181E-14 2
+-3.40290783E+04-4.11916841E+01+2.04214382E+00+6.74637140E-02-5.76467507E-05 3
++2.75403606E-08-5.24364424E-12-3.07999075E+04+2.31801511E+01 4
+NC6D2KET54 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.35243117E+01+2.47724587E-02-8.68258702E-06+1.37019527E-09-8.04043024E-14 2
+-3.94701680E+04-8.86810443E+01+3.12404345E+00+6.95391264E-02-4.65433054E-05 3
++1.62779600E-08-2.41180094E-12-3.19606832E+04+2.21368632E+01 4
+NC6D2KET56 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.35243117E+01+2.47724587E-02-8.68258702E-06+1.37019527E-09-8.04043024E-14 2
+-3.94701680E+04-8.86810443E+01+3.12404345E+00+6.95391264E-02-4.65433054E-05 3
++1.62779600E-08-2.41180094E-12-3.19606832E+04+2.21368632E+01 4
+NC6D2KET64 C 6O 3H 10 G 300.00 5000.00 1387.00 1
++2.45802947E+01+2.37403050E-02-8.29551027E-06+1.30645583E-09-7.65559206E-14 2
+-3.89364374E+04-9.49639669E+01+2.24971473E+00+7.79953716E-02-6.05507316E-05 3
++2.50027046E-08-4.29772077E-12-3.12647870E+04+2.44367570E+01 4
+NC6D2KET65 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.49192976E+01+2.34620561E-02-8.20268998E-06+1.29237940E-09-7.57556255E-14 2
+-3.89849838E+04-9.71351584E+01+4.55809320E-01+8.34466520E-02-6.59538465E-05 3
++2.72040849E-08-4.60895493E-12-3.07073699E+04+3.33547639E+01 4
+NC6D3KET12 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.49365998E+01+2.35127695E-02-8.23530308E-06+1.29909614E-09-7.62141294E-14 2
+-3.90472215E+04-9.70899266E+01+4.63076404E-01+8.25462584E-02-6.39189002E-05 3
++2.57434455E-08-4.26673272E-12-3.06739450E+04+3.37910731E+01 4
+NC6D3KET21 C 6O 3H 10 G 300.00 5000.00 1383.00 1
++2.42955905E+01+2.41356158E-02-8.46727186E-06+1.33706691E-09-7.84956336E-14 2
+-4.13270251E+04-9.42415282E+01+2.56357701E+00+7.40872652E-02-5.34164996E-05 3
++2.03460526E-08-3.26583985E-12-3.35688920E+04+2.29823962E+01 4
+C6H112O2-1 C 6H 11O 2 G 300.00 5000.00 1391.00 1
++2.18247003E+01+2.61477191E-02-9.04382408E-06+1.41447358E-09-8.24824437E-14 2
+-8.68620099E+03-8.26421791E+01+1.72342389E-01+7.96365546E-02-6.17325710E-05 3
++2.58868673E-08-4.53504168E-12-1.31317497E+03+3.28552164E+01 4
+C6H111O2-3 C 6H 11O 2 G 300.00 5000.00 1391.00 1
++2.18247003E+01+2.61477191E-02-9.04382408E-06+1.41447358E-09-8.24824437E-14 2
+-8.68620099E+03-8.26421791E+01+1.72342389E-01+7.96365546E-02-6.17325710E-05 3
++2.58868673E-08-4.53504168E-12-1.31317497E+03+3.28552164E+01 4
+C6H111O2-4 C 6H 11O 2 G 300.00 5000.00 1391.00 1
++2.16615043E+01+2.62498570E-02-9.07088524E-06+1.41783876E-09-8.26433939E-14 2
+-9.15007553E+03-8.14781346E+01+2.77529293E-01+7.86289898E-02-6.01042683E-05 3
++2.48490451E-08-4.30167349E-12-1.83062566E+03+3.27344165E+01 4
+C6H111O2-5 C 6H 11O 2 G 300.00 5000.00 1391.00 1
++2.16615043E+01+2.62498570E-02-9.07088524E-06+1.41783876E-09-8.26433939E-14 2
+-9.15007553E+03-8.14781346E+01+2.77529293E-01+7.86289898E-02-6.01042683E-05 3
++2.48490451E-08-4.30167349E-12-1.83062566E+03+3.27344165E+01 4
+C6H111O2-6 C 6H 11O 2 G 300.00 5000.00 1388.00 1
++2.09441967E+01+2.68874173E-02-9.29709904E-06+1.45380527E-09-8.47641892E-14 2
+-6.85709066E+03-7.64620284E+01+1.27980301E+00+7.21524639E-02-5.02889230E-05 3
++1.89682658E-08-3.05539055E-12+1.81691439E+02+2.96253760E+01 4
+C6H112O2-4 C 6H 11O 2 G 300.00 5000.00 1389.00 1
++2.13545199E+01+2.65647098E-02-9.19147506E-06+1.43790977E-09-8.38625367E-14 2
+-1.00291675E+04-8.04485096E+01+7.09241510E-01+7.61167882E-02-5.65441627E-05 3
++2.28626264E-08-3.90914815E-12-2.83646907E+03+3.02206800E+01 4
+C6H112O2-5 C 6H 11O 2 G 300.00 5000.00 1389.00 1
++2.11830704E+01+2.66691844E-02-9.21827673E-06+1.44112100E-09-8.40098554E-14 2
+-1.04865774E+04-7.92293261E+01+8.61603309E-01+7.49248603E-02-5.46729053E-05 3
++2.16848199E-08-3.64611710E-12-3.36167444E+03+2.98764440E+01 4
+C6H112O2-6 C 6H 11O 2 G 300.00 5000.00 1387.00 1
++2.04743827E+01+2.73032958E-02-9.44419009E-06+1.47713579E-09-8.61373934E-14 2
+-8.19960133E+03-7.42677120E+01+1.83281227E+00+6.85685322E-02-4.50094020E-05 3
++1.58888653E-08-2.41748671E-12-1.34425559E+03+2.69157982E+01 4
+C6H113O2-1 C 6H 11O 2 G 300.00 5000.00 1385.00 1
++2.03167587E+01+2.74247868E-02-9.48325138E-06+1.48292781E-09-8.64620193E-14 2
+-8.09917620E+03-7.35400368E+01+2.82240306E+00+6.44791002E-02-3.94590946E-05 3
++1.27102060E-08-1.75876839E-12-1.48617135E+03+2.20302771E+01 4
+C6H113O2-2 C 6H 11O 2 G 300.00 5000.00 1390.00 1
++2.15210498E+01+2.64199917E-02-9.14096761E-06+1.42997611E-09-8.33989347E-14 2
+-9.92850970E+03-8.13291479E+01-3.02934052E-01+8.03127668E-02-6.22466191E-05 3
++2.61216993E-08-4.58234209E-12-2.49048769E+03+3.50985318E+01 4
+C6H101OOH3-4 C 6H 11O 2 G 300.00 5000.00 1389.00 1
++2.35865321E+01+2.39558178E-02-8.23516169E-06+1.28335285E-09-7.46678485E-14 2
+-4.17838818E+03-9.04585438E+01+9.52498186E-02+8.03618403E-02-6.06668109E-05 3
++2.37467937E-08-3.80814694E-12+3.83105496E+03+3.51713411E+01 4
+C6H101OOH3-5 C 6H 11O 2 G 300.00 5000.00 1389.00 1
++2.35865321E+01+2.39558178E-02-8.23516169E-06+1.28335285E-09-7.46678485E-14 2
+-4.17838818E+03-9.04585438E+01+9.52498186E-02+8.03618403E-02-6.06668109E-05 3
++2.37467937E-08-3.80814694E-12+3.83105496E+03+3.51713411E+01 4
+C6H101OOH3-6 C 6H 11O 2 G 300.00 5000.00 1391.00 1
++2.38720815E+01+2.41660837E-02-8.40279243E-06+1.31902436E-09-7.71170592E-14 2
+-2.89705656E+03-9.25485494E+01-4.56627752E-02+8.40204422E-02-6.75654515E-05 3
++2.86242771E-08-4.98055850E-12+5.09507304E+03+3.46344213E+01 4
+C6H101OOH4-3 C 6H 11O 2 G 300.00 5000.00 1392.00 1
++2.37243515E+01+2.47401711E-02-8.60684147E-06+1.35155980E-09-7.90410535E-14 2
+-1.13413060E+04-9.55723076E+01-9.10297866E-01+8.52583006E-02-6.69192636E-05 3
++2.74969957E-08-4.64326012E-12-3.02468665E+03+3.57766300E+01 4
+C6H101OOH4-5 C 6H 11O 2 G 300.00 5000.00 1389.00 1
++2.32488323E+01+2.42528100E-02-8.33845278E-06+1.29945460E-09-7.56011681E-14 2
+-4.56843145E+03-8.82821109E+01+6.31714497E-01+7.74646638E-02-5.64802642E-05 3
++2.12731200E-08-3.28310530E-12+3.24910406E+03+3.30550855E+01 4
+C6H101OOH4-6 C 6H 11O 2 G 300.00 5000.00 1392.00 1
++2.37355148E+01+2.42568015E-02-8.42850745E-06+1.32245876E-09-7.72936360E-14 2
+-3.38002357E+03-9.15558475E+01+1.32873065E-01+8.25961968E-02-6.51872823E-05 3
++2.70764415E-08-4.62921664E-12+4.56860069E+03+3.41908856E+01 4
+C6H101OOH5-3 C 6H 11O 2 G 300.00 5000.00 1392.00 1
++2.37243515E+01+2.47401711E-02-8.60684147E-06+1.35155980E-09-7.90410535E-14 2
+-1.13413060E+04-9.55723076E+01-9.10297866E-01+8.52583006E-02-6.69192636E-05 3
++2.74969957E-08-4.64326012E-12-3.02468665E+03+3.57766300E+01 4
+C6H101OOH5-4 C 6H 11O 2 G 300.00 5000.00 1389.00 1
++2.32488323E+01+2.42528100E-02-8.33845278E-06+1.29945460E-09-7.56011681E-14 2
+-4.56843145E+03-8.82821109E+01+6.31714497E-01+7.74646638E-02-5.64802642E-05 3
++2.12731200E-08-3.28310530E-12+3.24910406E+03+3.30550855E+01 4
+C6H101OOH5-6 C 6H 11O 2 G 300.00 5000.00 1392.00 1
++2.37355148E+01+2.42568015E-02-8.42850745E-06+1.32245876E-09-7.72936360E-14 2
+-3.37882072E+03-9.15558475E+01+1.32873065E-01+8.25961968E-02-6.51872823E-05 3
++2.70764415E-08-4.62921664E-12+4.56980353E+03+3.41908856E+01 4
+C6H101OOH6-3 C 6H 11O 2 G 300.00 5000.00 1389.00 1
++2.30069994E+01+2.53677322E-02-8.82729766E-06+1.38638017E-09-8.10848797E-14 2
+-9.03881549E+03-9.05352219E+01-6.08388291E-04+7.93277090E-02-5.80291325E-05 3
++2.22216224E-08-3.53369351E-12-1.00198828E+03+3.30695740E+01 4
+C6H101OOH6-4 C 6H 11O 2 G 300.00 5000.00 1380.00 1
++2.31648127E+01+2.39156984E-02-8.14392966E-06+1.26186543E-09-7.31481869E-14 2
+-2.51231039E+03-8.68162634E+01+1.12488828E+00+7.30055728E-02-4.89258020E-05 3
++1.62744046E-08-2.13927970E-12+5.34182053E+03+3.23392943E+01 4
+C6H101OOH6-5 C 6H 11O 2 G 300.00 5000.00 1380.00 1
++2.31648127E+01+2.39156984E-02-8.14392966E-06+1.26186543E-09-7.31481869E-14 2
+-2.51231039E+03-8.68162634E+01+1.12488828E+00+7.30055728E-02-4.89258020E-05 3
++1.62744046E-08-2.13927970E-12+5.34182053E+03+3.23392943E+01 4
+C6H101OOH3-4O2 C 6O 4H 11 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH3-5O2 C 6O 4H 11 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH3-6O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.77417137E+01+2.57731343E-02-9.00775991E-06+1.41883954E-09-8.31503458E-14 2
+-2.07971148E+04-1.08180759E+02+1.21543622E+00+9.32821348E-02-7.74588187E-05 3
++3.39724888E-08-6.10567238E-12-1.19955805E+04+3.25594137E+01 4
+C6H101OOH4-3O2 C 6O 4H 11 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH4-5O2 C 6O 4H 11 G 300.00 5000.00 1391.00 1
++2.82642586E+01+2.52451223E-02-8.80643745E-06+1.38537282E-09-8.11177141E-14 2
+-2.34838646E+04-1.11717074E+02+1.29384625E+00+9.53423407E-02-8.12997536E-05 3
++3.63927238E-08-6.62212513E-12-1.46985283E+04+3.08320369E+01 4
+C6H101OOH4-6O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH5-3O2 C 6O 4H 11 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH5-4O2 C 6O 4H 11 G 300.00 5000.00 1391.00 1
++2.82642586E+01+2.52451223E-02-8.80643745E-06+1.38537282E-09-8.11177141E-14 2
+-2.34838646E+04-1.11717074E+02+1.29384625E+00+9.53423407E-02-8.12997536E-05 3
++3.63927238E-08-6.62212513E-12-1.46985283E+04+3.08320369E+01 4
+C6H101OOH5-6O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH6-3O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.77417137E+01+2.57731343E-02-9.00775991E-06+1.41883954E-09-8.31503458E-14 2
+-2.07971148E+04-1.08180759E+02+1.21543622E+00+9.32821348E-02-7.74588187E-05 3
++3.39724888E-08-6.10567238E-12-1.19955805E+04+3.25594137E+01 4
+C6H101OOH6-4O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH6-5O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H102OOH5-4 C 6H 11O 2 G 300.00 5000.00 1390.00 1
++2.32752685E+01+2.51409461E-02-8.74931155E-06+1.37423314E-09-8.03786732E-14 2
+-1.26933360E+04-9.35010174E+01-4.02203129E-01+8.18778797E-02-6.19069792E-05 3
++2.45652582E-08-4.03514422E-12-4.54420456E+03+3.32729123E+01 4
+C6H103OOH1-2 C 6H 11O 2 G 300.00 5000.00 1386.00 1
++2.23753433E+01+2.59192338E-02-9.02065197E-06+1.41686858E-09-8.28719949E-14 2
+-1.02813685E+04-8.75969572E+01+1.54280561E+00+7.16314208E-02-4.71541806E-05 3
++1.59384080E-08-2.23271419E-12-2.66822299E+03+2.54748806E+01 4
+C6H102OOH4-5 C 6H 11O 2 G 300.00 5000.00 1386.00 1
++2.32398122E+01+2.41563455E-02-8.28585057E-06+1.28951635E-09-7.49613636E-14 2
+-5.56292849E+03-8.89426926E+01+5.82697759E-01+7.69938922E-02-5.55576336E-05 3
++2.06590703E-08-3.14739197E-12+2.31656586E+03+3.27785094E+01 4
+C6H102OOH4-6 C 6H 11O 2 G 300.00 5000.00 1390.00 1
++2.34491400E+01+2.45596126E-02-8.54602502E-06+1.34215244E-09-7.84946077E-14 2
+-4.25919499E+03-8.99400439E+01+4.98679078E-02+8.26265919E-02-6.56231370E-05 3
++2.76373931E-08-4.80771067E-12+3.63374932E+03+3.47019993E+01 4
+C6H102OOH5-6 C 6H 11O 2 G 300.00 5000.00 1390.00 1
++2.32562311E+01+2.46734129E-02-8.57419421E-06+1.34539437E-09-7.86366380E-14 2
+-4.71495052E+03-8.86067004E+01+7.03137830E-01+7.89566248E-02-5.98556399E-05 3
++2.39724683E-08-3.98633224E-12+3.03956769E+03+3.20891098E+01 4
+C6H102OOH6-4 C 6H 11O 2 G 300.00 5000.00 1385.00 1
++2.30773623E+01+2.50917259E-02-8.77976000E-06+1.38404736E-09-8.11587377E-14 2
+-1.06363474E+04-9.14736269E+01+5.46105318E-01+7.55506610E-02-5.20172914E-05 3
++1.83934696E-08-2.69131116E-12-2.52256179E+03+3.04271050E+01 4
+C6H102OOH6-5 C 6H 11O 2 G 300.00 5000.00 1375.00 1
++2.28661984E+01+2.40568017E-02-8.17267637E-06+1.26464679E-09-7.32521694E-14 2
+-3.92285482E+03-8.55823037E+01+1.64691737E+00+6.94744642E-02-4.35533729E-05 3
++1.30171015E-08-1.44134516E-12+3.82106194E+03+2.97878034E+01 4
+C6H103OOH2-1 C 6H 11O 2 G 300.00 5000.00 1391.00 1
++2.35706798E+01+2.44362818E-02-8.49919874E-06+1.33441074E-09-7.80267805E-14 2
+-4.14069669E+03-9.05552440E+01-5.12700845E-01+8.46518233E-02-6.80011968E-05 3
++2.88057929E-08-5.01540641E-12+3.91670434E+03+3.75351732E+01 4
+C6H102OOH4-5O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.79894624E+01+2.55285153E-02-8.91538113E-06+1.40355248E-09-8.22240440E-14 2
+-2.43730959E+04-1.10866625E+02+1.58140767E+00+9.35665623E-02-7.88770135E-05 3
++3.51187133E-08-6.38734634E-12-1.56854097E+04+2.89658218E+01 4
+C6H102OOH4-6O2 C 6O 4H 11 G 300.00 5000.00 1387.00 1
++2.72773170E+01+2.61796496E-02-9.15059792E-06+1.44140203E-09-8.44746905E-14 2
+-2.21409666E+04-1.06012850E+02+1.77730962E+00+8.96793550E-02-7.21579412E-05 3
++3.08782424E-08-5.46384052E-12-1.35246967E+04+2.98041253E+01 4
+C6H102OOH5-4O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.79894624E+01+2.55285153E-02-8.91538113E-06+1.40355248E-09-8.22240440E-14 2
+-2.43730959E+04-1.10866625E+02+1.58140767E+00+9.35665623E-02-7.88770135E-05 3
++3.51187133E-08-6.38734634E-12-1.56854097E+04+2.89658218E+01 4
+C6H102OOH5-6O2 C 6O 4H 11 G 300.00 5000.00 1387.00 1
++2.70950096E+01+2.62942321E-02-9.18082428E-06+1.44512064E-09-8.46497937E-14 2
+-2.25534667E+04-1.04639988E+02+2.61043954E+00+8.62028229E-02-6.74604084E-05 3
++2.81730962E-08-4.89693847E-12-1.41722218E+04+2.61483734E+01 4
+C6H102OOH6-4O2 C 6O 4H 11 G 300.00 5000.00 1387.00 1
++2.72773170E+01+2.61796496E-02-9.15059792E-06+1.44140203E-09-8.44746905E-14 2
+-2.21409666E+04-1.06012850E+02+1.77730962E+00+8.96793550E-02-7.21579412E-05 3
++3.08782424E-08-5.46384052E-12-1.35246967E+04+2.98041253E+01 4
+C6H102OOH6-5O2 C 6O 4H 11 G 300.00 5000.00 1387.00 1
++2.70950096E+01+2.62942321E-02-9.18082428E-06+1.44512064E-09-8.46497937E-14 2
+-2.25534667E+04-1.04639988E+02+2.61043954E+00+8.62028229E-02-6.74604084E-05 3
++2.81730962E-08-4.89693847E-12-1.41722218E+04+2.61483734E+01 4
+C6H103OOH2-1O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.74462755E+01+2.60361877E-02-9.10124714E-06+1.43372336E-09-8.40289184E-14 2
+-2.20407968E+04-1.06906811E+02+7.41773416E-01+9.40159244E-02-7.80995580E-05 3
++3.42988822E-08-6.17488044E-12-1.31761876E+04+3.47824369E+01 4
+C6H103OOH1-2O2 C 6O 4H 11 G 300.00 5000.00 1389.00 1
++2.74462755E+01+2.60361877E-02-9.10124714E-06+1.43372336E-09-8.40289184E-14 2
+-2.20407968E+04-1.06906811E+02+7.41773416E-01+9.40159244E-02-7.80995580E-05 3
++3.42988822E-08-6.17488044E-12-1.31761876E+04+3.47824369E+01 4
+C2H3COC3H7 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.86909693E+01+2.41939465E-02-8.38233377E-06+1.31252224E-09-7.65989643E-14 2
+-2.95692017E+04-7.05828250E+01+4.46467269E-01+6.64586762E-02-4.70073659E-05 3
++1.79961137E-08-2.93748963E-12-2.30628492E+04+2.77541300E+01 4
+C5H81-4 H 8C 5 G 300.00 5000.00 1393.00 1
++1.35352242E+01+1.85170786E-02-6.26984814E-06+9.66983255E-10-5.58485033E-14 2
++6.00118884E+03-4.62552894E+01-1.64766327E+00+5.54190112E-02-4.12156069E-05 3
++1.62877209E-08-2.66483052E-12+1.11493804E+04+3.48094470E+01 4
+C5H91O2-3 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++1.86702210E+01+2.16216768E-02-7.48512415E-06+1.17139079E-09-6.83358511E-14 2
+-5.94893165E+03-6.78134047E+01+3.43181024E-01+6.76700566E-02-5.38079915E-05 3
++2.31484493E-08-4.14073100E-12+2.25231466E+02+2.96899952E+01 4
+C5H91O2-4 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++1.84021744E+01+2.17923554E-02-7.53113607E-06+1.17721317E-09-6.86192272E-14 2
+-6.36049709E+03-6.60160803E+01+8.29161679E-01+6.49730353E-02-4.98486874E-05 3
++2.07535028E-08-3.62109673E-12-3.48709260E+02+2.78111162E+01 4
+C5H91O2-5 C 5O 2H 9 G 300.00 5000.00 1388.00 1
++1.77874223E+01+2.23672091E-02-7.74125889E-06+1.21125611E-09-7.06521652E-14 2
+-4.11946666E+03-6.30035459E+01+1.45241685E+00+6.01856302E-02-4.23740334E-05 3
++1.62426968E-08-2.66522777E-12+1.71964569E+03+2.50683944E+01 4
+C5H81OOH3-4 C 5O 2H 9 G 300.00 5000.00 1387.00 1
++2.04736244E+01+1.93718338E-02-6.65285950E-06+1.03631449E-09-6.02831329E-14 2
+-1.02391566E+02-7.51780148E+01+3.21512682E-01+6.81363037E-02-5.23290322E-05 3
++2.07388630E-08-3.35294073E-12+6.71931786E+03+3.24418970E+01 4
+C5H81OOH3-5 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++2.07195327E+01+1.96364025E-02-6.84241764E-06+1.07563823E-09-6.29511640E-14 2
++1.19896467E+03-7.63467720E+01+1.22655285E-01+7.20652015E-02-5.96557159E-05 3
++2.58930340E-08-4.58741292E-12+7.99306548E+03+3.28640779E+01 4
+C5H81OOH4-3 C 5O 2H 9 G 300.00 5000.00 1395.00 1
++2.13003585E+01+1.95078183E-02-6.78481644E-06+1.06526973E-09-6.22918022E-14 2
+-6.03638639E+03-8.32373187E+01-1.09905666E+00+7.85076363E-02-6.81368662E-05 3
++3.06237682E-08-5.54283245E-12+1.12681194E+03+3.47817523E+01 4
+C5H81OOH4-5 C 5O 2H 9 G 300.00 5000.00 1392.00 1
++2.05400792E+01+1.97587133E-02-6.87784366E-06+1.08045541E-09-6.32025760E-14 2
++7.38073415E+02-7.50954151E+01+3.38002912E-01+7.05163186E-02-5.72050085E-05 3
++2.43500517E-08-4.24439952E-12+7.46051091E+03+3.22447136E+01 4
+C5H81OOH5-4 C 5O 2H 9 G 300.00 5000.00 1378.00 1
++1.99797637E+01+1.94783902E-02-6.63044969E-06+1.02741023E-09-5.95687008E-14 2
++1.58234802E+03-7.18412080E+01+1.40984227E+00+6.05508825E-02-4.03214237E-05 3
++1.31746719E-08-1.67859779E-12+8.22059330E+03+2.86434933E+01 4
+C5H81OOH5-3 C 5O 2H 9 G 300.00 5000.00 1392.00 1
++2.06841270E+01+2.00877308E-02-6.99755273E-06+1.09981315E-09-6.43576906E-14 2
+-3.79637676E+03-8.02196830E+01-4.80015195E-01+7.37366908E-02-6.06933626E-05 3
++2.61394273E-08-4.59439636E-12+3.19591805E+03+3.20592964E+01 4
+C5H92O2-1 C 5O 2H 9 G 300.00 5000.00 1382.00 1
++1.73081531E+01+2.28361563E-02-7.91701528E-06+1.24017112E-09-7.23964243E-14 2
+-4.77473659E+03-6.09976106E+01+3.26704287E+00+5.11396085E-02-2.90627615E-05 3
++8.29183575E-09-9.77238694E-13+6.87723123E+02+1.62365492E+01 4
+C5H81OOH3-4O2 O 4C 5H 9 G 300.00 5000.00 1391.00 1
++2.51899540E+01+2.06629888E-02-7.23143253E-06+1.14009288E-09-6.68582448E-14 2
+-2.02995332E+04-9.58973374E+01+7.00675697E-01+8.61763030E-02-7.69681261E-05 3
++3.56494726E-08-6.63419204E-12-1.25103846E+04+3.28746076E+01 4
+C5H81OOH3-5O2 O 4C 5H 9 G 300.00 5000.00 1388.00 1
++2.45930237E+01+2.12211773E-02-7.43558644E-06+1.17319038E-09-6.88358634E-14 2
+-1.80568519E+04-9.33693862E+01+1.50852696E+00+8.07768050E-02-6.87240343E-05 3
++3.07180782E-08-5.59438096E-12-1.04758678E+04+2.88278214E+01 4
+C5H81OOH4-3O2 O 4C 5H 9 G 300.00 5000.00 1391.00 1
++2.51899540E+01+2.06629888E-02-7.23143253E-06+1.14009288E-09-6.68582448E-14 2
+-2.02995332E+04-9.58973374E+01+7.00675697E-01+8.61763030E-02-7.69681261E-05 3
++3.56494726E-08-6.63419204E-12-1.25103846E+04+3.28746076E+01 4
+C5H81OOH4-5O2 O 4C 5H 9 G 300.00 5000.00 1389.00 1
++2.43180086E+01+2.14111651E-02-7.49110481E-06+1.18078372E-09-6.92336785E-14 2
+-1.84737378E+04-9.15550695E+01+1.76455657E+00+7.89923440E-02-6.60490017E-05 3
++2.90938793E-08-5.24124922E-12-1.10119071E+04+2.80364294E+01 4
+C5H81OOH5-3O2 O 4C 5H 9 G 300.00 5000.00 1388.00 1
++2.45930237E+01+2.12211773E-02-7.43558644E-06+1.17319038E-09-6.88358634E-14 2
+-1.80568519E+04-9.33693862E+01+1.50852696E+00+8.07768050E-02-6.87240343E-05 3
++3.07180782E-08-5.59438096E-12-1.04758678E+04+2.88278214E+01 4
+C5H81OOH5-4O2 O 4C 5H 9 G 300.00 5000.00 1389.00 1
++2.43180086E+01+2.14111651E-02-7.49110481E-06+1.18078372E-09-6.92336785E-14 2
+-1.84737378E+04-9.15550695E+01+1.76455657E+00+7.89923440E-02-6.60490017E-05 3
++2.90938793E-08-5.24124922E-12-1.10119071E+04+2.80364294E+01 4
+NC5D1KET34 O 3H 8C 5 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET35 O 3H 8C 5 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET43 O 3H 8C 5 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET45 O 3H 8C 5 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET53 O 3H 8C 5 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET54 O 3H 8C 5 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+CY3C5H8O O 1H 8C 5 G 300.00 5000.00 1402.00 1
++1.67912845E+01+1.86881223E-02-6.41180595E-06+9.97554346E-10-5.79620662E-14 2
+-1.05005341E+04-6.49852651E+01-4.02699181E+00+7.41038879E-02-6.41370347E-05 3
++2.86307024E-08-5.12072635E-12-3.95617677E+03+4.44028774E+01 4
+C5H92O2-4 C 5O 2H 9 G 300.00 5000.00 1386.00 1
++1.87422756E+01+2.13380683E-02-7.43357984E-06+1.16828688E-09-6.83588686E-14 2
+-7.54450706E+03-6.87582545E+01+9.01375645E-01+6.38528130E-02-4.77374522E-05 3
++1.92787152E-08-3.28774895E-12-1.29733332E+03+2.69893904E+01 4
+C5H92O2-5 C 5O 2H 9 G 300.00 5000.00 1383.00 1
++1.78573852E+01+2.20909964E-02-7.69351743E-06+1.20887677E-09-7.07226905E-14 2
+-5.71648590E+03-6.32438068E+01+2.01314892E+00+5.63508696E-02-3.62787502E-05 3
++1.23633332E-08-1.81156485E-12+1.96633604E+02+2.30545262E+01 4
+C5H82OOH4-5 C 5O 2H 9 G 300.00 5000.00 1390.00 1
++2.02523998E+01+2.00480932E-02-6.98766359E-06+1.09864079E-09-6.43037097E-14 2
+-1.44634187E+02-7.41677167E+01+6.61394013E-01+6.85351930E-02-5.44450677E-05 3
++2.28501169E-08-3.95647262E-12+6.46965092E+03+3.02230223E+01 4
+C5H82OOH5-4 C 5O 2H 9 G 300.00 5000.00 1386.00 1
++1.94018576E+01+2.12205528E-02-7.39842947E-06+1.16347432E-09-6.81095377E-14 2
+-5.23334287E+03-7.36138989E+01+6.35397416E-01+6.41576696E-02-4.53679801E-05 3
++1.67174432E-08-2.56598098E-12+1.43967333E+03+2.76051099E+01 4
+C5H82OOH4-5O2 O 4C 5H 9 G 300.00 5000.00 1385.00 1
++2.47038351E+01+2.08612744E-02-7.34831615E-06+1.16354536E-09-6.84394748E-14 2
+-1.96566109E+04-9.45061735E+01+2.01349275E+00+7.72630274E-02-6.31038478E-05 3
++2.70928041E-08-4.78676630E-12-1.19932070E+04+2.63607326E+01 4
+C5H82OOH5-4O2 O 4C 5H 9 G 300.00 5000.00 1385.00 1
++2.47038351E+01+2.08612744E-02-7.34831615E-06+1.16354536E-09-6.84394748E-14 2
+-1.96566109E+04-9.45061735E+01+2.01349275E+00+7.72630274E-02-6.31038478E-05 3
++2.70928041E-08-4.78676630E-12-1.19932070E+04+2.63607326E+01 4
+NC5D2KET45 O 3H 8C 5 G 300.00 5000.00 1379.00 1
++2.09987749E+01+1.97036451E-02-6.93515196E-06+1.09752667E-09-6.45309266E-14 2
+-3.79899302E+04-7.93500933E+01+3.71881929E+00+5.80429795E-02-3.99351130E-05 3
++1.44076499E-08-2.20489062E-12-3.16671772E+04+1.43761257E+01 4
+NC5D2KET54 O 3H 8C 5 G 300.00 5000.00 1386.00 1
++2.16296900E+01+1.91055629E-02-6.71524234E-06+1.06179912E-09-6.23944658E-14 2
+-3.53019453E+04-8.07651220E+01+1.61871337E+00+6.65051584E-02-5.04588167E-05 3
++1.98352113E-08-3.21601142E-12-2.83651200E+04+2.65655885E+01 4
+IC5H12 H 12C 5 G 300.00 5000.00 1390.00 1
++1.57545572E+01+2.63925840E-02-9.07431001E-06+1.41352979E-09-8.21942294E-14 2
+-2.70716747E+04-6.15171687E+01-1.19612542E+00+6.27763972E-02-3.86703566E-05 3
++1.23853668E-08-1.66433269E-12-2.07618289E+04+3.08281594E+01 4
+AC5H11 C 5H 11 G 300.00 5000.00 1389.00 1
++1.53402738E+01+2.42432570E-02-8.34319703E-06+1.30047471E-09-7.56543396E-14 2
+-2.00798022E+03-5.64358577E+01-4.41189766E-01+5.82769785E-02-3.62582727E-05 3
++1.17829592E-08-1.61384222E-12+3.85322010E+03+2.94875430E+01 4
+BC5H11 C 5H 11 G 300.00 5000.00 1378.00 1
++1.38978149E+01+2.54963909E-02-8.78132157E-06+1.36944491E-09-7.96929021E-14 2
+-3.85892889E+03-4.73886894E+01+2.35820469E+00+4.30754444E-02-1.43015489E-05 3
+-1.04411703E-09+1.06104659E-12+1.20929341E+03+1.81181461E+01 4
+CC5H11 C 5H 11 G 300.00 5000.00 1384.00 1
++1.49364897E+01+2.42796217E-02-8.29146318E-06+1.28598475E-09-7.45598253E-14 2
+-3.26451818E+03-5.37259413E+01-1.19871928E-01+5.38690197E-02-2.83955259E-05 3
++6.45727746E-09-3.73260779E-13+2.56014235E+03+2.91794990E+01 4
+DC5H11 C 5H 11 G 300.00 5000.00 1389.00 1
++1.53402738E+01+2.42432570E-02-8.34319703E-06+1.30047471E-09-7.56543396E-14 2
+-2.00798022E+03-5.64358577E+01-4.41189766E-01+5.82769785E-02-3.62582727E-05 3
++1.17829592E-08-1.61384222E-12+3.85322010E+03+2.94875430E+01 4
+AC5H10 H 10C 5 G 300.00 5000.00 1391.00 1
++1.45614087E+01+2.25370538E-02-7.70100060E-06+1.19467870E-09-6.92704808E-14 2
+-1.18004520E+04-5.30651959E+01-2.76630603E-01+5.53539280E-02-3.54499620E-05 3
++1.19626854E-08-1.69878242E-12-6.39547297E+03+2.73911578E+01 4
+BC5H10 H 10C 5 G 300.00 5000.00 1385.00 1
++1.39945443E+01+2.29446582E-02-7.82594153E-06+1.21260230E-09-7.02518457E-14 2
+-1.31576943E+04-5.04083848E+01+1.20274147E+00+4.78872107E-02-2.48144766E-05 3
++5.73514355E-09-3.91266685E-13-8.15212335E+03+2.01592579E+01 4
+CC5H10 H 10C 5 G 300.00 5000.00 1393.00 1
++1.46491909E+01+2.25422061E-02-7.72053001E-06+1.19958604E-09-6.96317745E-14 2
+-1.11652332E+04-5.42252285E+01-1.83685605E+00+6.07709466E-02-4.21592576E-05 3
++1.56103972E-08-2.43142766E-12-5.34864282E+03+3.45203543E+01 4
+AC5H9-A2 C 5H 9 G 300.00 5000.00 1395.00 1
++1.49750409E+01+2.01225887E-02-6.88146417E-06+1.06814445E-09-6.19590521E-14 2
++6.44627469E+03-5.54559389E+01-1.21033758E+00+5.99270218E-02-4.54161848E-05 3
++1.84720758E-08-3.12471510E-12+1.19236049E+04+3.08551263E+01 4
+AC5H9-C C 5H 9 G 300.00 5000.00 1391.00 1
++1.41589519E+01+2.08476156E-02-7.13922935E-06+1.10922683E-09-6.43869471E-14 2
++5.29567020E+03-5.21277925E+01-5.80051463E-01+5.36314838E-02-3.49295541E-05 3
++1.18648559E-08-1.67777526E-12+1.06267222E+04+2.76937030E+01 4
+AC5H9-D C 5H 9 G 300.00 5000.00 1391.00 1
++1.41324788E+01+2.04049427E-02-6.97672248E-06+1.08277127E-09-6.28002919E-14 2
++1.32704144E+04-4.78974756E+01+5.16043332E-01+5.06942079E-02-3.28148436E-05 3
++1.12295970E-08-1.62046694E-12+1.82137239E+04+2.58745040E+01 4
+CC5H9-A C 5H 9 G 300.00 5000.00 1393.00 1
++1.42217097E+01+2.04119170E-02-6.99754727E-06+1.08794956E-09-6.31801197E-14 2
++1.39046190E+04-4.90671831E+01-1.05084059E+00+5.61469987E-02-3.95783698E-05 3
++1.49122501E-08-2.36114833E-12+1.92613631E+04+3.30330899E+01 4
+CC5H9-B C 5H 9 G 300.00 5000.00 1390.00 1
++1.37488177E+01+2.12968668E-02-7.31667105E-06+1.13927710E-09-6.62322892E-14 2
++4.95421077E+03-5.04875121E+01-1.34298383E+00+5.40081867E-02-3.39256098E-05 3
++1.08403555E-08-1.41074687E-12+1.04932842E+04+3.15398815E+01 4
+AC5H9O-A2 O 1C 5H 9 G 300.00 5000.00 1389.00 1
++1.67122590E+01+2.04099546E-02-6.90863640E-06+1.06549630E-09-6.15447496E-14 2
+-3.50286187E+03-6.02787551E+01+5.17938968E-01+5.70752047E-02-3.82547549E-05 3
++1.31238593E-08-1.82693101E-12+2.22660063E+03+2.70905436E+01 4
+AC5H9O-C O 1C 5H 9 G 300.00 5000.00 1395.00 1
++1.85587275E+01+1.84066669E-02-6.13501346E-06+9.37166339E-10-5.37971701E-14 2
+-6.48338717E+03-7.12211423E+01-1.71420068E+00+6.90797467E-02-5.47098033E-05 3
++2.21062909E-08-3.58067814E-12+1.31695143E+02+3.63260717E+01 4
+CC5H9O-B O 1C 5H 9 G 300.00 5000.00 1462.00 1
++2.16481795E+01+1.80406173E-02-6.50182738E-06+1.04533712E-09-6.21435998E-14 2
+-9.81113059E+03-7.07098941E+01+3.19377260E+00+4.36720049E-02-6.98357532E-06 3
+-1.04919571E-08+3.89181602E-12-1.82629880E+03+3.43211965E+01 4
+AC5H11O2H H 12C 5O 2 G 300.00 5000.00 1389.00 1
++2.15869555E+01+2.60547378E-02-9.04237813E-06+1.41759111E-09-8.28040951E-14 2
+-3.92453114E+04-8.56421742E+01+4.44069067E-02+7.54766150E-02-5.29823124E-05 3
++1.95568070E-08-3.02181540E-12-3.15882975E+04+3.05187853E+01 4
+BC5H11O2H H 12C 5O 2 G 300.00 5000.00 1390.00 1
++2.23401401E+01+2.54352935E-02-8.83297551E-06+1.38533290E-09-8.09425716E-14 2
+-4.24295728E+04-9.23957723E+01-3.97508721E-01+8.06823461E-02-6.18334513E-05 3
++2.52285752E-08-4.28329298E-12-3.46399602E+04+2.91428737E+01 4
+CC5H11O2H H 12C 5O 2 G 300.00 5000.00 1391.00 1
++2.23595350E+01+2.53908945E-02-8.81185324E-06+1.38146156E-09-8.06948998E-14 2
+-4.18265064E+04-9.09747015E+01-9.88450790E-01+8.19484869E-02-6.25711181E-05 3
++2.52160156E-08-4.20884962E-12-3.38441892E+04+3.38309021E+01 4
+DC5H11O2H H 12C 5O 2 G 300.00 5000.00 1389.00 1
++2.15869555E+01+2.60547378E-02-9.04237813E-06+1.41759111E-09-8.28040951E-14 2
+-3.92453114E+04-8.63316558E+01+4.44069067E-02+7.54766150E-02-5.29823124E-05 3
++1.95568070E-08-3.02181540E-12-3.15882975E+04+2.98293036E+01 4
+AC5H11O2 C 5H 11O 2 G 300.00 5000.00 1387.00 1
++1.91305682E+01+2.58734361E-02-8.94564539E-06+1.39874818E-09-8.15496670E-14 2
+-2.13288691E+04-7.13684976E+01+1.04508498E+00+6.64953216E-02-4.46034597E-05 3
++1.61325645E-08-2.50633537E-12-1.47457019E+04+2.65731566E+01 4
+BC5H11O2 C 5H 11O 2 G 300.00 5000.00 1389.00 1
++1.98915257E+01+2.52452528E-02-8.73274408E-06+1.36589254E-09-7.96512543E-14 2
+-2.45148127E+04-7.81645112E+01+5.49333341E-01+7.19635121E-02-5.38513921E-05 3
++2.20477878E-08-3.82067005E-12-1.77899294E+04+2.54413184E+01 4
+CC5H11O2 C 5H 11O 2 G 300.00 5000.00 1390.00 1
++1.98562654E+01+2.52285636E-02-8.71686439E-06+1.36237600E-09-7.94050428E-14 2
+-2.38775750E+04-7.64008223E+01-4.18072125E-02+7.33312133E-02-5.49267268E-05 3
++2.23135986E-08-3.81632892E-12-1.69961470E+04+3.01128849E+01 4
+DC5H11O2 C 5H 11O 2 G 300.00 5000.00 1387.00 1
++1.91305682E+01+2.58734361E-02-8.94564539E-06+1.39874818E-09-8.15496670E-14 2
+-2.13288691E+04-7.20579792E+01+1.04508498E+00+6.64953216E-02-4.46034597E-05 3
++1.61325645E-08-2.50633537E-12-1.47457019E+04+2.58836750E+01 4
+AC5H11O O 1C 5H 11 G 300.00 5000.00 1393.00 1
++1.75869049E+01+2.45367427E-02-8.37092452E-06+1.29739442E-09-7.51829993E-14 2
+-1.95805248E+04-6.59883636E+01-9.19732265E-01+6.67848684E-02-4.52387295E-05 3
++1.59896239E-08-2.33753316E-12-1.30295529E+04+3.37952790E+01 4
+BC5H11O O 1C 5H 11 G 300.00 5000.00 1394.00 1
++1.82069801E+01+2.41156964E-02-8.24753836E-06+1.28029203E-09-7.42707701E-14 2
+-2.31211937E+04-7.15376167E+01-9.58911487E-01+7.02275401E-02-5.16299649E-05 3
++2.02646116E-08-3.31507815E-12-1.65446528E+04+3.10108152E+01 4
+CC5H11O O 1C 5H 11 G 300.00 5000.00 1394.00 1
++1.79690528E+01+2.45047519E-02-8.42212090E-06+1.31167041E-09-7.62623929E-14 2
+-2.18981212E+04-6.91606112E+01-1.17934351E+00+6.99941133E-02-5.06899867E-05 3
++1.96175724E-08-3.17877376E-12-1.52526970E+04+3.35279941E+01 4
+DC5H11O O 1C 5H 11 G 300.00 5000.00 1393.00 1
++1.75869049E+01+2.45367427E-02-8.37092452E-06+1.29739442E-09-7.51829993E-14 2
+-1.95805248E+04-6.66778452E+01-9.19732265E-01+6.67848684E-02-4.52387295E-05 3
++1.59896239E-08-2.33753316E-12-1.30295529E+04+3.31057974E+01 4
+AC5H10OOH-A C 5H 11O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.05905291E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.90353800E+01 4
+AC5H10OOH-B C 5H 11O 2 G 300.00 5000.00 1396.00 1
++1.83971804E+01+2.51599624E-02-8.49818403E-06+1.30795807E-09-7.54165072E-14 2
+-1.43214038E+04-6.12419736E+01+3.58789128E+00+5.71245256E-02-3.42556446E-05 3
++1.05253611E-08-1.31115444E-12-8.87735184E+03+1.92877629E+01 4
+AC5H10OOH-C C 5H 11O 2 G 300.00 5000.00 1379.00 1
++2.12375512E+01+2.31283536E-02-7.89600878E-06+1.22535095E-09-7.11019018E-14 2
+-1.55928844E+04-8.04254070E+01+9.16725969E-01+6.72427603E-02-4.31327712E-05 3
++1.34482819E-08-1.60817257E-12-8.23140321E+03+2.98515047E+01 4
+AC5H10OOH-D C 5H 11O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.05905291E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.90353800E+01 4
+BC5H10OOH-A C 5H 11O 2 G 300.00 5000.00 1390.00 1
++2.19189546E+01+2.32732351E-02-8.09345412E-06+1.27055477E-09-7.42859874E-14 2
+-1.73602442E+04-8.72651740E+01+5.11498358E-01+7.54442595E-02-5.82826916E-05 3
++2.38983670E-08-4.06813453E-12-1.00467158E+04+2.71001483E+01 4
+BC5H10OOH-C C 5H 11O 2 G 300.00 5000.00 1387.00 1
++2.14861952E+01+2.33370570E-02-8.05076237E-06+1.25735030E-09-7.32587422E-14 2
+-1.85948986E+04-8.43704486E+01+9.24581905E-01+7.06635159E-02-4.98634535E-05 3
++1.82112320E-08-2.74283122E-12-1.13548266E+04+2.63586978E+01 4
+BC5H10OOH-D C 5H 11O 2 G 300.00 5000.00 1390.00 1
++2.19189546E+01+2.32732351E-02-8.09345412E-06+1.27055477E-09-7.42859874E-14 2
+-1.73602442E+04-8.72651740E+01+5.11498358E-01+7.54442595E-02-5.82826916E-05 3
++2.38983670E-08-4.06813453E-12-1.00467158E+04+2.71001483E+01 4
+CC5H10OOH-A C 5H 11O 2 G 300.00 5000.00 1391.00 1
++2.19354136E+01+2.32306883E-02-8.07273382E-06+1.26671388E-09-7.40385402E-14 2
+-1.67498552E+04-8.58152001E+01-1.63294785E-01+7.72022052E-02-5.98591721E-05 3
++2.44432949E-08-4.12159119E-12-9.24143418E+03+3.21519047E+01 4
+CC5H10OOH-B C 5H 11O 2 G 300.00 5000.00 1383.00 1
++2.05037039E+01+2.44417681E-02-8.48903925E-06+1.33151458E-09-7.78033634E-14 2
+-1.85742448E+04-7.74485218E+01+3.35857532E+00+5.91592771E-02-3.38846200E-05 3
++9.18399374E-09-9.16127182E-13-1.20054171E+04+1.66606404E+01 4
+CC5H10OOH-D C 5H 11O 2 G 300.00 5000.00 1391.00 1
++2.19354136E+01+2.32306883E-02-8.07273382E-06+1.26671388E-09-7.40385402E-14 2
+-1.67498552E+04-8.58152001E+01-1.63294785E-01+7.72022052E-02-5.98591721E-05 3
++2.44432949E-08-4.12159119E-12-9.24143418E+03+3.21519047E+01 4
+DC5H10OOH-A C 5H 11O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.16876605E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.79382486E+01 4
+DC5H10OOH-B C 5H 11O 2 G 300.00 5000.00 1378.00 1
++1.97619617E+01+2.51237235E-02-8.73586300E-06+1.37125464E-09-8.01665463E-14 2
+-1.60405748E+04-7.30602183E+01+3.96384200E+00+5.42183007E-02-2.62672446E-05 3
++4.65724194E-09+3.00460518E-14-9.67478947E+03+1.47219740E+01 4
+DC5H10OOH-C C 5H 11O 2 G 300.00 5000.00 1379.00 1
++2.12375512E+01+2.31283536E-02-7.89600878E-06+1.22535095E-09-7.11019018E-14 2
+-1.55928844E+04-8.11148886E+01+9.16725969E-01+6.72427603E-02-4.31327712E-05 3
++1.34482819E-08-1.60817257E-12-8.23140321E+03+2.91620231E+01 4
+A-AC5H10O H 10O 1C 5 G 300.00 5000.00 1371.00 1
++1.80576624E+01+2.21664890E-02-7.87642300E-06+1.25444585E-09-7.40861328E-14 2
+-2.50353632E+04-7.53718782E+01-3.12406832E+00+6.53619579E-02-3.97637688E-05 3
++1.12697830E-08-1.18120030E-12-1.69737388E+04+4.07521583E+01 4
+A-BC5H10O H 10O 1C 5 G 300.00 5000.00 1382.00 1
++1.86652877E+01+2.13598734E-02-7.52975880E-06+1.19287800E-09-7.01891378E-14 2
+-2.77496616E+04-7.75749394E+01-2.76334033E+00+7.23487211E-02-5.55616263E-05 3
++2.25658441E-08-3.82992076E-12-2.02677933E+04+3.74075826E+01 4
+A-CC5H10O H 10O 1C 5 G 300.00 5000.00 1373.00 1
++1.87148832E+01+2.16122625E-02-7.68638433E-06+1.22492227E-09-7.23734176E-14 2
+-2.74336223E+04-7.86661849E+01-3.51633623E+00+6.86975884E-02-4.46579237E-05 3
++1.40670556E-08-1.74934766E-12-1.91663581E+04+4.25589840E+01 4
+A-DC5H10O H 10O 1C 5 G 300.00 5000.00 1368.00 1
++1.73081373E+01+2.28491250E-02-8.12276465E-06+1.29408434E-09-7.64438847E-14 2
+-3.52062516E+04-7.10628522E+01-4.14429760E+00+6.51989562E-02-3.73536626E-05 3
++9.22783007E-09-6.73298964E-13-2.69163477E+04+4.70167331E+01 4
+B-CC5H10O H 10O 1C 5 G 300.00 5000.00 1385.00 1
++1.92598600E+01+2.08099611E-02-7.32974772E-06+1.16055317E-09-6.82613470E-14 2
+-3.00830774E+04-8.18004129E+01-3.37535249E+00+7.70352310E-02-6.28442248E-05 3
++2.69389203E-08-4.75190161E-12-2.24367836E+04+3.87826632E+01 4
+B-DC5H10O H 10O 1C 5 G 300.00 5000.00 1373.00 1
++1.87653667E+01+2.15362849E-02-7.65224713E-06+1.21871934E-09-7.19753198E-14 2
+-2.85747158E+04-8.06460279E+01-2.73108687E+00+6.70391324E-02-4.35138990E-05 3
++1.38175873E-08-1.75593164E-12-2.05593275E+04+3.66133237E+01 4
+C-DC5H10O H 10O 1C 5 G 300.00 5000.00 1383.00 1
++1.85201884E+01+2.14489156E-02-7.55266486E-06+1.19562146E-09-7.03146400E-14 2
+-2.65081886E+04-7.62917959E+01-3.17722836E+00+7.29625837E-02-5.57042158E-05 3
++2.23478002E-08-3.73315078E-12-1.89470828E+04+4.01292996E+01 4
+AC5H10OOH-AO2 O 4C 5H 11 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.75894162E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.57292878E+01 4
+AC5H10OOH-BO2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.02781946E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.38579305E+01 4
+AC5H10OOH-CO2 O 4C 5H 11 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+AC5H10OOH-DO2 O 4C 5H 11 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.68999345E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.64187695E+01 4
+BC5H10OOH-AO2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.02781946E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.38579305E+01 4
+BC5H10OOH-CO2 O 4C 5H 11 G 300.00 5000.00 1390.00 1
++2.63952675E+01+2.43055030E-02-8.48674313E-06+1.33591350E-09-7.82551637E-14 2
+-3.90346893E+04-1.07185707E+02+1.10269679E+00+8.96149117E-02-7.57659375E-05 3
++3.37962095E-08-6.15184496E-12-3.07320340E+04+2.66826386E+01 4
+BC5H10OOH-DO2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.03471427E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.31684489E+01 4
+CC5H10OOH-AO2 O 4C 5H 11 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+CC5H10OOH-BO2 O 4C 5H 11 G 300.00 5000.00 1390.00 1
++2.63952675E+01+2.43055030E-02-8.48674313E-06+1.33591350E-09-7.82551637E-14 2
+-3.90346893E+04-1.07185707E+02+1.10269679E+00+8.96149117E-02-7.57659375E-05 3
++3.37962095E-08-6.15184496E-12-3.07320340E+04+2.66826386E+01 4
+CC5H10OOH-DO2 O 4C 5H 11 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+DC5H10OOH-AO2 O 4C 5H 11 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.68999345E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.64187695E+01 4
+DC5H10OOH-BO2 O 4C 5H 11 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.03471427E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.31684489E+01 4
+DC5H10OOH-CO2 O 4C 5H 11 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+IC5KETAA H 10O 3C 5 G 300.00 5000.00 1388.00 1
++2.27018201E+01+2.27623983E-02-7.95317701E-06+1.25254826E-09-7.33995564E-14 2
+-4.88049225E+04-8.74481434E+01+5.36600103E-01+7.50896887E-02-5.59977257E-05 3
++2.17307506E-08-3.48563492E-12-4.11064564E+04+3.14936271E+01 4
+IC5KETAB H 10O 3C 5 G 300.00 5000.00 1389.00 1
++2.40842006E+01+2.16434154E-02-7.58091068E-06+1.19599268E-09-7.01732329E-14 2
+-5.18763832E+04-9.75616536E+01+9.90030235E-01+7.52486642E-02-5.50772372E-05 3
++2.03582394E-08-3.04665058E-12-4.38361216E+04+2.65683915E+01 4
+IC5KETAC H 10O 3C 5 G 300.00 5000.00 1391.00 1
++2.34683563E+01+2.20730486E-02-7.70715635E-06+1.21330946E-09-7.10816173E-14 2
+-5.13782035E+04-9.20403381E+01+1.99303977E-01+7.83179542E-02-6.05722648E-05 3
++2.41968274E-08-3.95435215E-12-4.34638912E+04+3.22981679E+01 4
+IC5KETAD H 10O 3C 5 G 300.00 5000.00 1388.00 1
++2.27018201E+01+2.27623983E-02-7.95317701E-06+1.25254826E-09-7.33995564E-14 2
+-4.88049225E+04-8.74481434E+01+5.36600103E-01+7.50896887E-02-5.59977257E-05 3
++2.17307506E-08-3.48563492E-12-4.11064564E+04+3.14936271E+01 4
+IC5KETCA H 10O 3C 5 G 300.00 5000.00 1386.00 1
++2.23936225E+01+2.30830714E-02-8.07739965E-06+1.27340111E-09-7.46743612E-14 2
+-5.25460012E+04-8.64630973E+01+5.01026913E-01+7.32093413E-02-5.22315114E-05 3
++1.91893861E-08-2.91025524E-12-4.47901692E+04+3.15622880E+01 4
+IC5KETCB H 10O 3C 5 G 300.00 5000.00 1387.00 1
++2.38381050E+01+2.19492828E-02-7.70845830E-06+1.21824528E-09-7.15652458E-14 2
+-5.56527505E+04-9.76513664E+01+2.97401995E-01+7.64035840E-02-5.58642785E-05 3
++2.06570759E-08-3.10185324E-12-4.74239290E+04+2.89698043E+01 4
+IC5KETCD H 10O 3C 5 G 300.00 5000.00 1383.00 1
++2.22445195E+01+2.32429375E-02-8.13939936E-06+1.28375132E-09-7.53028874E-14 2
+-5.25016214E+04-8.53496595E+01+2.27135608E+00+6.77725287E-02-4.64127889E-05 3
++1.65517953E-08-2.47901257E-12-4.52485605E+04+2.28504134E+01 4
+IC5KETDA H 10O 3C 5 G 300.00 5000.00 1385.00 1
++2.23748861E+01+2.30141606E-02-8.03341343E-06+1.26431338E-09-7.40516168E-14 2
+-4.87803738E+04-8.53457562E+01+2.45487380E+00+6.89562352E-02-4.94614671E-05 3
++1.87791829E-08-3.00201291E-12-4.16944571E+04+2.20317500E+01 4
+IC5KETDB H 10O 3C 5 G 300.00 5000.00 1386.00 1
++2.30963831E+01+2.24125490E-02-7.82820477E-06+1.23251010E-09-7.22086331E-14 2
+-5.19506233E+04-9.19136638E+01+2.39215811E+00+7.23979537E-02-5.56527262E-05 3
++2.27957429E-08-3.89778838E-12-4.48011749E+04+1.89118954E+01 4
+IC5KETDC H 10O 3C 5 G 300.00 5000.00 1390.00 1
++2.35511020E+01+2.20370496E-02-7.70229869E-06+1.21333612E-09-7.11148382E-14 2
+-5.11090402E+04-9.29911716E+01+4.19611403E-02+7.96221577E-02-6.28755971E-05 3
++2.57640021E-08-4.32179573E-12-4.31706563E+04+3.23917806E+01 4
+AC5H10OH O 1C 5H 11 G 300.00 5000.00 1381.00 1
++1.57053942E+01+2.55921700E-02-8.70811298E-06+1.34716260E-09-7.79628294E-14 2
+-2.25377771E+04-5.15555174E+01+3.09642922E+00+4.68661615E-02-1.83869508E-05 3
++8.20832987E-10+7.67460794E-13-1.72846429E+04+1.91578923E+01 4
+BC5H10OH O 1C 5H 11 G 300.00 5000.00 1387.00 1
++1.61657616E+01+2.54934476E-02-8.73565162E-06+1.35763483E-09-7.88148800E-14 2
+-2.48317907E+04-5.58394716E+01+2.52157061E+00+5.18237668E-02-2.65312746E-05 3
++6.10515255E-09-4.32512771E-13-1.94355870E+04+1.95767452E+01 4
+CC5H10OH O 1C 5H 11 G 300.00 5000.00 1374.00 1
++1.78146436E+01+2.31777549E-02-7.76038398E-06+1.18900766E-09-6.83934164E-14 2
+-2.24543185E+04-6.48614694E+01+2.04135308E-01+5.88299650E-02-3.24898705E-05 3
++7.50026128E-09-3.65893927E-13-1.58607468E+04+3.15479677E+01 4
+AO2C5H10OH O 3C 5H 11 G 300.00 5000.00 1398.00 1
++2.08105945E+01+2.58369830E-02-8.76925603E-06+1.35402215E-09-7.82456030E-14 2
+-4.24674273E+04-7.60944497E+01+2.38199108E+00+7.18375133E-02-5.42641346E-05 3
++2.24041452E-08-3.86885861E-12-3.62744244E+04+2.19774449E+01 4
+BO2C5H10OH O 3C 5H 11 G 300.00 5000.00 1400.00 1
++2.16076261E+01+2.51801329E-02-8.54720351E-06+1.31983972E-09-7.62748525E-14 2
+-4.48761977E+04-8.15577009E+01+1.52617651E+00+7.75488797E-02-6.26549788E-05 3
++2.73021817E-08-4.88654203E-12-3.83722486E+04+2.44808615E+01 4
+CO2C5H10OH O 3C 5H 11 G 300.00 5000.00 1397.00 1
++2.08408570E+01+2.59206320E-02-8.82353537E-06+1.36524107E-09-7.90130782E-14 2
+-4.19808071E+04-7.66306291E+01+1.89146646E+00+7.16579256E-02-5.21095309E-05 3
++2.04539389E-08-3.36389081E-12-3.54813599E+04+2.47261361E+01 4
+CH3CHCHO O 1H 5C 3 G 300.00 5000.00 1253.00 1
++8.27772090E+00+1.95687188E-02-8.47575089E-06+1.53249728E-09-9.86441542E-14 2
+-8.34456062E+03-2.17652483E+01-2.72811212E+00+3.80354483E-02-1.96782132E-05 3
++5.09554570E-09-7.28789092E-13-3.51122739E+03+4.04496677E+01 4
+IC3H5COCH3 O 1H 8C 5 G 300.00 5000.00 1389.00 1
++1.57135746E+01+1.94104717E-02-6.71160542E-06+1.04957119E-09-6.12003730E-14 2
+-2.65071075E+04-5.72269076E+01+8.09246454E-01+5.28377081E-02-3.55040712E-05 3
++1.24787059E-08-1.83544455E-12-2.11322752E+04+2.34120820E+01 4
+IC3H5COCH2 O 1C 5H 7 G 300.00 5000.00 1391.00 1
++1.70407321E+01+1.59214786E-02-5.55063598E-06+8.72891334E-10-5.10998924E-14 2
+-5.41848521E+03-6.39228376E+01+5.48800712E-01+5.64406935E-02-4.45492244E-05 3
++1.83208797E-08-3.08879949E-12+1.42569300E+02+2.39985123E+01 4
+AC3H4COCH3 O 1C 5H 7 G 300.00 5000.00 1389.00 1
++1.56880361E+01+1.74310098E-02-6.05676510E-06+9.50342951E-10-5.55458474E-14 2
+-8.66309058E+03-5.67277584E+01-3.84131406E-01+5.59167204E-02-4.21424901E-05 3
++1.67314239E-08-2.75664106E-12-3.12232942E+03+2.93464240E+01 4
+IC6H14 C 6H 14 G 300.00 5000.00 1392.00 1
++1.89218968E+01+3.07714665E-02-1.05523935E-05+1.64094307E-09-9.53043216E-14 2
+-3.13407083E+04-7.68880761E+01-1.49039355E+00+7.49783888E-02-4.66434710E-05 3
++1.49348963E-08-1.97251090E-12-2.38232544E+04+3.41061153E+01 4
+AC6H13 C 6H 13 G 300.00 5000.00 1392.00 1
++1.85074039E+01+2.86218271E-02-9.82105187E-06+1.52783880E-09-8.87609934E-14 2
+-6.27646161E+03-7.18043432E+01-7.21275521E-01+7.04218954E-02-4.41509022E-05 3
++1.42843117E-08-1.91164474E-12+7.89482151E+02+3.26985381E+01 4
+BC6H13 C 6H 13 G 300.00 5000.00 1381.00 1
++1.69842194E+01+2.99437985E-02-1.02829375E-05+1.60051599E-09-9.30152113E-14 2
+-8.09389237E+03-6.29779897E+01+2.41481893E+00+5.37101055E-02-2.00895084E-05 3
++2.38811969E-10+1.01694001E-12-1.90401203E+03+1.90832462E+01 4
+CC6H13 C 6H 13 G 300.00 5000.00 1385.00 1
++1.82241682E+01+2.84884867E-02-9.69800610E-06+1.50105127E-09-8.69082914E-14 2
+-7.58413810E+03-6.97809262E+01-3.90316852E-01+6.59532054E-02-3.61095592E-05 3
++8.79473910E-09-6.27301518E-13-5.05045378E+02+3.23470949E+01 4
+DC6H13 C 6H 13 G 300.00 5000.00 1385.00 1
++1.82241682E+01+2.84884867E-02-9.69800610E-06+1.50105127E-09-8.69082914E-14 2
+-7.58413810E+03-6.97809262E+01-3.90316852E-01+6.59532054E-02-3.61095592E-05 3
++8.79473910E-09-6.27301518E-13-5.05045378E+02+3.23470949E+01 4
+EC6H13 C 6H 13 G 300.00 5000.00 1392.00 1
++1.85074039E+01+2.86218271E-02-9.82105187E-06+1.52783880E-09-8.87609934E-14 2
+-6.27646161E+03-7.18043432E+01-7.21275521E-01+7.04218954E-02-4.41509022E-05 3
++1.42843117E-08-1.91164474E-12+7.89482151E+02+3.26985381E+01 4
+AC6H12 C 6H 12 G 300.00 5000.00 1391.00 1
++1.77919314E+01+2.68882975E-02-9.17597563E-06+1.42232776E-09-8.24250741E-14 2
+-1.59089099E+04-6.89733605E+01-5.11775170E-01+6.75515839E-02-4.35931315E-05 3
++1.47174635E-08-2.07208823E-12-9.28196280E+03+3.01733384E+01 4
+BC6H12 C 6H 12 G 300.00 5000.00 1389.00 1
++1.73194968E+01+2.73143455E-02-9.32825404E-06+1.44663699E-09-8.38619242E-14 2
+-1.72536853E+04-6.67708402E+01+6.61236759E-03+6.41016647E-02-3.85052017E-05 3
++1.17598218E-08-1.46218293E-12-1.08021940E+04+2.76294362E+01 4
+CC6H12 C 6H 12 G 300.00 5000.00 1393.00 1
++1.72953713E+01+2.74904466E-02-9.42213872E-06+1.46464229E-09-8.50427572E-14 2
+-1.65683634E+04-6.72858572E+01-1.31890347E+00+6.85974519E-02-4.39881674E-05 3
++1.47291905E-08-2.05794505E-12-9.79395525E+03+3.36472333E+01 4
+DC6H12 C 6H 12 G 300.00 5000.00 1393.00 1
++1.78016854E+01+2.70503442E-02-9.26880883E-06+1.44060726E-09-8.36409602E-14 2
+-1.53895390E+04-6.97378005E+01-1.91003140E+00+7.20913803E-02-4.89283154E-05 3
++1.75436586E-08-2.63338518E-12-8.38084939E+03+3.65870879E+01 4
+AC6H11-A2 C 6H 11 G 300.00 5000.00 1395.00 1
++1.82026718E+01+2.44812048E-02-8.35996384E-06+1.29643763E-09-7.51546950E-14 2
++2.33876532E+03-7.13491902E+01-1.47932805E+00+7.22802333E-02-5.37942381E-05 3
++2.13741487E-08-3.53072969E-12+9.04209177E+03+3.37929715E+01 4
+AC6H11-C C 6H 11 G 300.00 5000.00 1391.00 1
++1.73925747E+01+2.51953840E-02-8.61283764E-06+1.33664647E-09-7.75275756E-14 2
++1.18586639E+03-6.80542016E+01-8.34480314E-01+6.59130188E-02-4.31921071E-05 3
++1.46901865E-08-2.06602701E-12+7.74317615E+03+3.05654616E+01 4
+AC6H11-D C 6H 11 G 300.00 5000.00 1382.00 1
++1.71796835E+01+2.44946059E-02-8.27862597E-06+1.27550777E-09-7.36249381E-14 2
++7.79910800E+03-6.23751670E+01+6.93336063E-01+5.79431818E-02-3.20806649E-05 3
++7.93413671E-09-5.82122675E-13+1.40234096E+04+2.79516628E+01 4
+AC6H11-E C 6H 11 G 300.00 5000.00 1391.00 1
++1.73660563E+01+2.47543194E-02-8.45119156E-06+1.31035396E-09-7.59514758E-14 2
++9.16086456E+03-6.38235508E+01+2.49943006E-01+6.30361731E-02-4.11725030E-05 3
++1.41157447E-08-2.02238094E-12+1.53316983E+04+2.87984616E+01 4
+BC6H11-E C 6H 11 G 300.00 5000.00 1389.00 1
++1.68955004E+01+2.51788753E-02-8.60298588E-06+1.33459142E-09-7.73843192E-14 2
++7.81519433E+03-6.16322155E+01+7.63030919E-01+5.96101310E-02-3.61175604E-05 3
++1.11772823E-08-1.41652007E-12+1.38122414E+04+2.62789403E+01 4
+CC6H11-A C 6H 11 G 300.00 5000.00 1393.00 1
++1.68710453E+01+2.53547639E-02-8.69680328E-06+1.35259585E-09-7.85657713E-14 2
++8.49347715E+03-6.21614459E+01-6.89878647E-01+6.45561830E-02-4.21978643E-05 3
++1.44919783E-08-2.08520825E-12+1.48430791E+04+3.29119720E+01 4
+CC6H11-B C 6H 11 G 300.00 5000.00 1381.00 1
++1.53461030E+01+2.66654957E-02-9.15202584E-06+1.42394531E-09-8.27311194E-14 2
++6.58175430E+03-5.26161906E+01+2.54157024E+00+4.74614479E-02-1.75984466E-05 3
++1.18844602E-10+9.15595617E-13+1.20333815E+04+1.95409169E+01 4
+DC6H11-A C 6H 11 G 300.00 5000.00 1393.00 1
++1.73789104E+01+2.49141494E-02-8.54341211E-06+1.32855830E-09-7.71639569E-14 2
++9.67894432E+03-6.46052754E+01-1.12223791E+00+6.74746771E-02-4.63673789E-05 3
++1.68609510E-08-2.56700270E-12+1.62284521E+04+3.50882911E+01 4
+DC6H11-B C 6H 11 G 300.00 5000.00 1383.00 1
++1.58183507E+01+2.62602278E-02-9.01167647E-06+1.40200988E-09-8.14536996E-14 2
++7.78480177E+03-5.48493603E+01+2.17247229E+00+5.00897603E-02-2.13555213E-05 3
++2.23928273E-09+4.88373356E-13+1.34096122E+04+2.14270725E+01 4
+DC6H11-C C 6H 11 G 300.00 5000.00 1393.00 1
++1.74048492E+01+2.53567462E-02-8.70574279E-06+1.35496821E-09-7.87471431E-14 2
++1.70459201E+03-6.88324069E+01-2.22322509E+00+7.04264966E-02-4.84953119E-05 3
++1.74996623E-08-2.62417843E-12+8.64237252E+03+3.69315857E+01 4
+AC6H11O-C C 6O 1H 11 G 300.00 5000.00 1392.00 1
++2.17573736E+01+2.26921265E-02-7.57004024E-06+1.15702912E-09-6.64430705E-14 2
+-1.05744435E+04-8.69130537E+01-1.82035418E+00+8.07063934E-02-6.22831139E-05 3
++2.46330602E-08-3.92390793E-12-2.77247206E+03+3.85201862E+01 4
+CC6H11O-B C 6O 1H 11 G 300.00 5000.00 1393.00 1
++2.11955687E+01+2.29701980E-02-7.62227789E-06+1.16065576E-09-6.64715930E-14 2
+-1.29306307E+04-8.49746291E+01-1.17967324E+00+7.81909883E-02-5.99795020E-05 3
++2.37932961E-08-3.81853229E-12-5.53273660E+03+3.40198543E+01 4
+DC6H11O-C C 6O 1H 11 G 300.00 5000.00 1393.00 1
++2.13806432E+01+2.30378839E-02-7.69358197E-06+1.17665055E-09-6.75959737E-14 2
+-9.83646408E+03-8.52880631E+01-2.76652098E+00+8.36848075E-02-6.65178286E-05 3
++2.72840686E-08-4.51819629E-12-1.94611129E+03+4.27763392E+01 4
+AC6H13O2 C 6H 13O 2 G 300.00 5000.00 1388.00 1
++2.22886148E+01+3.03910052E-02-1.05002476E-05+1.64107136E-09-9.56472508E-14 2
+-2.54266277E+04-8.69083127E+01+8.34467457E-01+7.86137067E-02-5.27315598E-05 3
++1.89843054E-08-2.92332318E-12-1.76362853E+04+2.92377865E+01 4
+BC6H13O2 C 6H 13O 2 G 300.00 5000.00 1389.00 1
++2.30458742E+01+2.97706645E-02-1.02910769E-05+1.60890361E-09-9.37931246E-14 2
+-2.86118730E+04-9.36845710E+01+3.72940700E-01+8.39343109E-02-6.17679663E-05 3
++2.47759515E-08-4.21198306E-12-2.06857939E+04+2.79465910E+01 4
+CC6H13O2 C 6H 13O 2 G 300.00 5000.00 1391.00 1
++2.30489841E+01+2.97247024E-02-1.02659461E-05+1.60404020E-09-9.34727049E-14 2
+-2.79933031E+04-9.21493647E+01-2.03646110E-01+8.52144048E-02-6.26174151E-05 3
++2.48590257E-08-4.16108078E-12-1.98941133E+04+3.25528387E+01 4
+DC6H13O2 C 6H 13O 2 G 300.00 5000.00 1391.00 1
++2.30489841E+01+2.97247024E-02-1.02659461E-05+1.60404020E-09-9.34727049E-14 2
+-2.79933031E+04-9.21493647E+01-2.03646110E-01+8.52144048E-02-6.26174151E-05 3
++2.48590257E-08-4.16108078E-12-1.98941133E+04+3.25528387E+01 4
+EC6H13O2 C 6H 13O 2 G 300.00 5000.00 1388.00 1
++2.22886148E+01+3.03910052E-02-1.05002476E-05+1.64107136E-09-9.56472508E-14 2
+-2.54266277E+04-8.75977943E+01+8.34467457E-01+7.86137067E-02-5.27315598E-05 3
++1.89843054E-08-2.92332318E-12-1.76362853E+04+2.92377865E+01 4
+AC6H13O2H C 6H 14O 2 G 300.00 5000.00 1389.00 1
++2.47461206E+01+3.05690659E-02-1.05953546E-05+1.65960757E-09-9.68816760E-14 2
+-4.33414991E+04-1.01183435E+02-1.20894077E-01+8.74189534E-02-6.08632828E-05 3
++2.22596283E-08-3.40642319E-12-3.44864717E+04+3.29679757E+01 4
+BC6H13O2H C 6H 14O 2 G 300.00 5000.00 1390.00 1
++2.54796383E+01+2.99619917E-02-1.03892563E-05+1.62776466E-09-9.50402644E-14 2
+-4.65182816E+04-1.07822133E+02-3.84745299E-01+9.17687045E-02-6.84094717E-05 3
++2.71147158E-08-4.48681570E-12-3.75631793E+04+3.07815919E+01 4
+CC6H13O2H C 6H 14O 2 G 300.00 5000.00 1391.00 1
++2.55587244E+01+2.98820202E-02-1.03593281E-05+1.62288897E-09-9.47493818E-14 2
+-4.59453915E+04-1.06761756E+02-1.14502692E+00+9.38036145E-02-7.02030825E-05 3
++2.77175376E-08-4.54282388E-12-3.67429144E+04+3.62469945E+01 4
+DC6H13O2H C 6H 14O 2 G 300.00 5000.00 1391.00 1
++2.55587244E+01+2.98820202E-02-1.03593281E-05+1.62288897E-09-9.47493818E-14 2
+-4.59453915E+04-1.06761756E+02-1.14502692E+00+9.38036145E-02-7.02030825E-05 3
++2.77175376E-08-4.54282388E-12-3.67429144E+04+3.62469945E+01 4
+EC6H13O2H C 6H 14O 2 G 300.00 5000.00 1389.00 1
++2.47461206E+01+3.05690659E-02-1.05953546E-05+1.65960757E-09-9.68816760E-14 2
+-4.33414991E+04-1.01872917E+02-1.20894077E-01+8.74189534E-02-6.08632828E-05 3
++2.22596283E-08-3.40642319E-12-3.44864717E+04+3.22784940E+01 4
+AC6H13O C 6O 1H 13 G 300.00 5000.00 1393.00 1
++2.07407512E+01+2.90441793E-02-9.91898396E-06+1.53837787E-09-8.91896638E-14 2
+-2.36717876E+04-8.14921659E+01-1.10169867E+00+7.88004918E-02-5.32440995E-05 3
++1.87702513E-08-2.73867617E-12-1.59250624E+04+3.63224467E+01 4
+BC6H13O C 6O 1H 13 G 300.00 5000.00 1394.00 1
++2.13738380E+01+2.86079827E-02-9.78961483E-06+1.52027435E-09-8.82167790E-14 2
+-2.72183307E+04-8.71171285E+01-1.14499967E+00+8.22520492E-02-5.96240912E-05 3
++2.30259070E-08-3.71004273E-12-1.94393923E+04+3.35584767E+01 4
+CC6H13O C 6O 1H 13 G 300.00 5000.00 1395.00 1
++2.11457388E+01+2.89417927E-02-9.93473533E-06+1.54596808E-09-8.98334011E-14 2
+-2.59818828E+04-8.47582294E+01-1.36089174E+00+8.20470838E-02-5.87205947E-05 3
++2.23560537E-08-3.55684509E-12-1.81496958E+04+3.60430927E+01 4
+DC6H13O C 6O 1H 13 G 300.00 5000.00 1395.00 1
++2.11457388E+01+2.89417927E-02-9.93473533E-06+1.54596808E-09-8.98334011E-14 2
+-2.59818828E+04-8.47582294E+01-1.36089174E+00+8.20470838E-02-5.87205947E-05 3
++2.23560537E-08-3.55684509E-12-1.81496958E+04+3.60430927E+01 4
+EC6H13O C 6O 1H 13 G 300.00 5000.00 1393.00 1
++2.07407512E+01+2.90441793E-02-9.91898396E-06+1.53837787E-09-8.91896638E-14 2
+-2.36717876E+04-8.21816475E+01-1.10169867E+00+7.88004918E-02-5.32440995E-05 3
++1.87702513E-08-2.73867617E-12-1.59250624E+04+3.56329651E+01 4
+AC6H12OOH-A C 6H 13O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.35509613E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.13292298E+01 4
+AC6H12OOH-B C 6H 13O 2 G 300.00 5000.00 1383.00 1
++2.22730342E+01+3.03870349E-02-1.04955591E-05+1.64003275E-09-9.55755922E-14 2
+-1.98338759E+04-8.34529412E+01+3.80080251E+00+6.62643795E-02-3.49049743E-05 3
++8.19777702E-09-5.89157399E-13-1.25731075E+04+1.85330105E+01 4
+AC6H12OOH-C C 6H 13O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.34337612E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.28879726E+01 4
+AC6H12OOH-D C 6H 13O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.34337612E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.28879726E+01 4
+AC6H12OOH-E C 6H 13O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.35509613E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.13292298E+01 4
+BC6H12OOH-A C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.50724822E+01+2.77997156E-02-9.65221757E-06+1.51363792E-09-8.84322022E-14 2
+-2.14566893E+04-1.02780100E+02+3.29972045E-01+8.74415478E-02-6.62416953E-05 3
++2.66536336E-08-4.46547796E-12-1.29419028E+04+2.96284309E+01 4
+BC6H12OOH-C C 6H 13O 2 G 300.00 5000.00 1388.00 1
++2.46364512E+01+2.78516374E-02-9.60212776E-06+1.49893237E-09-8.73034439E-14 2
+-2.26854295E+04-9.94482796E+01+7.28467840E-01+8.27351038E-02-5.79477332E-05 3
++2.10402680E-08-3.15464371E-12-1.42479989E+04+2.93605378E+01 4
+BC6H12OOH-D C 6H 13O 2 G 300.00 5000.00 1388.00 1
++2.46364512E+01+2.78516374E-02-9.60212776E-06+1.49893237E-09-8.73034439E-14 2
+-2.26854295E+04-9.94482796E+01+7.28467840E-01+8.27351038E-02-5.79477332E-05 3
++2.10402680E-08-3.15464371E-12-1.42479989E+04+2.93605378E+01 4
+BC6H12OOH-E C 6H 13O 2 G 300.00 5000.00 1390.00 1
++2.50724822E+01+2.77997156E-02-9.65221757E-06+1.51363792E-09-8.84322022E-14 2
+-2.14566893E+04-1.02780100E+02+3.29972045E-01+8.74415478E-02-6.62416953E-05 3
++2.66536336E-08-4.46547796E-12-1.29419028E+04+2.96284309E+01 4
+CC6H12OOH-A C 6H 13O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.87876973E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.48606816E+01 4
+CC6H12OOH-B C 6H 13O 2 G 300.00 5000.00 1387.00 1
++2.32505924E+01+2.95413171E-02-1.02009262E-05+1.59378181E-09-9.28733184E-14 2
+-2.24879988E+04-9.06410149E+01+3.03536899E+00+7.17597670E-02-4.27623252E-05 3
++1.26172983E-08-1.47486871E-12-1.48783197E+04+1.98514760E+01 4
+CC6H12OOH-D C 6H 13O 2 G 300.00 5000.00 1391.00 1
++2.42094345E+01+2.81648927E-02-9.60770930E-06+1.48931625E-09-8.63248580E-14 2
+-2.18243231E+04-9.57217843E+01+1.41333660E-01+8.42381612E-02-5.95986819E-05 3
++2.18273225E-08-3.27602121E-12-1.34573123E+04+3.35824990E+01 4
+CC6H12OOH-E C 6H 13O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.91953470E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.44530319E+01 4
+DC6H12OOH-A C 6H 13O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.87876973E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.48606816E+01 4
+DC6H12OOH-B C 6H 13O 2 G 300.00 5000.00 1387.00 1
++2.32505924E+01+2.95413171E-02-1.02009262E-05+1.59378181E-09-9.28733184E-14 2
+-2.24879988E+04-9.06410149E+01+3.03536899E+00+7.17597670E-02-4.27623252E-05 3
++1.26172983E-08-1.47486871E-12-1.48783197E+04+1.98514760E+01 4
+DC6H12OOH-C C 6H 13O 2 G 300.00 5000.00 1391.00 1
++2.42094345E+01+2.81648927E-02-9.60770930E-06+1.48931625E-09-8.63248580E-14 2
+-2.18243231E+04-9.57217843E+01+1.41333660E-01+8.42381612E-02-5.95986819E-05 3
++2.18273225E-08-3.27602121E-12-1.34573123E+04+3.35824990E+01 4
+DC6H12OOH-E C 6H 13O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.91953470E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.44530319E+01 4
+EC6H12OOH-A C 6H 13O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.38327932E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.10473979E+01 4
+EC6H12OOH-B C 6H 13O 2 G 300.00 5000.00 1383.00 1
++2.22730342E+01+3.03870349E-02-1.04955591E-05+1.64003275E-09-9.55755922E-14 2
+-1.98338759E+04-8.59340686E+01+3.80080251E+00+6.62643795E-02-3.49049743E-05 3
++8.19777702E-09-5.89157399E-13-1.25731075E+04+1.60518831E+01 4
+EC6H12OOH-C C 6H 13O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.52203742E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.11013596E+01 4
+EC6H12OOH-D C 6H 13O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.52203742E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.11013596E+01 4
+A-AC6H12O C 6H 12O 1 G 300.00 5000.00 1377.00 1
++1.99156255E+01+2.80570645E-02-9.60026024E-06+1.49237353E-09-8.67075947E-14 2
+-2.84357664E+04-8.31912688E+01-3.74279744E+00+7.97317022E-02-5.20568139E-05 3
++1.72011490E-08-2.31454215E-12-1.98116601E+04+4.52301269E+01 4
+A-BC6H12O C 6H 12O 1 G 300.00 5000.00 1389.00 1
++2.01913400E+01+2.79678511E-02-9.67421525E-06+1.51319597E-09-8.82456559E-14 2
+-3.10796342E+04-8.36582432E+01-3.10440628E+00+8.56519536E-02-6.67488731E-05 3
++2.81794043E-08-4.97055901E-12-2.31502350E+04+4.05751920E+01 4
+A-CC6H12O C 6H 12O 1 G 300.00 5000.00 1380.00 1
++2.05031109E+01+2.75383043E-02-9.41667271E-06+1.46321280E-09-8.49886231E-14 2
+-3.07733281E+04-8.60159913E+01-4.39045510E+00+8.46657004E-02-5.98461680E-05 3
++2.19749206E-08-3.34162903E-12-2.19772879E+04+4.81276344E+01 4
+A-DC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++1.83058303E+01+3.04972378E-02-1.05653766E-05+1.65434326E-09-9.65500891E-14 2
+-4.03848361E+04-7.42771902E+01-5.61084240E+00+8.62262193E-02-6.17311453E-05 3
++2.38078703E-08-3.89555631E-12-3.19060340E+04+5.44880467E+01 4
+A-EC6H12O C 6H 12O 1 G 300.00 5000.00 1367.00 1
++2.15175540E+01+2.91706121E-02-1.03353528E-05+1.64305835E-09-9.69180513E-14 2
+-4.32129219E+04-9.97465294E+01-5.11288591E+00+8.04260623E-02-4.35839293E-05 3
++9.20918058E-09-2.77875684E-13-3.28206788E+04+4.72500548E+01 4
+B-CC6H12O C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.07412761E+01+2.75290409E-02-9.52862858E-06+1.49103485E-09-8.69768921E-14 2
+-3.34094702E+04-8.76595310E+01-3.51600990E+00+8.95013099E-02-7.28932029E-05 3
++3.19466518E-08-5.77980629E-12-2.53506807E+04+4.10125601E+01 4
+B-DC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++2.03130107E+01+2.84953369E-02-9.90356879E-06+1.55407483E-09-9.08358605E-14 2
+-3.40296335E+04-8.70860300E+01-4.25089771E+00+8.77021914E-02-6.65264184E-05 3
++2.71034081E-08-4.63016987E-12-2.55266109E+04+4.44518241E+01 4
+B-EC6H12O C 6H 12O 1 G 300.00 5000.00 1382.00 1
++1.91074475E+01+2.92530040E-02-1.00249828E-05+1.55944067E-09-9.06288079E-14 2
+-4.18461500E+04-8.05464349E+01-5.34010311E+00+8.58554974E-02-6.11209923E-05 3
++2.31121032E-08-3.67533288E-12-3.31973464E+04+5.11171430E+01 4
+C-DC6H12O C 6H 12O 1 G 300.00 5000.00 1393.00 1
++2.06312589E+01+2.75569457E-02-9.52376040E-06+1.48876677E-09-8.67838672E-14 2
+-3.21756961E+04-8.58717818E+01-3.97238580E+00+9.03638157E-02-7.34283609E-05 3
++3.19635755E-08-5.73228171E-12-2.40253266E+04+4.46071744E+01 4
+C-EC6H12O C 6H 12O 1 G 300.00 5000.00 1380.00 1
++2.05031109E+01+2.75383043E-02-9.41667271E-06+1.46321280E-09-8.49886231E-14 2
+-3.07733281E+04-8.67054730E+01-4.39045510E+00+8.46657004E-02-5.98461680E-05 3
++2.19749206E-08-3.34162903E-12-2.19772879E+04+4.74381528E+01 4
+D-EC6H12O C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.00142775E+01+2.81386921E-02-9.73735947E-06+1.52346612E-09-8.88596091E-14 2
+-2.98338928E+04-8.22104850E+01-3.32594188E+00+8.54921440E-02-6.58481787E-05 3
++2.73996370E-08-4.76702147E-12-2.18606446E+04+4.23900139E+01 4
+AC6H12OOH-AO2 C 6O 4H 13 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.13044805E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.81070553E+01 4
+AC6H12OOH-BO2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+AC6H12OOH-CO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+AC6H12OOH-DO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+AC6H12OOH-EO2 C 6O 4H 13 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.12355324E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.87965370E+01 4
+BC6H12OOH-AO2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+BC6H12OOH-CO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+BC6H12OOH-DO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+BC6H12OOH-EO2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+CC6H12OOH-AO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+CC6H12OOH-BO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+CC6H12OOH-DO2 C 6O 4H 13 G 300.00 5000.00 1391.00 1
++2.95169325E+01+2.88320897E-02-1.00396340E-05+1.57746976E-09-9.22879651E-14 2
+-4.24876393E+04-1.20938130E+02+6.88588952E-01+1.01595955E-01-8.28629861E-05 3
++3.56740290E-08-6.30243653E-12-3.28938019E+04+3.21757015E+01 4
+CC6H12OOH-EO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+DC6H12OOH-AO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+DC6H12OOH-BO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+DC6H12OOH-CO2 C 6O 4H 13 G 300.00 5000.00 1391.00 1
++2.95169325E+01+2.88320897E-02-1.00396340E-05+1.57746976E-09-9.22879651E-14 2
+-4.24876393E+04-1.20938130E+02+6.88588952E-01+1.01595955E-01-8.28629861E-05 3
++3.56740290E-08-6.30243653E-12-3.28938019E+04+3.21757015E+01 4
+DC6H12OOH-EO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+EC6H12OOH-AO2 C 6O 4H 13 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.12355324E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.87965370E+01 4
+EC6H12OOH-BO2 C 6O 4H 13 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+EC6H12OOH-CO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+EC6H12OOH-DO2 C 6O 4H 13 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+IC6KETAA C 6O 3H 12 G 300.00 5000.00 1389.00 1
++2.58488852E+01+2.72976729E-02-9.51569614E-06+1.49629215E-09-8.75872376E-14 2
+-5.29010482E+04-1.02930598E+02+3.74926599E-01+8.69654251E-02-6.37599754E-05 3
++2.43624904E-08-3.85595659E-12-4.40036669E+04+3.39373300E+01 4
+IC6KETAB C 6O 3H 12 G 300.00 5000.00 1389.00 1
++2.72366376E+01+2.61665828E-02-9.13760798E-06+1.43865838E-09-8.42913377E-14 2
+-5.59713777E+04-1.13067358E+02+8.36104238E-01+8.71222904E-02-6.28537855E-05 3
++2.29996863E-08-3.41861134E-12-4.67354404E+04+2.89691344E+01 4
+IC6KETAC C 6O 3H 12 G 300.00 5000.00 1391.00 1
++2.66965176E+01+2.65460731E-02-9.24984760E-06+1.45414398E-09-8.51078553E-14 2
+-5.55104211E+04-1.07999392E+02+5.92746792E-03+9.03522036E-02-6.84252707E-05 3
++2.68135408E-08-4.31053677E-12-4.63578700E+04+3.48793797E+01 4
+IC6KETAD C 6O 3H 12 G 300.00 5000.00 1391.00 1
++2.66965176E+01+2.65460731E-02-9.24984760E-06+1.45414398E-09-8.51078553E-14 2
+-5.55104211E+04-1.07999392E+02+5.92746792E-03+9.03522036E-02-6.84252707E-05 3
++2.68135408E-08-4.31053677E-12-4.63578700E+04+3.48793797E+01 4
+IC6KETAE C 6O 3H 12 G 300.00 5000.00 1389.00 1
++2.58488852E+01+2.72976729E-02-9.51569614E-06+1.49629215E-09-8.75872376E-14 2
+-5.29010482E+04-1.02930598E+02+3.74926599E-01+8.69654251E-02-6.37599754E-05 3
++2.43624904E-08-3.85595659E-12-4.40036669E+04+3.39373300E+01 4
+IC6KETCA C 6O 3H 12 G 300.00 5000.00 1386.00 1
++2.54158893E+01+2.77142961E-02-9.66983106E-06+1.52140430E-09-8.90909745E-14 2
+-5.66695529E+04-1.00871975E+02+6.41569938E-01+8.61306622E-02-6.38040371E-05 3
++2.50715980E-08-4.12731276E-12-4.79925946E+04+3.22052414E+01 4
+IC6KETCB C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.68298718E+01+2.65743988E-02-9.29166512E-06+1.46406502E-09-8.58245747E-14 2
+-5.97543488E+04-1.11856808E+02+8.68698184E-01+8.73553612E-02-6.44754197E-05 3
++2.46810718E-08-3.90390558E-12-5.06899308E+04+2.76296921E+01 4
+IC6KETCD C 6O 3H 12 G 300.00 5000.00 1391.00 1
++2.66792669E+01+2.66782564E-02-9.32197006E-06+1.46820523E-09-8.60413011E-14 2
+-5.90485216E+04-1.09051959E+02-2.05481820E+00+9.79306262E-02-7.86642775E-05 3
++3.28512253E-08-5.60814214E-12-4.94233986E+04+4.39048904E+01 4
+IC6KETCE C 6O 3H 12 G 300.00 5000.00 1386.00 1
++2.54158893E+01+2.77142961E-02-9.66983106E-06+1.52140430E-09-8.90909745E-14 2
+-5.66695529E+04-1.01561456E+02+6.41569938E-01+8.61306622E-02-6.38040371E-05 3
++2.50715980E-08-4.12731276E-12-4.79925946E+04+3.15157597E+01 4
+IC6KETDA C 6O 3H 12 G 300.00 5000.00 1384.00 1
++2.52497489E+01+2.78620064E-02-9.72231486E-06+1.52976157E-09-8.95844320E-14 2
+-5.66360467E+04-1.00065747E+02+1.83514649E+00+8.09402473E-02-5.64766392E-05 3
++2.07650813E-08-3.21928803E-12-4.82146787E+04+2.64766089E+01 4
+IC6KETDB C 6O 3H 12 G 300.00 5000.00 1386.00 1
++2.59777118E+01+2.72538189E-02-9.51458711E-06+1.49753812E-09-8.77158651E-14 2
+-5.98077739E+04-1.06664115E+02+1.72626321E+00+8.46094492E-02-6.30145215E-05 3
++2.49960736E-08-4.16196817E-12-5.13150818E+04+2.35706116E+01 4
+IC6KETDC C 6O 3H 12 G 300.00 5000.00 1389.00 1
++2.64303679E+01+2.68827253E-02-9.39079843E-06+1.47875769E-09-8.66475606E-14 2
+-5.89666170E+04-1.07732369E+02-6.11745199E-01+9.17681500E-02-7.01346114E-05 3
++2.79014354E-08-4.57253918E-12-4.96860759E+04+3.69965420E+01 4
+IC6KETDE C 6O 3H 12 G 300.00 5000.00 1382.00 1
++2.50888983E+01+2.80399855E-02-9.79237470E-06+1.54155954E-09-9.03049561E-14 2
+-5.65924448E+04-9.88965665E+01+3.60912667E+00+7.54178344E-02-5.04991822E-05 3
++1.80269691E-08-2.76659120E-12-4.86715677E+04+1.77632445E+01 4
+IC6KETEA C 6O 3H 12 G 300.00 5000.00 1386.00 1
++2.55358096E+01+2.75241221E-02-9.58418843E-06+1.50590925E-09-8.81014540E-14 2
+-5.28763681E+04-1.00895794E+02+2.25107769E+00+8.10680080E-02-5.75889388E-05 3
++2.16285728E-08-3.41756700E-12-4.45867819E+04+2.46594756E+01 4
+IC6KETEB C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.62491576E+01+2.69378350E-02-9.38607764E-06+1.47539873E-09-8.63410992E-14 2
+-5.60444852E+04-1.07419672E+02+2.21224686E+00+8.44098088E-02-6.36457574E-05 3
++2.55733536E-08-4.29978327E-12-4.76972323E+04+2.14279571E+01 4
+IC6KETEC C 6O 3H 12 G 300.00 5000.00 1388.00 1
++2.61179757E+01+2.70167901E-02-9.40601228E-06+1.47774111E-09-8.64460947E-14 2
+-5.53643135E+04-1.05093935E+02+1.70707679E+00+8.54544631E-02-6.44512331E-05 3
++2.57780324E-08-4.29869192E-12-4.69169854E+04+2.56945670E+01 4
+IC6KETED C 6O 3H 12 G 300.00 5000.00 1370.00 1
++2.79333426E+01+2.62176323E-02-9.30277179E-06+1.48022634E-09-8.73635870E-14 2
+-5.55650583E+04-1.05709367E+02+3.94509667E+00+7.37223322E-02-4.23503736E-05 3
++1.06297496E-08-8.23353428E-13-4.63037398E+04+2.62853661E+01 4
+AC6H12OH C 6O 1H 13 G 300.00 5000.00 1383.00 1
++1.88589384E+01+3.01082092E-02-1.02608505E-05+1.58904396E-09-9.20282400E-14 2
+-2.66653056E+04-6.77508959E+01+2.90619357E+00+5.89197529E-02-2.64402860E-05 3
++3.63000767E-09+3.59958386E-13-2.02142331E+04+2.10332654E+01 4
+BC6H12OH C 6O 1H 13 G 300.00 5000.00 1389.00 1
++1.93625920E+01+2.99247433E-02-1.02489923E-05+1.59234329E-09-9.24223276E-14 2
+-2.89758960E+04-7.15907320E+01+2.27503088E+00+6.39194996E-02-3.43984268E-05 3
++8.66314272E-09-7.60664050E-13-2.23514492E+04+2.24436204E+01 4
+CC6H12OH C 6O 1H 13 G 300.00 5000.00 1393.00 1
++2.04108976E+01+2.86937403E-02-9.75365407E-06+1.50802716E-09-8.72411786E-14 2
+-2.83976970E+04-7.73133764E+01-3.71027465E-01+7.53088781E-02-4.93062368E-05 3
++1.66519291E-08-2.30160402E-12-2.09707208E+04+3.50110181E+01 4
+DC6H12OH C 6O 1H 13 G 300.00 5000.00 1378.00 1
++2.10478314E+01+2.73105222E-02-9.11622264E-06+1.39380538E-09-8.00544087E-14 2
+-2.65542518E+04-8.06613243E+01-9.37258243E-02+7.14648932E-02-4.16282189E-05 3
++1.09210643E-08-8.83235060E-13-1.87756580E+04+3.45957422E+01 4
+AO2C6H12OH C 6O 3H 13 G 300.00 5000.00 1397.00 1
++2.39788719E+01+3.03327501E-02-1.03135333E-05+1.59444929E-09-9.22215219E-14 2
+-4.66011925E+04-9.16845072E+01+2.19803044E+00+8.38531467E-02-6.22378700E-05 3
++2.51513379E-08-4.26067518E-12-3.92047865E+04+2.45148429E+01 4
+BO2C6H12OH C 6O 3H 13 G 300.00 5000.00 1399.00 1
++2.48156212E+01+2.96595983E-02-1.00897658E-05+1.56041039E-09-9.02759019E-14 2
+-4.90334490E+04-9.73944599E+01+1.35986533E+00+8.94425806E-02-7.03258016E-05 3
++2.98163915E-08-5.22129184E-12-4.13046962E+04+2.69425363E+01 4
+CO2C6H12OH C 6O 3H 13 G 300.00 5000.00 1398.00 1
++2.48617108E+01+2.97714966E-02-1.01628873E-05+1.57550811E-09-9.13068629E-14 2
+-4.85661398E+04-9.73633260E+01+9.24402007E-01+8.89602470E-02-6.76215954E-05 3
++2.75082292E-08-4.63770474E-12-4.05187776E+04+3.01358348E+01 4
+DO2C6H12OH C 6O 3H 13 G 300.00 5000.00 1396.00 1
++2.40099482E+01+3.04148777E-02-1.03671145E-05+1.60554200E-09-9.29809750E-14 2
+-4.61148094E+04-9.22250965E+01+1.70637540E+00+8.36781427E-02-6.00890572E-05 3
++2.32038462E-08-3.75613606E-12-3.84115428E+04+2.72688424E+01 4
+NC4H9CHO-2 H 10O 1C 5 G 300.00 5000.00 1391.00 1
++1.69244029E+01+2.27967487E-02-7.82457147E-06+1.21768953E-09-7.07667159E-14 2
+-3.67938100E+04-6.26596828E+01-4.69476821E-01+6.10365582E-02-3.93185264E-05 3
++1.27871427E-08-1.67312587E-12-3.04986281E+04+3.16306095E+01 4
+NC4H9CO-2 O 1C 5H 9 G 300.00 5000.00 1391.00 1
++1.65046133E+01+2.06717230E-02-7.10606869E-06+1.10703434E-09-6.43837568E-14 2
+-1.78307059E+04-5.87348799E+01+3.09679439E-01+5.62169200E-02-3.62405588E-05 3
++1.17086749E-08-1.50946127E-12-1.19711457E+04+2.90643292E+01 4
+C4H8CHO1-2 O 1C 5H 9 G 300.00 5000.00 1391.00 1
++1.64744483E+01+2.07138328E-02-7.12390788E-06+1.11013747E-09-6.45764979E-14 2
+-1.17192213E+04-5.73839435E+01+3.46935480E-01+5.62869708E-02-3.65790464E-05 3
++1.20191548E-08-1.59330793E-12-5.89336830E+03+3.00011649E+01 4
+C4H8CHO2-2 O 1C 5H 9 G 300.00 5000.00 1386.00 1
++1.66751077E+01+2.06549942E-02-7.12754811E-06+1.11313803E-09-6.48477026E-14 2
+-1.73708434E+04-6.08628338E+01+1.91588404E+00+5.23527744E-02-3.27262947E-05 3
++1.04277236E-08-1.36532577E-12-1.19042543E+04+1.94954948E+01 4
+C4H8CHO3-2 O 1C 5H 9 G 300.00 5000.00 2025.00 1
++1.46259201E+01+2.24057328E-02-7.81917608E-06+1.23707904E-09-7.28997923E-14 2
+-1.20218226E+04-4.59134789E+01+2.34261141E-01+5.39556025E-02-3.19259649E-05 3
++8.72507892E-09-8.35474916E-13-7.12477902E+03+3.16723623E+01 4
+C4H8CHO4-2 O 1C 5H 9 G 300.00 5000.00 1391.00 1
++1.64744483E+01+2.07138328E-02-7.12390788E-06+1.11013747E-09-6.45764979E-14 2
+-1.17192213E+04-5.73839435E+01+3.46935480E-01+5.62869708E-02-3.65790464E-05 3
++1.20191548E-08-1.59330793E-12-5.89336830E+03+3.00011649E+01 4
+IC4H9CHO H 10O 1C 5 G 300.00 5000.00 1383.00 1
++1.70194059E+01+2.23541546E-02-7.59760895E-06+1.17496754E-09-6.79975164E-14 2
+-3.69143302E+04-6.35871575E+01+8.61033163E-01+5.73441683E-02-3.59178644E-05 3
++1.13951893E-08-1.46205706E-12-3.09951354E+04+2.42264151E+01 4
+IC4H9CO O 1C 5H 9 G 300.00 5000.00 1381.00 1
++1.66912451E+01+2.00750158E-02-6.81146431E-06+1.05242707E-09-6.08743184E-14 2
+-1.79850312E+04-6.01715526E+01+1.62335066E+00+5.25605407E-02-3.28103015E-05 3
++1.02340893E-08-1.26866743E-12-1.24643454E+04+2.17446946E+01 4
+IC3H6CH2CHO O 1C 5H 9 G 300.00 5000.00 1379.00 1
++1.68308524E+01+1.98251371E-02-6.70063133E-06+1.03289145E-09-5.96563130E-14 2
+-1.19347938E+04-5.97602900E+01+1.62226272E+00+5.27363584E-02-3.31656280E-05 3
++1.04384787E-08-1.30786935E-12-6.37949935E+03+2.28700619E+01 4
+TC3H6CH2CHO O 1C 5H 9 G 300.00 5000.00 2007.00 1
++1.28694305E+01+2.43877237E-02-8.60077074E-06+1.36840737E-09-8.08920178E-14 2
+-1.24988438E+04-3.65810598E+01+4.51456221E+00+3.77870194E-02-1.29518975E-05 3
+-4.00055644E-10+7.37921847E-13-9.15122261E+03+1.02678013E+01 4
+IC3H7CHCHO O 1C 5H 9 G 300.00 5000.00 1390.00 1
++1.68247016E+01+2.04825673E-02-7.05877343E-06+1.10149429E-09-6.41348599E-14 2
+-1.66830714E+04-6.30167084E+01+3.71329670E-01+5.76362731E-02-3.90796092E-05 3
++1.37027563E-08-1.98345884E-12-1.08082975E+04+2.58578771E+01 4
+IC5H11CHO C 6H 12O 1 G 300.00 5000.00 1384.00 1
++2.02213198E+01+2.67705370E-02-9.10366728E-06+1.40833319E-09-8.15189632E-14 2
+-4.10189998E+04-7.93504931E+01+5.96448184E-01+6.97017613E-02-4.43706862E-05 3
++1.43995034E-08-1.90197727E-12-3.38776822E+04+2.71403402E+01 4
+IC5H11CO C 6O 1H 11 G 300.00 5000.00 1383.00 1
++1.98188304E+01+2.46169767E-02-8.37269097E-06+1.29548967E-09-7.49998110E-14 2
+-2.20623274E+04-7.55220873E+01+1.36681067E+00+6.49150520E-02-4.13267863E-05 3
++1.33304172E-08-1.73828245E-12-1.53487591E+04+2.46157767E+01 4
+AC5H10CHO C 6O 1H 11 G 300.00 5000.00 1383.00 1
++1.98177288E+01+2.46043987E-02-8.36554702E-06+1.29409596E-09-7.49077891E-14 2
+-1.59597587E+04-7.43290192E+01+1.37522507E+00+6.50985286E-02-4.18036011E-05 3
++1.36996241E-08-1.82985029E-12-9.26631430E+03+2.56887672E+01 4
+BC5H10CHO C 6O 1H 11 G 300.00 5000.00 1367.00 1
++1.82908067E+01+2.59026407E-02-8.81352457E-06+1.36402372E-09-7.89790437E-14 2
+-1.78663480E+04-6.54504237E+01+4.69657063E+00+4.76049368E-02-1.66055685E-05 3
+-1.05558524E-09+1.25802118E-12-1.20896615E+04+1.12115516E+01 4
+CC5H10CHO C 6O 1H 11 G 300.00 5000.00 1370.00 1
++1.97791361E+01+2.41036798E-02-8.09050791E-06+1.24169106E-09-7.15088157E-14 2
+-1.73655341E+04-7.36829477E+01+2.07020470E+00+5.88423981E-02-3.07237418E-05 3
++6.09963192E-09-4.14588610E-14-1.06128410E+04+2.36788016E+01 4
+DC5H10CHO C 6O 1H 11 G 300.00 5000.00 1390.00 1
++1.99907235E+01+2.49761165E-02-8.60141036E-06+1.34157728E-09-7.80872686E-14 2
+-2.07800110E+04-7.85917123E+01+1.86373573E-01+6.96553238E-02-4.70667833E-05 3
++1.64607489E-08-2.37789418E-12-1.37031871E+04+2.84004351E+01 4
+C4H7CHO2-1 O 1H 8C 5 G 300.00 5000.00 1387.00 1
++1.50265898E+01+1.98533832E-02-6.83413130E-06+1.06561288E-09-6.20117822E-14 2
+-2.05562762E+04-5.08643339E+01+4.19720449E-01+5.14338117E-02-3.24110908E-05 3
++1.03305738E-08-1.33536312E-12-1.51894369E+04+2.85525761E+01 4
+C4H7CO2-1 O 1C 5H 7 G 300.00 5000.00 1387.00 1
++1.46069636E+01+1.77278548E-02-6.11539466E-06+9.54916411E-10-5.56262722E-14 2
+-1.59318351E+03-4.69402980E+01+1.19183326E+00+4.66489693E-02-2.93898842E-05 3
++9.28937321E-09-1.18024785E-12+3.33903076E+03+2.60182626E+01 4
+C4H6CHO2-11 O 1C 5H 7 G 300.00 5000.00 1382.00 1
++1.50770441E+01+1.76352320E-02-6.15283553E-06+9.68110806E-10-5.66958265E-14 2
+-3.69027437E+03-5.25862180E+01+2.35102910E-01+4.90480953E-02-3.06247988E-05 3
++9.27600376E-09-1.08743878E-12+1.81741691E+03+2.83277222E+01 4
+NC5H11CHO-2 C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.00982291E+01+2.72817790E-02-9.36387879E-06+1.45721424E-09-8.46851264E-14 2
+-4.08938806E+04-7.82796618E+01-6.63995024E-01+7.30955033E-02-4.73492243E-05 3
++1.55631650E-08-2.07002560E-12-3.33920899E+04+3.42175340E+01 4
+NC5H11CO-2 C 6O 1H 11 G 300.00 5000.00 1391.00 1
++1.96784077E+01+2.51568048E-02-8.64540248E-06+1.34656434E-09-7.83025296E-14 2
+-2.19307480E+04-7.43546147E+01+1.16758124E-01+6.82693494E-02-4.42620972E-05 3
++1.44793001E-08-1.90521993E-12-1.48648649E+04+3.16437363E+01 4
+C5H10CHO1-2 C 6O 1H 11 G 300.00 5000.00 1391.00 1
++1.96030867E+01+2.52891123E-02-8.70536133E-06+1.35735154E-09-7.89864303E-14 2
+-1.58087615E+04-7.27643455E+01+2.50648271E-01+6.79173299E-02-4.40160471E-05 3
++1.44761571E-08-1.93001964E-12-8.80171162E+03+3.21325034E+01 4
+C5H10CHO2-2 C 6O 1H 11 G 300.00 5000.00 1387.00 1
++1.98422317E+01+2.51479748E-02-8.67006162E-06+1.35320867E-09-7.87996524E-14 2
+-2.14683129E+04-7.64444775E+01+1.73182466E+00+6.43663644E-02-4.07006946E-05 3
++1.31756525E-08-1.75720281E-12-1.47992628E+04+2.20340879E+01 4
+C5H10CHO3-2 C 6O 1H 11 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.52295650E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.26151874E+01 4
+C5H10CHO4-2 C 6O 1H 11 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.52295650E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.26151874E+01 4
+C5H10CHO5-2 C 6O 1H 11 G 300.00 5000.00 1391.00 1
++1.96030867E+01+2.52891123E-02-8.70536133E-06+1.35735154E-09-7.89864303E-14 2
+-1.58087615E+04-7.27643455E+01+2.50648271E-01+6.79173299E-02-4.40160471E-05 3
++1.44761571E-08-1.93001964E-12-8.80171162E+03+3.21325034E+01 4
+IC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1385.00 1
++1.96716027E+01+2.76137871E-02-9.47281007E-06+1.47372073E-09-8.56287665E-14 2
+-4.46968524E+04-7.70860283E+01+2.15842829E-01+6.95990530E-02-4.36127297E-05 3
++1.40149197E-08-1.85871558E-12-3.75149674E+04+2.87655890E+01 4
+IC4H9COCH2 C 6O 1H 11 G 300.00 5000.00 1388.00 1
++2.00550742E+01+2.50289534E-02-8.64295538E-06+1.35045324E-09-7.86996381E-14 2
+-2.32692903E+04-7.96295398E+01-8.85109555E-03+7.18485099E-02-5.13644229E-05 3
++1.95806869E-08-3.14088023E-12-1.62014899E+04+2.83041302E+01 4
+IC3H6CH2COCH3 C 6O 1H 11 G 300.00 5000.00 1384.00 1
++1.92350685E+01+2.54691830E-02-8.74019579E-06+1.36010558E-09-7.90430908E-14 2
+-1.96199680E+04-7.18660640E+01+9.98048049E-01+6.49643385E-02-4.10265248E-05 3
++1.33100492E-08-1.78538338E-12-1.29033820E+04+2.73030609E+01 4
+IC3H7CHCOCH3 C 6O 1H 11 G 300.00 5000.00 1388.00 1
++1.96562823E+01+2.54184878E-02-8.78893878E-06+1.37447968E-09-8.01497293E-14 2
+-2.45270816E+04-7.74993869E+01-2.51604981E-01+6.97141127E-02-4.63557738E-05 3
++1.59308350E-08-2.26917501E-12-1.73298735E+04+3.03076641E+01 4
+TC3H6CH2COCH3 C 6O 1H 11 G 300.00 5000.00 1371.00 1
++1.77113032E+01+2.67601997E-02-9.18468022E-06+1.42938449E-09-8.30724009E-14 2
+-2.15275561E+04-6.30096890E+01+4.31403212E+00+4.74850997E-02-1.58404162E-05 3
+-1.44367305E-09+1.30323000E-12-1.57256666E+04+1.28475963E+01 4
+IC3H7COC2H5 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.95742624E+01+2.79153955E-02-9.62240824E-06+1.50159041E-09-8.74272923E-14 2
+-4.46495838E+04-7.64499712E+01-6.16680077E-01+7.32642523E-02-4.89979081E-05 3
++1.73849382E-08-2.61137271E-12-3.73481224E+04+3.28134678E+01 4
+IC3H6COC2H5 C 6O 1H 11 G 300.00 5000.00 1388.00 1
++1.91427169E+01+2.57997569E-02-8.90698843E-06+1.39139804E-09-8.10704551E-14 2
+-1.95812003E+04-7.12754331E+01+1.85792567E-01+6.85681889E-02-4.63201856E-05 3
++1.66403586E-08-2.53394238E-12-1.27405850E+04+3.12500304E+01 4
+TC3H6COC2H5 C 6O 1H 11 G 300.00 5000.00 1385.00 1
++1.94096429E+01+2.56460908E-02-8.86990249E-06+1.38724701E-09-8.08943523E-14 2
+-2.52544006E+04-7.58177941E+01+1.53943727E+00+6.56302319E-02-4.39137825E-05 3
++1.59015819E-08-2.48520903E-12-1.87203799E+04+2.10366385E+01 4
+IC3H7COC2H4P C 6O 1H 11 G 300.00 5000.00 1388.00 1
++1.91427169E+01+2.57997569E-02-8.90698843E-06+1.39139804E-09-8.10704551E-14 2
+-1.95812003E+04-7.12754331E+01+1.85792567E-01+6.85681889E-02-4.63201856E-05 3
++1.66403586E-08-2.53394238E-12-1.27405850E+04+3.12500304E+01 4
+IC3H7COC2H4S C 6O 1H 11 G 300.00 5000.00 1391.00 1
++1.98203739E+01+2.53580298E-02-8.78518135E-06+1.37564474E-09-8.02875152E-14 2
+-2.45797543E+04-7.83471052E+01-1.70558101E+00+7.60903708E-02-5.54669217E-05 3
++2.13940243E-08-3.44499097E-12-1.70692585E+04+3.72359808E+01 4
+IC3H5COC2H5 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.87507788E+01+2.39971118E-02-8.28168460E-06+1.29336620E-09-7.53430880E-14 2
+-3.06311914E+04-7.17081859E+01+9.32448574E-01+6.57899872E-02-4.70608871E-05 3
++1.83043778E-08-3.03065842E-12-2.43309438E+04+2.41443648E+01 4
+AC3H4COC2H5 C 6O 1H 9 G 300.00 5000.00 1389.00 1
++1.97160567E+01+2.09105684E-02-7.28102584E-06+1.14398254E-09-6.69250385E-14 2
+-1.26601703E+04-7.73334256E+01+2.22257490E-02+6.98924485E-02-5.57441882E-05 3
++2.36923195E-08-4.16823986E-12-6.00720413E+03+2.75671654E+01 4
+IC3H5COC2H4P C 6O 1H 9 G 300.00 5000.00 1388.00 1
++1.83242746E+01+2.18703696E-02-7.56100862E-06+1.18221142E-09-6.89246734E-14 2
+-5.56408662E+03-6.65602309E+01+1.73482909E+00+6.10899133E-02-4.43710538E-05 3
++1.75466750E-08-2.94922111E-12+2.76716397E+02+2.25822178E+01 4
+IC3H5COC2H4S C 6O 1H 9 G 300.00 5000.00 1391.00 1
++1.89823944E+01+2.13803288E-02-7.40835524E-06+1.16018120E-09-6.77175714E-14 2
+-1.05407468E+04-7.34787496E+01+3.03036638E-01+6.64634913E-02-5.02432600E-05 3
++2.02128668E-08-3.38770724E-12-4.11851053E+03+2.64622328E+01 4
+IC3H7COCH3 H 10O 1C 5 G 300.00 5000.00 1389.00 1
++1.66064519E+01+2.32019647E-02-7.99419096E-06+1.24726904E-09-7.26144595E-14 2
+-4.05445159E+04-6.23441565E+01-9.31815420E-01+6.11577694E-02-3.86369073E-05 3
++1.22337141E-08-1.55133066E-12-3.41205261E+04+3.29700276E+01 4
+IC3H7COCH2 O 1C 5H 9 G 300.00 5000.00 1392.00 1
++1.71358006E+01+2.04135931E-02-7.07825623E-06+1.10904867E-09-6.47575444E-14 2
+-1.91759763E+04-6.57203548E+01-1.39438834E+00+6.43760252E-02-4.76105491E-05 3
++1.84219134E-08-2.94771401E-12-1.27695653E+04+3.36240984E+01 4
+IC3H6COCH3 O 1C 5H 9 G 300.00 5000.00 1388.00 1
++1.61723542E+01+2.12415058E-02-7.36560280E-06+1.15405451E-09-6.73833225E-14 2
+-1.55092968E+04-5.72444093E+01-4.44749274E-01+5.79587426E-02-3.82556215E-05 3
++1.30231961E-08-1.83858852E-12-9.46805936E+03+3.28465446E+01 4
+TC3H6COCH3 O 1C 5H 9 G 300.00 5000.00 1384.00 1
++1.63530510E+01+2.10676490E-02-7.30082755E-06+1.14341930E-09-6.67420849E-14 2
+-2.11207671E+04-6.12189536E+01+1.49496642E+00+5.23112685E-02-3.18357357E-05 3
++9.76462981E-09-1.22303232E-12-1.55329086E+04+1.99445543E+01 4
+C5H91-2 C 5H 9 G 300.00 5000.00 1390.00 1
++1.39474859E+01+2.04521287E-02-6.96967387E-06+1.07931978E-09-6.25066129E-14 2
++1.90755987E+04-4.67176900E+01+7.12538388E-01+4.89480531E-02-2.99536208E-05 3
++9.37086243E-09-1.19699264E-12+2.39583024E+04+2.52948336E+01 4
+IC5H8 H 8C 5 G 300.00 5000.00 1397.00 1
++1.44434478E+01+1.79881464E-02-6.13571042E-06+9.50663040E-10-5.50722345E-14 2
++2.24578329E+03-5.33800482E+01-1.11131238E+00+5.91227821E-02-4.93559208E-05 3
++2.20613521E-08-4.02420818E-12+7.23728071E+03+2.85722066E+01 4
+IC5H7 C 5H 7 G 300.00 5000.00 1400.00 1
++1.48523478E+01+1.55764392E-02-5.31690304E-06+8.24223820E-10-4.77657150E-14 2
++2.04956443E+04-5.57447845E+01-2.02197006E+00+6.36290064E-02-5.92705516E-05 3
++2.85610470E-08-5.45166203E-12+2.55520226E+04+3.19175495E+01 4
+IC5H7O O 1C 5H 7 G 300.00 5000.00 1400.00 1
++1.62444018E+01+1.64622833E-02-5.61159358E-06+8.69195043E-10-5.03459699E-14 2
++1.04712677E+04-5.86535026E+01+1.85980968E-02+5.95559487E-02-5.06312537E-05 3
++2.25692249E-08-4.06207685E-12+1.56080849E+04+2.66826190E+01 4
+C4H5 H 5C 4 G 300.00 3000.00 1000.00 1
++1.02290920E+01+9.48501380E-03-9.04064450E-08-1.25961000E-09+2.47814680E-13 2
++3.46428120E+04-2.85645290E+01-1.99329000E-02+3.80056720E-02-2.75594500E-05 3
++7.78355510E-09+4.02093830E-13+3.74962230E+04+2.43942410E+01 4
+IC4H7-I1 C 4H 7 G 300.00 5000.00 1389.00 1
++1.10957600E+01+1.57810049E-02-5.38419615E-06+8.34360121E-10-4.83401481E-14 2
++2.24175827E+04-3.40426822E+01+1.87632434E+00+3.54486107E-02-2.13104949E-05 3
++6.73400492E-09-9.03166339E-13+2.58712914E+04+1.62429161E+01 4
+C7H16-24 C 7H 16 G 300.00 5000.00 1391.00 1
++2.22587834E+01+3.52460342E-02-1.21165333E-05+1.88731524E-09-1.09741951E-13 2
+-3.66865565E+04-9.49273295E+01-2.25657881E+00+8.93437536E-02-5.76290654E-05 3
++1.93991731E-08-2.72881106E-12-2.77531748E+04+3.80308727E+01 4
+XC7H15 H 15C 7 G 300.00 5000.00 1391.00 1
++2.18442431E+01+3.30970511E-02-1.13855507E-05+1.77428049E-09-1.03203205E-13 2
+-1.16221052E+04-8.98480981E+01-1.48792779E+00+8.47935030E-02-5.51477546E-05 3
++1.87561345E-08-2.66966132E-12-3.14049112E+03+3.66194993E+01 4
+YC7H15 H 15C 7 G 300.00 5000.00 1384.00 1
++2.04581471E+01+3.43076361E-02-1.18102635E-05+1.84129611E-09-1.07133806E-13 2
+-1.34978774E+04-8.18212264E+01+1.30897106E+00+6.96136442E-02-3.31150057E-05 3
++5.82888256E-09+3.54427314E-14-5.78512513E+03+2.45658235E+01 4
+ZC7H15 H 15C 7 G 300.00 5000.00 1388.00 1
++2.14125023E+01+3.31721888E-02-1.13499859E-05+1.76256438E-09-1.02279053E-13 2
+-1.28665096E+04-8.69738045E+01-1.20411785E+00+8.05601821E-02-4.75710195E-05 3
++1.36213268E-08-1.47301903E-12-4.42797757E+03+3.64892374E+01 4
+XC7H14 C 7H 14 G 300.00 5000.00 1392.00 1
++2.10164030E+01+3.15214597E-02-1.08073947E-05+1.68040191E-09-9.75892313E-14 2
+-2.12117050E+04-8.63818785E+01-1.33081497E+00+8.21082352E-02-5.49123303E-05 3
++1.94284948E-08-2.88886542E-12-1.32021384E+04+3.43549746E+01 4
+YC7H14 C 7H 14 G 300.00 5000.00 1392.00 1
++2.05074323E+01+3.19644167E-02-1.09618778E-05+1.70463736E-09-9.90036120E-14 2
+-2.23945609E+04-8.39266561E+01-8.42232649E-01+7.89798297E-02-5.04574475E-05 3
++1.68934048E-08-2.37201987E-12-1.45971538E+04+3.19096189E+01 4
+XC7H13-X1 C 7H 13 G 300.00 5000.00 1395.00 1
++2.14417898E+01+2.90951798E-02-9.98351421E-06+1.55317233E-09-9.02369517E-14 2
+-2.99153492E+03-8.88433445E+01-2.29007165E+00+8.67901762E-02-6.50308381E-05 3
++2.60293741E-08-4.33490360E-12+5.10076243E+03+3.79380624E+01 4
+XC7H13-Z C 7H 13 G 300.00 5000.00 1392.00 1
++2.06194069E+01+2.98279790E-02-1.02443684E-05+1.59476927E-09-9.26958038E-14 2
+-4.13779765E+03-8.54759101E+01-1.64635315E+00+8.04509949E-02-5.44891453E-05 3
++1.93900770E-08-2.88082382E-12+3.80138821E+03+3.47109409E+01 4
+XC7H13-X2 C 7H 13 G 300.00 5000.00 1392.00 1
++2.06333635E+01+2.93596738E-02-1.00751188E-05+1.56749343E-09-9.10712060E-14 2
++3.81709053E+03-8.14872912E+01-6.81487817E-01+7.81587844E-02-5.33415630E-05 3
++1.93596117E-08-2.95878717E-12+1.14062580E+04+3.34850181E+01 4
+XC7H13-Y2 C 7H 13 G 300.00 5000.00 1384.00 1
++1.90334388E+01+3.07312993E-02-1.05503266E-05+1.64182432E-09-9.54035635E-14 2
++2.04280444E+03-7.21904286E+01+2.75611600E+00+6.00861401E-02-2.73082667E-05 3
++4.10488099E-09+2.37051604E-13+8.66819644E+03+1.84800966E+01 4
+YC7H13-Y2 C 7H 13 G 300.00 5000.00 1389.00 1
++1.96153468E+01+3.07074105E-02-1.05530468E-05+1.64345959E-09-9.55499728E-14 2
+-6.29650914E+03-8.09254914E+01-3.06783292E-01+7.20691145E-02-4.20233916E-05 3
++1.20050088E-08-1.32605214E-12+1.21727364E+03+2.80339431E+01 4
+YC7H13-X2 C 7H 13 G 300.00 5000.00 1392.00 1
++2.00933242E+01+2.98145345E-02-1.02304735E-05+1.59152568E-09-9.24599545E-14 2
++2.64933003E+03-7.88503811E+01-7.91768575E-02+7.44508349E-02-4.80063873E-05 3
++1.62687796E-08-2.31692063E-12+9.99635526E+03+3.05249774E+01 4
+XC7H13O-Z O 1C 7H 13 G 300.00 5000.00 1393.00 1
++2.44947643E+01+2.76331607E-02-9.27884306E-06+1.42378456E-09-8.19634936E-14 2
+-1.56065414E+04-1.01342872E+02-2.29755615E+00+9.42066780E-02-7.32881979E-05 3
++2.96623011E-08-4.88038965E-12-6.75095244E+03+4.10526275E+01 4
+YC7H13O-Y2 O 1C 7H 13 G 300.00 5000.00 1391.00 1
++2.44895570E+01+2.72499278E-02-9.06880008E-06+1.38347877E-09-7.93299137E-14 2
+-1.87690928E+04-1.02028362E+02-7.27101657E-01+8.87136384E-02-6.66483821E-05 3
++2.60146126E-08-4.12941257E-12-1.03333355E+04+3.23860863E+01 4
+XC7H15O2 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.56414129E+01+3.47282720E-02-1.19896068E-05+1.87291322E-09-1.09123152E-13 2
+-3.07410559E+04-1.04954825E+02-3.84752007E-02+9.34559105E-02-6.43540160E-05 3
++2.37092902E-08-3.70460189E-12-2.15504468E+04+3.36546874E+01 4
+YC7H15O2 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.63777368E+01+3.40995934E-02-1.17718548E-05+1.83881800E-09-1.07133205E-13 2
+-3.39133584E+04-1.11594572E+02-1.76194227E-01+9.72567634E-02-7.10835784E-05 3
++2.80486966E-08-4.66877903E-12-2.46466146E+04+3.08813371E+01 4
+ZC7H15O2 H 15C 7O 2 G 300.00 5000.00 1392.00 1
++2.63546014E+01+3.40976129E-02-1.17666253E-05+1.83754787E-09-1.07041520E-13 2
+-3.32966218E+04-1.10629431E+02-1.09410159E+00+9.99287589E-02-7.39793556E-05 3
++2.94068415E-08-4.90156423E-12-2.37993417E+04+3.64080629E+01 4
+XC7H15O2H C 7O 2H 16 G 300.00 5000.00 1390.00 1
++2.81216777E+01+3.48595780E-02-1.20626646E-05+1.88740293E-09-1.10097870E-13 2
+-4.86610859E+04-1.19350859E+02-1.07998201E+00+1.02632930E-01-7.30114235E-05 3
++2.72817863E-08-4.24730414E-12-3.83873878E+04+3.77857109E+01 4
+YC7H15O2H C 7O 2H 16 G 300.00 5000.00 1391.00 1
++2.88447004E+01+3.42584124E-02-1.18579214E-05+1.85569904E-09-1.08261580E-13 2
+-5.18320516E+04-1.25923739E+02-1.20161039E+00+1.06345258E-01-7.96123831E-05 3
++3.15543609E-08-5.19979696E-12-4.14854280E+04+3.49419277E+01 4
+ZC7H15O2H C 7O 2H 16 G 300.00 5000.00 1392.00 1
++2.88229476E+01+3.43227287E-02-1.18901707E-05+1.86177460E-09-1.08657283E-13 2
+-5.12136411E+04-1.24971491E+02-2.58640712E+00+1.11560622E-01-8.67188425E-05 3
++3.57207770E-08-6.08505338E-12-4.05800374E+04+4.25341257E+01 4
+XC7H15O H 15O 1C 7 G 300.00 5000.00 1394.00 1
++2.41616909E+01+3.32639410E-02-1.13554345E-05+1.76073607E-09-1.02065780E-13 2
+-2.89036843E+04-9.99171927E+01-2.12392457E+00+9.42337139E-02-6.56213910E-05 3
++2.38766720E-08-3.58807400E-12-1.97093497E+04+4.14440060E+01 4
+YC7H15O H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.47809281E+01+3.28455378E-02-1.12333696E-05+1.74388123E-09-1.01169596E-13 2
+-3.24443314E+04-1.05462269E+02-2.14864865E+00+9.76137225E-02-7.19206795E-05 3
++2.80967216E-08-4.55397977E-12-2.32266835E+04+3.85922413E+01 4
+ZC7H15O H 15O 1C 7 G 300.00 5000.00 1394.00 1
++2.45898334E+01+3.33410501E-02-1.14764761E-05+1.78922434E-09-1.04105238E-13 2
+-3.12830956E+04-1.04155336E+02-2.84044982E+00+9.93875924E-02-7.37966239E-05 3
++2.91964205E-08-4.81215712E-12-2.18617942E+04+4.26176405E+01 4
+XC7H14OOH-X1 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.76866934E+01+3.27519448E-02-1.13511515E-05+1.77794106E-09-1.03788494E-13 2
+-2.35926173E+04-1.14159415E+02-2.51727235E-01+9.78145920E-02-7.01472152E-05 3
++2.64234133E-08-4.14539753E-12-1.37835369E+04+3.61045018E+01 4
+XC7H14OOH-Y1 H 15C 7O 2 G 300.00 5000.00 1384.00 1
++2.61414592E+01+3.40778275E-02-1.18110807E-05+1.84996634E-09-1.07990658E-13 2
+-2.53953124E+04-1.04497256E+02+2.95681082E+00+8.07846396E-02-4.56461631E-05 3
++1.21120567E-08-1.15794225E-12-1.64878756E+04+2.28485210E+01 4
+XC7H14OOH-Z H 15C 7O 2 G 300.00 5000.00 1386.00 1
++2.76489022E+01+3.21124316E-02-1.09907912E-05+1.70782491E-09-9.91661874E-14 2
+-2.49553598E+04-1.13432329E+02-2.95763440E-01+9.48248078E-02-6.38882580E-05 3
++2.16789885E-08-2.95322694E-12-1.50176743E+04+3.75215127E+01 4
+XC7H14OOH-Y2 H 15C 7O 2 G 300.00 5000.00 1384.00 1
++2.61414592E+01+3.40778275E-02-1.18110807E-05+1.84996634E-09-1.07990658E-13 2
+-2.53953124E+04-1.04497256E+02+2.95681082E+00+8.07846396E-02-4.56461631E-05 3
++1.21120567E-08-1.15794225E-12-1.64878756E+04+2.28485210E+01 4
+XC7H14OOH-X2 H 15C 7O 2 G 300.00 5000.00 1390.00 1
++2.76866934E+01+3.27519448E-02-1.13511515E-05+1.77794106E-09-1.03788494E-13 2
+-2.35926173E+04-1.14159415E+02-2.51727235E-01+9.78145920E-02-7.01472152E-05 3
++2.64234133E-08-4.14539753E-12-1.37835369E+04+3.61045018E+01 4
+YC7H14OOH-X1 H 15C 7O 2 G 300.00 5000.00 1391.00 1
++2.84263901E+01+3.21157100E-02-1.11297910E-05+1.74318113E-09-1.01755830E-13 2
+-2.67666014E+04-1.20824059E+02-4.18454720E-01+1.01727305E-01-7.70306053E-05 3
++3.08511142E-08-5.12782774E-12-1.68748345E+04+3.34641392E+01 4
+YC7H14OOH-Z H 15C 7O 2 G 300.00 5000.00 1387.00 1
++2.84317632E+01+3.13846101E-02-1.07271569E-05+1.66546594E-09-9.66539919E-14 2
+-2.81425544E+04-1.20322658E+02-4.53555924E-01+9.86867641E-02-7.06903916E-05 3
++2.60354449E-08-3.91550543E-12-1.81099665E+04+3.48473860E+01 4
+YC7H14OOH-Y2 H 15C 7O 2 G 300.00 5000.00 1385.00 1
++2.68731550E+01+3.34845150E-02-1.16124145E-05+1.81956167E-09-1.06244196E-13 2
+-2.85750405E+04-1.11134463E+02+2.66995736E+00+8.52276202E-02-5.33279784E-05 3
++1.70579835E-08-2.26030253E-12-1.95608398E+04+2.07706674E+01 4
+YC7H14OOH-X2 H 15C 7O 2 G 300.00 5000.00 1391.00 1
++2.84263901E+01+3.21157100E-02-1.11297910E-05+1.74318113E-09-1.01755830E-13 2
+-2.67666014E+04-1.20824059E+02-4.18454720E-01+1.01727305E-01-7.70306053E-05 3
++3.08511142E-08-5.12782774E-12-1.68748345E+04+3.34641392E+01 4
+ZC7H14OOH-X H 15C 7O 2 G 300.00 5000.00 1392.00 1
++2.85250212E+01+3.20467109E-02-1.11097617E-05+1.74048822E-09-1.01617868E-13 2
+-2.62116897E+04-1.20590636E+02-1.21852743E+00+1.03879517E-01-7.89028432E-05 3
++3.14758860E-08-5.18634373E-12-1.60472671E+04+3.84351061E+01 4
+ZC7H14OOH-Y H 15C 7O 2 G 300.00 5000.00 1386.00 1
++2.71410520E+01+3.32303001E-02-1.15196486E-05+1.80462020E-09-1.05357677E-13 2
+-2.80696357E+04-1.11832960E+02+2.16826305E+00+8.62685635E-02-5.33544912E-05 3
++1.63970010E-08-2.00930691E-12-1.87867536E+04+2.43016302E+01 4
+XC7H14OOH-X1O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.15322755E+01+3.44371244E-02-1.19956214E-05+1.88521208E-09-1.10307538E-13 2
+-4.27760338E+04-1.29648751E+02+9.60077795E-01+1.07424861E-01-8.07155479E-05 3
++3.22915945E-08-5.40466748E-12-3.21544359E+04+3.42589712E+01 4
+XC7H14OOH-X2O2 O 4H 15C 7 G 300.00 5000.00 1388.00 1
++3.15322755E+01+3.44371244E-02-1.19956214E-05+1.88521208E-09-1.10307538E-13 2
+-4.27760338E+04-1.29648751E+02+9.60077795E-01+1.07424861E-01-8.07155479E-05 3
++3.22915945E-08-5.40466748E-12-3.21544359E+04+3.42589712E+01 4
+XC7H14OOH-Y1O2 O 4H 15C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+XC7H14OOH-Y2O2 O 4H 15C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+XC7H14OOH-ZO2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.22331834E+01+3.37949275E-02-1.17636766E-05+1.84791914E-09-1.08091994E-13 2
+-4.53115547E+04-1.34526043E+02+2.62221649E-01+1.12421430E-01-8.82148153E-05 3
++3.66846463E-08-6.31390293E-12-3.44607256E+04+3.60200098E+01 4
+YC7H14OOH-X1O2 O 4H 15C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+YC7H14OOH-X2O2 O 4H 15C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+YC7H14OOH-Y2O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.29900436E+01+3.31872151E-02-1.15615317E-05+1.81712155E-09-1.06328553E-13 2
+-4.91154944E+04-1.42843619E+02+7.69727874E-01+1.14558604E-01-9.34126077E-05 3
++4.04699984E-08-7.21791782E-12-3.83571393E+04+2.83373178E+01 4
+YC7H14OOH-ZO2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.29254056E+01+3.31981348E-02-1.15556227E-05+1.81519676E-09-1.06176106E-13 2
+-4.84651957E+04-1.40908316E+02+1.85907885E-01+1.15895777E-01-9.44923584E-05 3
++4.07632596E-08-7.22335853E-12-3.75641932E+04+3.29762499E+01 4
+ZC7H14OOH-XO2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.22331834E+01+3.37949275E-02-1.17636766E-05+1.84791914E-09-1.08091994E-13 2
+-4.53115547E+04-1.34526043E+02+2.62221649E-01+1.12421430E-01-8.82148153E-05 3
++3.66846463E-08-6.31390293E-12-3.44607256E+04+3.60200098E+01 4
+ZC7H14OOH-YO2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.29254056E+01+3.31981348E-02-1.15556227E-05+1.81519676E-09-1.06176106E-13 2
+-4.84651957E+04-1.40908316E+02+1.85907885E-01+1.15895777E-01-9.44923584E-05 3
++4.07632596E-08-7.22335853E-12-3.75641932E+04+3.29762499E+01 4
+X-X1C7H14O O 1C 7H 14 G 300.00 5000.00 1396.00 1
++2.26665402E+01+3.28947065E-02-1.12431532E-05+1.74493332E-09-1.01220189E-13 2
+-3.38478263E+04-9.69401657E+01-5.93233379E+00+9.96147343E-02-7.05301783E-05 3
++2.56339002E-08-3.78592163E-12-2.39466812E+04+5.66181792E+01 4
+X-X2C7H14O O 1C 7H 14 G 300.00 5000.00 1393.00 1
++2.27906942E+01+3.39393031E-02-1.16718767E-05+1.81912714E-09-1.05839343E-13 2
+-4.65745416E+04-1.04541368E+02-8.42909188E+00+1.05647860E-01-7.39367542E-05 3
++2.61424000E-08-3.71654327E-12-3.56658262E+04+6.34695107E+01 4
+X-Y1C7H14O O 1C 7H 14 G 300.00 5000.00 1397.00 1
++2.39939903E+01+3.14792359E-02-1.07826081E-05+1.67573435E-09-9.72935479E-14 2
+-3.65173057E+04-1.03924708E+02-4.16787595E+00+9.99803184E-02-7.54665578E-05 3
++2.98407957E-08-4.84556052E-12-2.69997568E+04+4.63736105E+01 4
+X-Y2C7H14O O 1C 7H 14 G 300.00 5000.00 1397.00 1
++2.27255338E+01+3.32678588E-02-1.13715614E-05+1.76494537E-09-1.02384190E-13 2
+-4.74801924E+04-1.00170531E+02-7.91193918E+00+1.07366742E-01-8.04748615E-05 3
++3.12951872E-08-4.96683838E-12-3.71265521E+04+6.34185869E+01 4
+X-ZC7H14O O 1C 7H 14 G 300.00 5000.00 1399.00 1
++2.30507052E+01+3.27569243E-02-1.12344217E-05+1.74738309E-09-1.01510008E-13 2
+-3.61254713E+04-1.00035198E+02-6.17862835E+00+1.02848356E-01-7.59942354E-05 3
++2.91603851E-08-4.57622862E-12-2.61745897E+04+5.62691178E+01 4
+Y-YC7H14O O 1C 7H 14 G 300.00 5000.00 1397.00 1
++2.39674197E+01+3.19629086E-02-1.09575314E-05+1.70388263E-09-9.89667798E-14 2
+-4.09521819E+04-1.07004135E+02-6.12471972E+00+1.06936922E-01-8.38262727E-05 3
++3.44195785E-08-5.77838259E-12-3.09582104E+04+5.29684725E+01 4
+Y-ZC7H14O O 1C 7H 14 G 300.00 5000.00 1399.00 1
++2.45279841E+01+3.11656013E-02-1.07038606E-05+1.66638951E-09-9.68649509E-14 2
+-3.88685243E+04-1.07909911E+02-4.91085052E+00+1.05210433E-01-8.35686401E-05 3
++3.48335772E-08-5.93251290E-12-2.91477688E+04+4.83640609E+01 4
+C7KET24XX1 O 3C 7H 14 G 300.00 5000.00 1390.00 1
++2.91773205E+01+3.16574729E-02-1.10131609E-05+1.72942809E-09-1.01139477E-13 2
+-5.82061964E+04-1.20841473E+02-3.70842437E-01+1.01207029E-01-7.44929029E-05 3
++2.85454154E-08-4.51955286E-12-4.79358937E+04+3.77687030E+01 4
+C7KET24XY1 O 3C 7H 14 G 300.00 5000.00 1391.00 1
++3.05986062E+01+3.04830919E-02-1.06169237E-05+1.66863133E-09-9.76462072E-14 2
+-6.12856877E+04-1.31157962E+02+6.41882798E-03+1.01759566E-01-7.41285910E-05 3
++2.74791897E-08-4.13984783E-12-5.06560053E+04+3.31872703E+01 4
+C7KET24XZ O 3C 7H 14 G 300.00 5000.00 1392.00 1
++3.00499738E+01+3.09109258E-02-1.07549224E-05+1.68908229E-09-9.87900071E-14 2
+-6.08371300E+04-1.26080160E+02-1.14060367E+00+1.06356265E-01-8.17595796E-05 3
++3.26105395E-08-5.33201882E-12-5.02289831E+04+4.05757595E+01 4
+C7KET24XY2 O 3C 7H 14 G 300.00 5000.00 1391.00 1
++2.99220507E+01+3.10354540E-02-1.08007132E-05+1.69647016E-09-9.92281409E-14 2
+-6.13838880E+04-1.26847399E+02-6.22798600E-01+1.05547947E-01-8.20361319E-05 3
++3.33950559E-08-5.59748012E-12-5.10157719E+04+3.62065727E+01 4
+C7KET24XX2 O 3C 7H 14 G 300.00 5000.00 1390.00 1
++2.91773205E+01+3.16574729E-02-1.10131609E-05+1.72942809E-09-1.01139477E-13 2
+-5.82061964E+04-1.20151991E+02-3.70842437E-01+1.01207029E-01-7.44929029E-05 3
++2.85454154E-08-4.51955286E-12-4.79358937E+04+3.84581846E+01 4
+C7KET24ZX O 3C 7H 14 G 300.00 5000.00 1390.00 1
++2.92298738E+01+3.17211520E-02-1.10600349E-05+1.73941402E-09-1.01831297E-13 2
+-6.20924140E+04-1.21861626E+02-2.08943567E+00+1.06507904E-01-8.05300329E-05 3
++3.16495195E-08-5.12149728E-12-5.13207242E+04+4.58648718E+01 4
+C7KET24ZY O 3C 7H 14 G 300.00 5000.00 1391.00 1
++3.07201914E+01+3.05414582E-02-1.06739606E-05+1.68146856E-09-9.85557204E-14 2
+-6.52233218E+04-1.33320723E+02-1.81246994E+00+1.07397367E-01-8.04619526E-05 3
++3.07120590E-08-4.76647747E-12-5.40235336E+04+4.10770246E+01 4
+XC7H14OH H 15O 1C 7 G 300.00 5000.00 1386.00 1
++2.22783263E+01+3.43327362E-02-1.16997135E-05+1.81185921E-09-1.04934239E-13 2
+-3.19677719E+04-8.54790118E+01+1.88943975E+00+7.43381040E-02-3.88094379E-05 3
++8.74062545E-09-4.92170854E-13-2.40700279E+04+2.68171689E+01 4
+YC7H14OH H 15O 1C 7 G 300.00 5000.00 1389.00 1
++2.27293371E+01+3.43645876E-02-1.17989857E-05+1.83627381E-09-1.06708101E-13 2
+-3.42895016E+04-9.04748301E+01+1.36660349E+00+7.90423499E-02-4.65478027E-05 3
++1.38397859E-08-1.67038637E-12-2.62284524E+04+2.63092261E+01 4
+XO2C7H14OH O 3H 15C 7 G 300.00 5000.00 1397.00 1
++2.73863988E+01+3.45662399E-02-1.17551163E-05+1.81764080E-09-1.05147179E-13 2
+-5.18970846E+04-1.10029790E+02+1.19975843E+00+9.92007500E-02-7.45281247E-05 3
++3.02238575E-08-5.10583956E-12-4.30635722E+04+2.95218725E+01 4
+YO2C7H14OH O 3H 15C 7 G 300.00 5000.00 1399.00 1
++2.82113574E+01+3.39628072E-02-1.15682001E-05+1.79065554E-09-1.03663938E-13 2
+-5.43388441E+04-1.15707359E+02+4.75540024E-01+1.04224433E-01-8.16974991E-05 3
++3.43215207E-08-5.94520562E-12-4.51793605E+04+3.14329685E+01 4
+ACC6H10 C 6H 10 G 300.00 5000.00 1395.00 1
++1.71179863E+01+2.28897637E-02-7.81690438E-06+1.21213325E-09-7.02598741E-14 2
+-3.26888037E+03-6.66240298E+01-7.62523956E-01+6.76164058E-02-5.21691523E-05 3
++2.17987069E-08-3.79061510E-12+2.72970447E+03+2.84975422E+01 4
+ACC6H9-A C 6H 9 G 300.00 5000.00 1398.00 1
++1.75340261E+01+2.04761944E-02-6.99836000E-06+1.08582750E-09-6.29648075E-14 2
++1.49755134E+04-6.90316659E+01-1.70849840E+00+7.22432674E-02-6.22150506E-05 3
++2.83599259E-08-5.22870348E-12+2.10506573E+04+3.20184824E+01 4
+ACC6H9-D C 6H 9 G 300.00 5000.00 1398.00 1
++1.75340261E+01+2.04761944E-02-6.99836000E-06+1.08582750E-09-6.29648075E-14 2
++1.49755134E+04-6.90316659E+01-1.70849840E+00+7.22432674E-02-6.22150506E-05 3
++2.83599259E-08-5.22870348E-12+2.10506573E+04+3.20184824E+01 4
+NEOC5H12 H 12C 5 G 300.00 5000.00 1380.00 1
++1.27806765E+01+3.70070524E-02-1.45062377E-05+2.44060047E-09-1.48999316E-13 2
+-2.88309615E+04-5.30464429E+01+5.02070151E+00+3.12645024E-02+1.44944421E-05 3
+-1.94266921E-08+4.79323580E-12-2.31797674E+04-1.95757948E+00 4
+NEOC5H11 C 5H 11 G 300.00 5000.00 1449.00 1
++2.03101659E+01+2.14646697E-02-7.72125763E-06+1.23982682E-09-7.36407564E-14 2
+-6.45138607E+03-9.01108572E+01+3.39222761E+00+3.54069089E-02+1.20020080E-05 3
+-2.34112635E-08+6.79995937E-12+1.81088321E+03+9.54432517E+00 4
+NEOC5H11O2H H 12C 5O 2 G 300.00 5000.00 1393.00 1
++2.30055594E+01+2.48094574E-02-8.60476532E-06+1.34851605E-09-7.87533536E-14 2
+-4.11576544E+04-9.75546111E+01-1.35552468E+00+8.40709229E-02-6.47631200E-05 3
++2.59805766E-08-4.27483246E-12-3.29053072E+04+3.24915628E+01 4
+NEOC5H11O2 C 5H 11O 2 G 300.00 5000.00 1392.00 1
++2.05483317E+01+2.46304650E-02-8.50918788E-06+1.32989124E-09-7.75131681E-14 2
+-2.32426335E+04-8.32803718E+01-3.91775516E-01+7.52300028E-02-5.65787545E-05 3
++2.26724856E-08-3.78445370E-12-1.60564398E+04+2.87221556E+01 4
+NEOC5H11O O 1C 5H 11 G 300.00 5000.00 1399.00 1
++1.91195281E+01+2.30837786E-02-7.83941709E-06+1.21152000E-09-7.00727365E-14 2
+-2.14257999E+04-7.85283647E+01-2.41265702E+00+7.56872456E-02-5.73116804E-05 3
++2.24731318E-08-3.58123651E-12-1.42243837E+04+3.62184819E+01 4
+NEOC5H10OOH C 5H 11O 2 G 300.00 5000.00 1393.00 1
++2.25938496E+01+2.26535559E-02-7.87044393E-06+1.23486461E-09-7.21749471E-14 2
+-1.60940953E+04-9.13887696E+01-6.05220938E-01+7.95912576E-02-6.23765713E-05 3
++2.53893962E-08-4.22581104E-12-8.28955104E+03+3.22696177E+01 4
+NEO-C5H10O H 10O 1C 5 G 300.00 5000.00 1403.00 1
++1.76460110E+01+2.26810717E-02-7.71282279E-06+1.19323852E-09-6.90742459E-14 2
+-2.67804002E+04-7.31948416E+01-6.21847733E+00+8.10795749E-02-6.22501526E-05 3
++2.42500217E-08-3.78360032E-12-1.88653812E+04+5.38517819E+01 4
+NEOC5H10OOH-O2 O 4C 5H 11 G 300.00 5000.00 1389.00 1
++2.64382058E+01+2.43196513E-02-8.50395001E-06+1.33997386E-09-7.85500831E-14 2
+-3.52730137E+04-1.07549044E+02+7.25192782E-01+8.86390464E-02-7.20740991E-05 3
++3.06945725E-08-5.35625298E-12-2.66774545E+04+2.91925393E+01 4
+NEOC5H9Q2 O 4C 5H 11 G 300.00 5000.00 1390.00 1
++2.84924817E+01+2.23169431E-02-7.85239093E-06+1.24255070E-09-7.30566568E-14 2
+-2.81259185E+04-1.16798635E+02+5.36224909E-01+9.28531598E-02-7.76106867E-05 3
++3.32225137E-08-5.75083671E-12-1.89132804E+04+3.15372433E+01 4
+NEOC5H9Q2-N O 4C 5H 11 G 300.00 5000.00 1389.00 1
++2.84283606E+01+2.23619635E-02-7.86547442E-06+1.24430912E-09-7.31466295E-14 2
+-3.05855190E+04-1.16031982E+02+2.05191235E+00+8.76308565E-02-7.11248833E-05 3
++2.97224410E-08-5.05675432E-12-2.17504634E+04+2.44010834E+01 4
+NEOC5KET H 10O 3C 5 G 300.00 5000.00 1392.00 1
++2.41117737E+01+2.15583159E-02-7.53756458E-06+1.18774259E-09-6.96319686E-14 2
+-5.03865650E+04-9.82600424E+01-2.93866665E-01+8.08589203E-02-6.33447432E-05 3
++2.53685892E-08-4.12504952E-12-4.21493526E+04+3.19875845E+01 4
+NEOC5KETOX C 5O 2H 9 G 300.00 5000.00 1397.00 1
++2.02085594E+01+1.98922444E-02-6.80238854E-06+1.05642957E-09-6.13207764E-14 2
+-3.06516733E+04-7.91464968E+01-1.28848119E+00+7.23078481E-02-5.57421308E-05 3
++2.18319155E-08-3.43735834E-12-2.34809037E+04+3.54017618E+01 4
+NEOC5KEJOL C 5O 2H 9 G 300.00 5000.00 1398.00 1
++1.98786165E+01+1.96143658E-02-6.67699815E-06+1.03377708E-09-5.98769869E-14 2
+-3.79829779E+04-7.56009507E+01-5.89078395E-01+6.96251860E-02-5.34739597E-05 3
++2.09396311E-08-3.29975554E-12-3.11678008E+04+3.34219207E+01 4
+IC4H6Q2-II O 4H 8C 4 G 300.00 5000.00 1395.00 1
++2.24051581E+01+1.75562429E-02-6.07364156E-06+9.50166957E-10-5.54197350E-14 2
+-3.21818575E+04-8.09661209E+01+5.23327960E+00+6.08735678E-02-4.90787099E-05 3
++2.07966368E-08-3.60550230E-12-2.64988062E+04+1.01881862E+01 4
+NEOC6H14 C 6H 14 G 300.00 5000.00 1397.00 1
++2.06883286E+01+2.88781796E-02-9.81789236E-06+1.51824834E-09-8.78482687E-14 2
+-3.33494682E+04-8.99844746E+01-3.12747832E+00+8.44727715E-02-5.93030427E-05 3
++2.15157398E-08-3.18466066E-12-2.51021282E+04+3.78888101E+01 4
+FC6H13 C 6H 13 G 300.00 5000.00 1397.00 1
++2.02634240E+01+2.67379786E-02-9.08984494E-06+1.40565477E-09-8.13342971E-14 2
+-8.27920571E+03-8.37456502E+01-2.36606554E+00+7.99561662E-02-5.68809640E-05 3
++2.09107562E-08-3.13360357E-12-4.88329998E+02+3.76080899E+01 4
+GC6H13 C 6H 13 G 300.00 5000.00 1390.00 1
++2.00983090E+01+2.64273080E-02-8.89430923E-06+1.36679972E-09-7.87612858E-14 2
+-9.64324892E+03-8.34925532E+01-1.92822448E+00+7.49679480E-02-4.80272338E-05 3
++1.48963904E-08-1.73201411E-12-1.79782876E+03+3.56787694E+01 4
+HC6H13 C 6H 13 G 300.00 5000.00 1397.00 1
++2.02634240E+01+2.67379786E-02-9.08984494E-06+1.40565477E-09-8.13342971E-14 2
+-8.27920571E+03-8.48427815E+01-2.36606554E+00+7.99561662E-02-5.68809640E-05 3
++2.09107562E-08-3.13360357E-12-4.88329998E+02+3.65109585E+01 4
+NEOC6H12 C 6H 12 G 300.00 5000.00 1398.00 1
++1.97012900E+01+2.49282969E-02-8.43267154E-06+1.29989939E-09-7.50557893E-14 2
+-1.69324896E+04-8.35619319E+01-3.56898987E+00+8.16665279E-02-6.15853251E-05 3
++2.40142734E-08-3.80041411E-12-9.14831349E+03+4.04711010E+01 4
+NEOC6H11 C 6H 11 G 300.00 5000.00 1397.00 1
++1.90679022E+01+2.29697448E-02-7.76782362E-06+1.19718933E-09-6.91168613E-14 2
++1.22301063E+04-7.79377125E+01-1.79052001E+00+7.31749968E-02-5.40628622E-05 3
++2.06333931E-08-3.19855898E-12+1.92749294E+04+3.34750987E+01 4
+FC6H13O2 C 6H 13O 2 G 300.00 5000.00 1392.00 1
++2.37102479E+01+2.91395292E-02-1.00597409E-05+1.57146927E-09-9.15628844E-14 2
+-2.73396885E+04-9.77395504E+01-5.61462407E-01+8.71883025E-02-6.44783024E-05 3
++2.53831095E-08-4.17008314E-12-1.89538664E+04+3.22894664E+01 4
+GC6H13O2 C 6H 13O 2 G 300.00 5000.00 1394.00 1
++2.45260573E+01+2.84490265E-02-9.82240119E-06+1.53453641E-09-8.94178441E-14 2
+-2.99457263E+04-1.04434731E+02-1.55556582E+00+9.34239086E-02-7.35777731E-05 3
++3.06853455E-08-5.27129458E-12-2.12144697E+04+3.43353231E+01 4
+HC6H13O2 C 6H 13O 2 G 300.00 5000.00 1392.00 1
++2.37102479E+01+2.91395292E-02-1.00597409E-05+1.57146927E-09-9.15628844E-14 2
+-2.73396885E+04-9.88366817E+01-5.61462407E-01+8.71883025E-02-6.44783024E-05 3
++2.53831095E-08-4.17008314E-12-1.89538664E+04+3.11923351E+01 4
+FC6H13O2H C 6H 14O 2 G 300.00 5000.00 1393.00 1
++2.61780187E+01+2.92966710E-02-1.01449987E-05+1.58819921E-09-9.26814265E-14 2
+-4.52565509E+04-1.12068421E+02-1.54811668E+00+9.61342900E-02-7.28115900E-05 3
++2.87722241E-08-4.67586340E-12-3.57994117E+04+3.61639856E+01 4
+GC6H13O2H C 6H 14O 2 G 300.00 5000.00 1395.00 1
++2.70339581E+01+2.86177672E-02-9.92190554E-06+1.55456810E-09-9.07725944E-14 2
+-4.79055155E+04-1.19056991E+02-2.64665027E+00+1.02572555E-01-8.19250167E-05 3
++3.39948331E-08-5.75016084E-12-3.80376188E+04+3.87456910E+01 4
+HC6H13O2H C 6H 14O 2 G 300.00 5000.00 1393.00 1
++2.61780187E+01+2.92966710E-02-1.01449987E-05+1.58819921E-09-9.26814265E-14 2
+-4.52565509E+04-1.13165553E+02-1.54811668E+00+9.61342900E-02-7.28115900E-05 3
++2.87722241E-08-4.67586340E-12-3.57994117E+04+3.50668542E+01 4
+FC6H13O C 6O 1H 13 G 300.00 5000.00 1398.00 1
++2.19506802E+01+2.78807846E-02-9.49093306E-06+1.46903638E-09-8.50580133E-14 2
+-2.56026061E+04-9.14107485E+01-3.49617824E+00+8.95274691E-02-6.70020157E-05 3
++2.60162991E-08-4.11801184E-12-1.70244357E+04+4.44082731E+01 4
+GC6H13O C 6O 1H 13 G 300.00 5000.00 1401.00 1
++2.22747766E+01+2.78536708E-02-9.53253346E-06+1.48052850E-09-8.59198553E-14 2
+-2.78595936E+04-9.52702910E+01-3.65643661E+00+9.24742447E-02-7.21714167E-05 3
++2.94468055E-08-4.90302426E-12-1.92676625E+04+4.25451451E+01 4
+HC6H13O C 6O 1H 13 G 300.00 5000.00 1398.00 1
++2.19506802E+01+2.78807846E-02-9.49093306E-06+1.46903638E-09-8.50580133E-14 2
+-2.56026061E+04-9.25078799E+01-3.49617824E+00+8.95274691E-02-6.70020157E-05 3
++2.60162991E-08-4.11801184E-12-1.70244357E+04+4.33111417E+01 4
+FC6H12OOH-F C 6H 13O 2 G 300.00 5000.00 1395.00 1
++2.52922337E+01+2.77042620E-02-9.54577539E-06+1.48939008E-09-8.67122763E-14 2
+-1.99561911E+04-1.04223594E+02-9.24323257E-01+9.23866483E-02-7.18599509E-05 3
++2.92825851E-08-4.89291230E-12-1.11678466E+04+3.54020321E+01 4
+FC6H12OOH-G C 6H 13O 2 G 300.00 5000.00 1388.00 1
++2.57676821E+01+2.62258001E-02-8.82270792E-06+1.35621249E-09-7.81931437E-14 2
+-2.15187960E+04-1.06366255E+02-8.40507959E-01+8.86249115E-02-6.40314147E-05 3
++2.32545792E-08-3.36436618E-12-1.24172814E+04+3.62616670E+01 4
+FC6H12OOH-H C 6H 13O 2 G 300.00 5000.00 1395.00 1
++2.52922337E+01+2.77042620E-02-9.54577539E-06+1.48939008E-09-8.67122763E-14 2
+-1.99561911E+04-1.04223594E+02-9.24323257E-01+9.23866483E-02-7.18599509E-05 3
++2.92825851E-08-4.89291230E-12-1.11678466E+04+3.54020321E+01 4
+GC6H12OOH-F C 6H 13O 2 G 300.00 5000.00 1397.00 1
++2.61512785E+01+2.70552398E-02-9.33998320E-06+1.45917190E-09-8.50304926E-14 2
+-2.26063259E+04-1.10138274E+02-1.72891922E+00+9.76204170E-02-7.92048197E-05 3
++3.34324323E-08-5.73579333E-12-1.34537694E+04+3.76906323E+01 4
+GC6H12OOH-H C 6H 13O 2 G 300.00 5000.00 1397.00 1
++2.61512785E+01+2.70552398E-02-9.33998320E-06+1.45917190E-09-8.50304926E-14 2
+-2.26063259E+04-1.11235406E+02-1.72891922E+00+9.76204170E-02-7.92048197E-05 3
++3.34324323E-08-5.73579333E-12-1.34537694E+04+3.65935010E+01 4
+HC6H12OOH-F C 6H 13O 2 G 300.00 5000.00 1393.00 1
++2.57548319E+01+2.71643102E-02-9.42176702E-06+1.47658143E-09-8.62334695E-14 2
+-2.01908878E+04-1.06940027E+02-7.73398133E-01+9.15430265E-02-7.02673913E-05 3
++2.80955433E-08-4.61063869E-12-1.11872062E+04+3.47327927E+01 4
+HC6H12OOH-G C 6H 13O 2 G 300.00 5000.00 1387.00 1
++2.59299895E+01+2.61680725E-02-8.90578623E-06+1.37926008E-09-7.99236377E-14 2
+-2.16345167E+04-1.08495716E+02-7.73208347E-01+8.82744110E-02-6.34256303E-05 3
++2.28594199E-08-3.28719066E-12-1.24263757E+04+3.48620048E+01 4
+FC6H12OOH-FO2 C 6O 4H 13 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+FC6H12OOH-GO2 C 6O 4H 13 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.27213422E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.44166306E+01 4
+FC6H12OOH-HO2 C 6O 4H 13 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+GC6H12OOH-FO2 C 6O 4H 13 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.27213422E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.44166306E+01 4
+GC6H12OOH-HO2 C 6O 4H 13 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.28310554E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.33194992E+01 4
+HC6H12OOH-FO2 C 6O 4H 13 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+HC6H12OOH-GO2 C 6O 4H 13 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.28310554E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.33194992E+01 4
+F-FC6H12O C 6H 12O 1 G 300.00 5000.00 1382.00 1
++2.13606068E+01+2.67542440E-02-9.13564452E-06+1.41838522E-09-8.23439338E-14 2
+-3.03537290E+04-9.34602434E+01-5.17796040E+00+8.84596282E-02-6.39932049E-05 3
++2.36822771E-08-3.57224758E-12-2.11228410E+04+4.91517984E+01 4
+F-GC6H12O C 6H 12O 1 G 300.00 5000.00 1385.00 1
++2.19623594E+01+2.62358857E-02-8.95513764E-06+1.39002454E-09-8.06848444E-14 2
+-3.27028757E+04-9.70643786E+01-5.82300835E+00+9.33632895E-02-7.17044682E-05 3
++2.84038503E-08-4.58865464E-12-2.32884902E+04+5.13560020E+01 4
+F-HC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++1.94772949E+01+2.91330961E-02-1.00192785E-05+1.56171623E-09-9.08729403E-14 2
+-4.00595084E+04-8.34254062E+01-6.61045443E+00+9.07933989E-02-6.66326370E-05 3
++2.56589087E-08-4.09582804E-12-3.10163489E+04+5.65223679E+01 4
+G-HC6H12O C 6H 12O 1 G 300.00 5000.00 1394.00 1
++2.14800220E+01+2.67940165E-02-9.25261115E-06+1.44571833E-09-8.42514010E-14 2
+-3.17561526E+04-9.36825135E+01-4.91627107E+00+9.49026173E-02-7.87767510E-05 3
++3.44682832E-08-6.14848032E-12-2.31482365E+04+4.59393130E+01 4
+NEOC6KETFF C 6O 3H 12 G 300.00 5000.00 1392.00 1
++2.72727672E+01+2.60688207E-02-9.08873182E-06+1.42942655E-09-8.36881939E-14 2
+-5.44834095E+04-1.13122106E+02-4.71979044E-01+9.28529398E-02-7.12975423E-05 3
++2.81125362E-08-4.51809303E-12-4.50454468E+04+3.51866878E+01 4
+NEOC6KETFG C 6O 3H 12 G 300.00 5000.00 1394.00 1
++2.81044778E+01+2.54001164E-02-8.86679190E-06+1.39572362E-09-8.17648161E-14 2
+-5.71123144E+04-1.18848431E+02-1.32156732E+00+9.82848291E-02-7.90144458E-05 3
++3.25064227E-08-5.41428630E-12-4.73239311E+04+3.76920843E+01 4
+NEOC6KETFH C 6O 3H 12 G 300.00 5000.00 1392.00 1
++2.72727672E+01+2.60688207E-02-9.08873182E-06+1.42942655E-09-8.36881939E-14 2
+-5.44834095E+04-1.13811588E+02-4.71979044E-01+9.28529398E-02-7.12975423E-05 3
++2.81125362E-08-4.51809303E-12-4.50454468E+04+3.44972062E+01 4
+NEOC6KETGF C 6O 3H 12 G 300.00 5000.00 1390.00 1
++2.69796423E+01+2.64361312E-02-9.24205406E-06+1.45616518E-09-8.53596902E-14 2
+-5.82452596E+04-1.12950519E+02-1.02131420E+00+9.33223611E-02-7.10872356E-05 3
++2.78235100E-08-4.44983402E-12-4.86532168E+04+3.69366766E+01 4
+NEOC6KETGH C 6O 3H 12 G 300.00 5000.00 1387.00 1
++2.68298718E+01+2.65743988E-02-9.29166512E-06+1.46406502E-09-8.58245747E-14 2
+-5.81942079E+04-1.12224196E+02+8.68698184E-01+8.73553612E-02-6.44754197E-05 3
++2.46810718E-08-3.90390558E-12-4.91297898E+04+2.72623041E+01 4
+NEOC6KETHF C 6O 3H 12 G 300.00 5000.00 1390.00 1
++2.69735434E+01+2.62533275E-02-9.13571109E-06+1.43492261E-09-8.39306598E-14 2
+-5.47961402E+04-1.11827333E+02+7.03565713E-01+9.02925836E-02-7.02592307E-05 3
++2.85722308E-08-4.77942427E-12-4.58809214E+04+2.84124478E+01 4
+NEOC6KETHG C 6O 3H 12 G 300.00 5000.00 1394.00 1
++2.81523897E+01+2.53352436E-02-8.83843442E-06+1.39062394E-09-8.14390345E-14 2
+-5.71374512E+04-1.19922325E+02-1.99397589E+00+1.02364749E-01-8.59063234E-05 3
++3.70316851E-08-6.44216262E-12-4.73177857E+04+3.96591886E+01 4
+NEOC6H12OH C 6O 1H 13 G 300.00 5000.00 1389.00 1
++2.24527821E+01+2.60793463E-02-8.68394492E-06+1.32560431E-09-7.60559598E-14 2
+-2.84231560E+04-9.18021258E+01-1.52567590E+00+8.02031847E-02-5.36232361E-05 3
++1.74712659E-08-2.16209092E-12-2.00526370E+04+3.74059561E+01 4
+NEOO2C6H12OH C 6O 3H 13 G 300.00 5000.00 1401.00 1
++2.55026585E+01+2.90372103E-02-9.86973534E-06+1.52576748E-09-8.82548203E-14 2
+-4.80167362E+04-1.03855843E+02+2.36309936E-01+9.25300019E-02-7.21544886E-05 3
++2.97296527E-08-5.01780844E-12-3.96815433E+04+3.02656735E+01 4
+TC4H9CHO H 10O 1C 5 G 300.00 5000.00 1396.00 1
++1.84056359E+01+2.15282423E-02-7.38655530E-06+1.14941999E-09-6.68003745E-14 2
+-3.84092887E+04-7.49886911E+01-1.75588233E+00+6.88741216E-02-4.97161071E-05 3
++1.82921650E-08-2.72056934E-12-3.14740629E+04+3.31334480E+01 4
+TC4H9CO O 1C 5H 9 G 300.00 5000.00 1397.00 1
++1.79864364E+01+1.94014364E-02-6.66715870E-06+1.03859646E-09-6.04064572E-14 2
+-1.94463168E+04-7.10669249E+01-9.77833363E-01+6.40573484E-02-4.66408868E-05 3
++1.72142682E-08-2.55681305E-12-1.29463546E+04+3.05727393E+01 4
+NEOC5H11CHO C 6H 12O 1 G 300.00 5000.00 1389.00 1
++2.18201927E+01+2.52377174E-02-8.54143105E-06+1.31748241E-09-7.61162071E-14 2
+-4.30014287E+04-9.04886577E+01-8.55055790E-01+7.84141706E-02-5.61118726E-05 3
++2.06552815E-08-3.09316611E-12-3.51846120E+04+3.11579584E+01 4
+NEOC5H11CO C 6O 1H 11 G 300.00 5000.00 1389.00 1
++2.14212795E+01+2.30660325E-02-7.80141198E-06+1.20297700E-09-6.94913508E-14 2
+-2.40435967E+04-8.66726580E+01-7.52080307E-02+7.36039955E-02-5.30639735E-05 3
++1.95915376E-08-2.93137730E-12-1.66575190E+04+2.85861268E+01 4
+TC4H9CHCHO C 6O 1H 11 G 300.00 5000.00 1396.00 1
++2.14752890E+01+2.36014241E-02-8.10397528E-06+1.26166539E-09-7.33474247E-14 2
+-2.27119417E+04-8.90752242E+01-1.31262503E+00+7.86201120E-02-5.92909129E-05 3
++2.30755955E-08-3.65696322E-12-1.50035752E+04+3.26318784E+01 4
+TC4H8CH2CHO C 6O 1H 11 G 300.00 5000.00 1389.00 1
++2.14180044E+01+2.30596274E-02-7.79730044E-06+1.20214639E-09-6.94356131E-14 2
+-1.79408139E+04-8.54690188E+01-6.56574366E-02+7.37823389E-02-5.35327810E-05 3
++1.99576223E-08-3.02272389E-12-1.05752494E+04+2.96538454E+01 4
+IC4H7CHO O 1H 8C 5 G 300.00 5000.00 1389.00 1
++1.54855457E+01+1.95046502E-02-6.72217668E-06+1.04894682E-09-6.10722450E-14 2
+-2.09191675E+04-5.37964397E+01+7.35614389E-01+5.25913841E-02-3.51785603E-05 3
++1.23024544E-08-1.79751073E-12-1.56061967E+04+2.59957375E+01 4
+IC4H7CO O 1C 5H 7 G 300.00 5000.00 1389.00 1
++1.50719878E+01+1.73699154E-02-5.99945908E-06+9.37552201E-10-5.46431990E-14 2
+-1.95861047E+03-4.99069151E+01+1.51384222E+00+4.77704979E-02-3.20899057E-05 3
++1.12121124E-08-1.63036012E-12+2.92154531E+03+2.34347421E+01 4
+AC3H4CH2CHO O 1C 5H 7 G 300.00 5000.00 1390.00 1
++1.64194720E+01+1.64616603E-02-5.73985444E-06+9.02736216E-10-5.28504586E-14 2
+-2.92593174E+03-5.92282775E+01-1.83421579E-01+5.69425872E-02-4.44368280E-05 3
++1.81316803E-08-3.04488510E-12+2.71337433E+03+2.94114305E+01 4
+IC3H5CHCHO O 1C 5H 7 G 300.00 5000.00 1384.00 1
++1.55879026E+01+1.72145243E-02-6.01031631E-06+9.46110380E-10-5.54239488E-14 2
+-4.07176338E+03-5.58106280E+01+4.50097887E-01+5.06462097E-02-3.39761191E-05 3
++1.15595445E-08-1.60919494E-12+1.41572991E+03+2.62377323E+01 4
+IC5H11CHO-B C 6H 12O 1 G 300.00 5000.00 1396.00 1
++2.15744130E+01+2.60224049E-02-8.92999252E-06+1.38968429E-09-8.07654716E-14 2
+-4.25078380E+04-8.94841933E+01-1.95086598E+00+8.09362173E-02-5.77563918E-05 3
++2.10785001E-08-3.12058559E-12-3.43674601E+04+3.68195576E+01 4
+IC5H11CO-B C 6O 1H 11 G 300.00 5000.00 1396.00 1
++2.11552282E+01+2.38954402E-02-8.21051273E-06+1.27884511E-09-7.43705452E-14 2
+-2.35448009E+04-8.55623232E+01-1.17119594E+00+7.61129814E-02-5.46721040E-05 3
++1.99951316E-08-2.95563643E-12-1.58400178E+04+3.42511825E+01 4
+IC5H10CHO-BA C 6O 1H 11 G 300.00 5000.00 1396.00 1
++2.10828109E+01+2.39475767E-02-8.22615238E-06+1.28102048E-09-7.44857694E-14 2
+-1.74086872E+04-8.39476135E+01-1.09037068E+00+7.60101055E-02-5.48702030E-05 3
++2.02628794E-08-3.03569892E-12-9.76870215E+03+3.49854667E+01 4
+IC5H10CHO-BC C 6O 1H 11 G 300.00 5000.00 1384.00 1
++2.14679298E+01+2.27371253E-02-7.63568527E-06+1.17255087E-09-6.75621859E-14 2
+-1.89598128E+04-8.56463855E+01-8.06006524E-01+7.13874348E-02-4.57221361E-05 3
++1.34800661E-08-1.35739169E-12-1.10499018E+04+3.49068663E+01 4
+IC5H10CHO-BD C 6O 1H 11 G 300.00 5000.00 1396.00 1
++2.10828109E+01+2.39475767E-02-8.22615238E-06+1.28102048E-09-7.44857694E-14 2
+-1.74086872E+04-8.39476135E+01-1.09037068E+00+7.60101055E-02-5.48702030E-05 3
++2.02628794E-08-3.03569892E-12-9.76870215E+03+3.49854667E+01 4
+C4H7CHO1-2 O 1H 8C 5 G 300.00 5000.00 1396.00 1
++1.70314021E+01+1.79985814E-02-6.16116444E-06+9.57152360E-10-5.55594577E-14 2
+-2.41225113E+04-6.41440981E+01-6.61811876E-01+6.32800894E-02-5.16238022E-05 3
++2.20783756E-08-3.84261100E-12-1.83560139E+04+2.95070519E+01 4
+C4H7CO1-2 O 1C 5H 7 G 300.00 5000.00 1397.00 1
++1.64651768E+01+1.59062251E-02-5.43230323E-06+8.42521096E-10-4.88461570E-14 2
+-7.98516509E+03-6.03394256E+01+5.78897418E-01+5.84282121E-02-5.03642354E-05 3
++2.27849982E-08-4.15814487E-12-2.97157417E+03+2.31234279E+01 4
+C4H6CHO1-23 O 1C 5H 7 G 300.00 5000.00 1393.00 1
++1.70700605E+01+1.58429731E-02-5.51236151E-06+8.65805032E-10-5.06440128E-14 2
+-7.26250822E+03-6.58289198E+01-9.31628556E-01+6.12341022E-02-5.02868148E-05 3
++2.13004977E-08-3.65759355E-12-1.33540534E+03+2.96839881E+01 4
+C4H6CHO1-24 O 1C 5H 7 G 300.00 5000.00 1396.00 1
++1.65787886E+01+1.59193750E-02-5.46203212E-06+8.49860281E-10-4.93850669E-14 2
++9.53024381E+02-5.88586589E+01+1.38121554E-01+5.86072858E-02-4.90075315E-05 3
++2.13914653E-08-3.78147426E-12+6.25168344E+03+2.79483683E+01 4
+C4H7CHO2-2 O 1H 8C 5 G 300.00 5000.00 1373.00 1
++1.85742205E+01+1.76938836E-02-6.28424851E-06+1.00058128E-09-5.90822128E-14 2
+-2.83855697E+04-6.41544390E+01+6.15935992E-01+5.51334615E-02-3.47129984E-05 3
++1.02579326E-08-1.13256581E-12-2.16677843E+04+3.39479618E+01 4
+C4H7CO2-2 O 1C 5H 7 G 300.00 5000.00 1374.00 1
++1.80523043E+01+1.55168113E-02-5.51619574E-06+8.78829645E-10-5.19148464E-14 2
+-1.22598579E+04-6.05879823E+01+1.78033270E+00+5.05901427E-02-3.38410622E-05 3
++1.11462050E-08-1.47665417E-12-6.27122730E+03+2.79228200E+01 4
+C4H6CHO2-21 O 1C 5H 7 G 300.00 5000.00 1375.00 1
++2.00498672E+01+1.39851005E-02-5.02791277E-06+8.07075446E-10-4.79266025E-14 2
+-1.05938864E+04-7.26722565E+01-7.65559619E-01+6.09311778E-02-4.44935207E-05 3
++1.54896947E-08-2.08729427E-12-3.26896739E+03+3.96002309E+01 4
+C4H6CHO2-24 O 1C 5H 7 G 300.00 5000.00 1375.00 1
++2.00498672E+01+1.39851005E-02-5.02791277E-06+8.07075446E-10-4.79266025E-14 2
+-1.05938864E+04-7.26722565E+01-7.65559619E-01+6.09311778E-02-4.44935207E-05 3
++1.54896947E-08-2.08729427E-12-3.26896739E+03+3.96002309E+01 4
+CH2CCHCH3 H 6C 4 G 300.00 5000.00 1381.00 1
++1.08905899E+01+1.41994372E-02-4.92125565E-06+7.70807110E-10-4.49953094E-14 2
++2.14369382E+03-4.35429426E+01+1.47976771E+00+3.29482486E-02-1.83137798E-05 3
++4.76168299E-09-4.43886261E-13+5.79099825E+03+8.24035164E+00 4
+TC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1393.00 1
++2.11627268E+01+2.65726365E-02-9.16335571E-06+1.43058385E-09-8.33259468E-14 2
+-4.62269052E+04-8.79567628E+01-2.35641565E+00+8.09105638E-02-5.70901384E-05 3
++2.06789814E-08-3.05872867E-12-3.79999022E+04+3.85681263E+01 4
+TC4H9COCH2 C 6O 1H 11 G 300.00 5000.00 1395.00 1
++2.17668106E+01+2.36161495E-02-8.16684421E-06+1.27747930E-09-7.45104835E-14 2
+-2.48661491E+04-9.17111915E+01-2.76756040E+00+8.39187118E-02-6.56654850E-05 3
++2.65177439E-08-4.35600571E-12-1.66578112E+04+3.89719794E+01 4
+TC4H8COCH3 C 6O 1H 11 G 300.00 5000.00 1393.00 1
++2.07384786E+01+2.44442931E-02-8.44209095E-06+1.31932525E-09-7.69007570E-14 2
+-2.11608509E+04-8.28281002E+01-1.56934402E+00+7.62576905E-02-5.44391068E-05 3
++1.99294063E-08-2.97631443E-12-1.33894493E+04+3.70757484E+01 4
+CH2CCHO H 3O 1C 3 G 300.00 5000.00 1390.00 1
++9.78111516E+00+7.50969243E-03-2.61556340E-06+4.11046955E-10-2.40514603E-14 2
++1.42055163E+04-2.50656489E+01+1.99806192E+00+2.72342740E-02-2.24050331E-05 3
++9.68257238E-09-1.71138082E-12+1.67830831E+04+1.62359919E+01 4
+IC3H6CHCHO O 1H 8C 5 G 300.00 5000.00 1390.00 1
++1.63675823E+01+1.87451250E-02-6.45819146E-06+1.00755791E-09-5.86556682E-14 2
+-2.62213524E+04-6.09272424E+01+9.93060772E-01+5.49646074E-02-3.97614860E-05 3
++1.52758656E-08-2.45467180E-12-2.08566834E+04+2.16296532E+01 4
+IC3H6CHCO O 1C 5H 7 G 300.00 5000.00 1391.00 1
++1.58085413E+01+1.66403790E-02-5.72382460E-06+8.91951253E-10-5.18812580E-14 2
+-1.00869837E+04-5.71631569E+01+2.23189681E+00+5.01107112E-02-3.84870329E-05 3
++1.59662893E-08-2.76546877E-12-5.47169716E+03+1.52567763E+01 4
+AC3H5CHCHO O 1C 5H 7 G 300.00 5000.00 1390.00 1
++1.72875644E+01+1.57675234E-02-5.51022766E-06+8.67936068E-10-5.08670021E-14 2
+-8.24598860E+03-6.63266554E+01+1.73821731E-01+5.86562259E-02-4.78711610E-05 3
++2.03690778E-08-3.54093615E-12-2.54631956E+03+2.46335643E+01 4
+AC5H9-A1 C 5H 9 G 300.00 5000.00 1392.00 1
++1.44275954E+01+2.01413496E-02-6.88263565E-06+1.06773206E-09-6.19095750E-14 2
++1.83186525E+04-5.04444624E+01+6.77646626E-01+5.16740674E-02-3.50126996E-05 3
++1.27627348E-08-1.97452225E-12+2.32215852E+04+2.37248103E+01 4
+NEOC7H16 C 7H 16 G 300.00 5000.00 1397.00 1
++2.39323172E+01+3.31782362E-02-1.12668494E-05+1.74099807E-09-1.00684665E-13 2
+-3.74498789E+04-1.05938832E+02-3.45771037E+00+9.72014646E-02-6.83249164E-05 3
++2.48220102E-08-3.67746004E-12-2.79771408E+04+4.10888515E+01 4
+NC7H15 H 15C 7 G 300.00 5000.00 1397.00 1
++2.35128171E+01+3.10371540E-02-1.05393955E-05+1.62859656E-09-9.41860827E-14 2
+-1.23839746E+04-9.97354960E+01-2.68778642E+00+9.26426584E-02-6.58335470E-05 3
++2.41758097E-08-3.61820834E-12-3.36453908E+03+4.07694885E+01 4
+OC7H15 H 15C 7 G 300.00 5000.00 1390.00 1
++2.33667406E+01+3.07319555E-02-1.03508107E-05+1.59137519E-09-9.17310563E-14 2
+-1.37695377E+04-9.96212012E+01-2.19681832E+00+8.73134079E-02-5.63690703E-05 3
++1.77635552E-08-2.12899352E-12-4.67937082E+03+3.86153467E+01 4
+PC7H15 H 15C 7 G 300.00 5000.00 1390.00 1
++2.33667406E+01+3.07319555E-02-1.03508107E-05+1.59137519E-09-9.17310563E-14 2
+-1.37695377E+04-9.96212012E+01-2.19681832E+00+8.73134079E-02-5.63690703E-05 3
++1.77635552E-08-2.12899352E-12-4.67937082E+03+3.86153467E+01 4
+QC7H15 H 15C 7 G 300.00 5000.00 1397.00 1
++2.35128171E+01+3.10371540E-02-1.05393955E-05+1.62859656E-09-9.41860827E-14 2
+-1.23839746E+04-1.00832627E+02-2.68778642E+00+9.26426584E-02-6.58335470E-05 3
++2.41758097E-08-3.61820834E-12-3.36453908E+03+3.96723571E+01 4
+OC7H14 C 7H 14 G 300.00 5000.00 1395.00 1
++2.24887015E+01+2.96738400E-02-1.00479879E-05+1.54993215E-09-8.95338318E-14 2
+-2.23998822E+04-9.74394979E+01-3.31532000E+00+9.05539714E-02-6.48360116E-05 3
++2.39274057E-08-3.58919418E-12-1.35509173E+04+4.08439338E+01 4
+PC7H14 C 7H 14 G 300.00 5000.00 1398.00 1
++2.28180567E+01+2.94777078E-02-9.99646834E-06+1.54338994E-09-8.92080381E-14 2
+-2.15138751E+04-9.88510108E+01-3.81851414E+00+9.39380534E-02-6.99390936E-05 3
++2.69897745E-08-4.23959224E-12-1.25406477E+04+4.33207277E+01 4
+OC7H13-N C 7H 13 G 300.00 5000.00 1395.00 1
++2.20750395E+01+2.75256463E-02-9.31780257E-06+1.43709007E-09-8.30094636E-14 2
++2.62318023E+03-9.12695756E+01-2.54216855E+00+8.59862780E-02-6.23331815E-05 3
++2.32747106E-08-3.52870696E-12+1.10207665E+04+4.05083770E+01 4
+PC7H13-N C 7H 13 G 300.00 5000.00 1399.00 1
++2.24002497E+01+2.73317458E-02-9.26655367E-06+1.43052195E-09-8.26789137E-14 2
++3.51247952E+03-9.26502255E+01-3.09705753E+00+8.95950899E-02-6.77627545E-05 3
++2.65306123E-08-4.21967399E-12+1.20389816E+04+4.32306185E+01 4
+PC7H13-O C 7H 13 G 300.00 5000.00 1399.00 1
++2.24239478E+01+2.77773712E-02-9.43034332E-06+1.45721528E-09-8.42812364E-14 2
+-4.46272573E+03-9.79639287E+01-4.14452445E+00+9.22987225E-02-6.95252835E-05 3
++2.69504089E-08-4.23040646E-12+4.44515847E+03+4.37314430E+01 4
+PC7H13O-O O 1C 7H 13 G 300.00 5000.00 1398.00 1
++2.70665020E+01+2.54409611E-02-8.53248547E-06+1.30919024E-09-7.53950497E-14 2
+-1.64143986E+04-1.18716143E+02-4.66019213E+00+1.04558207E-01-8.37076856E-05 3
++3.35735802E-08-5.34053845E-12-6.09495634E+03+4.95722813E+01 4
+NC7H15O2 H 15C 7O 2 G 300.00 5000.00 1392.00 1
++2.68728540E+01+3.36470348E-02-1.16095500E-05+1.81291039E-09-1.05603810E-13 2
+-3.14367980E+04-1.13299239E+02-7.28733137E-01+9.91363594E-02-7.23619912E-05 3
++2.80830549E-08-4.55317178E-12-2.18516784E+04+3.47483179E+01 4
+OC7H15O2 H 15C 7O 2 G 300.00 5000.00 1394.00 1
++2.77264744E+01+3.29353264E-02-1.13674121E-05+1.77549892E-09-1.03442100E-13 2
+-3.40651164E+04-1.19539251E+02-1.73310415E+00+1.05358715E-01-8.13190924E-05 3
++3.32489557E-08-5.61789246E-12-2.41096371E+04+3.75409119E+01 4
+PC7H15O2 H 15C 7O 2 G 300.00 5000.00 1394.00 1
++2.77264744E+01+3.29353264E-02-1.13674121E-05+1.77549892E-09-1.03442100E-13 2
+-3.40651164E+04-1.19539251E+02-1.73310415E+00+1.05358715E-01-8.13190924E-05 3
++3.32489557E-08-5.61789246E-12-2.41096371E+04+3.75409119E+01 4
+QC7H15O2 H 15C 7O 2 G 300.00 5000.00 1392.00 1
++2.68728540E+01+3.36470348E-02-1.16095500E-05+1.81291039E-09-1.05603810E-13 2
+-3.14367980E+04-1.14396370E+02-7.28733137E-01+9.91363594E-02-7.23619912E-05 3
++2.80830549E-08-4.55317178E-12-2.18516784E+04+3.36511866E+01 4
+NC7H15O2H C 7O 2H 16 G 300.00 5000.00 1393.00 1
++2.93521507E+01+3.37808675E-02-1.16838691E-05+1.82763853E-09-1.06594118E-13 2
+-4.93567184E+04-1.27690246E+02-1.75784767E+00+1.08260149E-01-8.09423379E-05 3
++3.16099898E-08-5.08629553E-12-3.86905437E+04+3.88215641E+01 4
+OC7H15O2H C 7O 2H 16 G 300.00 5000.00 1395.00 1
++3.02387000E+01+3.30982482E-02-1.14644388E-05+1.79509521E-09-1.04769542E-13 2
+-5.20241289E+04-1.34180355E+02-2.77503359E+00+1.14327505E-01-8.94180785E-05 3
++3.64099346E-08-6.06461062E-12-4.09413628E+04+4.17150529E+01 4
+PC7H15O2H C 7O 2H 16 G 300.00 5000.00 1395.00 1
++3.02387000E+01+3.30982482E-02-1.14644388E-05+1.79509521E-09-1.04769542E-13 2
+-5.20241289E+04-1.34180355E+02-2.77503359E+00+1.14327505E-01-8.94180785E-05 3
++3.64099346E-08-6.06461062E-12-4.09413628E+04+4.17150529E+01 4
+QC7H15O2H C 7O 2H 16 G 300.00 5000.00 1393.00 1
++2.93521507E+01+3.37808675E-02-1.16838691E-05+1.82763853E-09-1.06594118E-13 2
+-4.93567184E+04-1.28787377E+02-1.75784767E+00+1.08260149E-01-8.09423379E-05 3
++3.16099898E-08-5.08629553E-12-3.86905437E+04+3.77244327E+01 4
+NC7H15O H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.54093151E+01+3.21284629E-02-1.09485520E-05+1.69576547E-09-9.82275796E-14 2
+-2.96013576E+04-1.08338626E+02-2.77832151E+00+9.97392862E-02-7.33744577E-05 3
++2.80807810E-08-4.39620206E-12-2.00154366E+04+4.23755436E+01 4
+OC7H15O H 15O 1C 7 G 300.00 5000.00 1401.00 1
++2.60236775E+01+3.15366168E-02-1.07286791E-05+1.65979066E-09-9.60653992E-14 2
+-3.19294066E+04-1.13054460E+02-3.30243672E+00+1.04181670E-01-8.03713303E-05 3
++3.22855774E-08-5.28010335E-12-2.22019925E+04+4.29036712E+01 4
+PC7H15O H 15O 1C 7 G 300.00 5000.00 1401.00 1
++2.60236775E+01+3.15366168E-02-1.07286791E-05+1.65979066E-09-9.60653992E-14 2
+-3.19294066E+04-1.13054460E+02-3.30243672E+00+1.04181670E-01-8.03713303E-05 3
++3.22855774E-08-5.28010335E-12-2.22019925E+04+4.29036712E+01 4
+QC7H15O H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.54093151E+01+3.21284629E-02-1.09485520E-05+1.69576547E-09-9.82275796E-14 2
+-2.96013576E+04-1.09435758E+02-2.77832151E+00+9.97392862E-02-7.33744577E-05 3
++2.80807810E-08-4.39620206E-12-2.00154366E+04+4.12784122E+01 4
+NC7H14OOH-N2 H 15C 7O 2 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+NC7H14OOH-Q H 15C 7O 2 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+QC7H14OOH-N H 15C 7O 2 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+NC7H14OOH-O H 15C 7O 2 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.22986116E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.90198621E+01 4
+NC7H14OOH-P H 15C 7O 2 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.22986116E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.90198621E+01 4
+QC7H14OOH-O H 15C 7O 2 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.24083247E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.79227307E+01 4
+QC7H14OOH-P H 15C 7O 2 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.24083247E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.79227307E+01 4
+OC7H14OOH-N H 15C 7O 2 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.27963837E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+4.09009382E+01 4
+OC7H14OOH-Q H 15C 7O 2 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.29060969E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+3.98038069E+01 4
+PC7H14OOH-N H 15C 7O 2 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.27963837E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+4.09009382E+01 4
+PC7H14OOH-Q H 15C 7O 2 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.29060969E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+3.98038069E+01 4
+OC7H14OOH-P H 15C 7O 2 G 300.00 5000.00 1394.00 1
++2.92450713E+01+3.08880713E-02-1.05942735E-05+1.64837346E-09-9.57957646E-14 2
+-2.80619210E+04-1.25169499E+02-1.41799956E+00+1.04568281E-01-7.86140205E-05 3
++3.03404784E-08-4.75444343E-12-1.76696497E+04+3.86982849E+01 4
+PC7H14OOH-O H 15C 7O 2 G 300.00 5000.00 1394.00 1
++2.92450713E+01+3.08880713E-02-1.05942735E-05+1.64837346E-09-9.57957646E-14 2
+-2.80619210E+04-1.25169499E+02-1.41799956E+00+1.04568281E-01-7.86140205E-05 3
++3.03404784E-08-4.75444343E-12-1.76696497E+04+3.86982849E+01 4
+NC7H14OOH-N2O2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+NC7H14OOH-QO2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+QC7H14OOH-NO2 O 4H 15C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+NC7H14OOH-OO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+NC7H14OOH-PO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+QC7H14OOH-OO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+QC7H14OOH-PO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+OC7H14OOH-NO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+OC7H14OOH-QO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+PC7H14OOH-NO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+PC7H14OOH-QO2 O 4H 15C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+OC7H14OOH-PO2 O 4H 15C 7 G 300.00 5000.00 1394.00 1
++3.41658876E+01+3.20899159E-02-1.11621899E-05+1.75269953E-09-1.02495642E-13 2
+-4.85525949E+04-1.48177080E+02-9.41322525E-01+1.22171301E-01-1.02238990E-04 3
++4.45090859E-08-7.86260380E-12-3.70934069E+04+3.76338478E+01 4
+PC7H14OOH-OO2 O 4H 15C 7 G 300.00 5000.00 1394.00 1
++3.41658876E+01+3.20899159E-02-1.11621899E-05+1.75269953E-09-1.02495642E-13 2
+-4.85525949E+04-1.48177080E+02-9.41322525E-01+1.22171301E-01-1.02238990E-04 3
++4.45090859E-08-7.86260380E-12-3.70934069E+04+3.76338478E+01 4
+N-NC7H14O O 1C 7H 14 G 300.00 5000.00 1400.00 1
++2.39600679E+01+3.17081086E-02-1.08164227E-05+1.67667029E-09-9.71835390E-14 2
+-3.45659120E+04-1.04939163E+02-6.64556919E+00+1.05373799E-01-7.86000298E-05 3
++3.00019846E-08-4.62526286E-12-2.42440028E+04+5.85115505E+01 4
+N-OC7H14O O 1C 7H 14 G 300.00 5000.00 1403.00 1
++2.43151704E+01+3.16174221E-02-1.08281769E-05+1.68270448E-09-9.76960406E-14 2
+-3.68325348E+04-1.07182683E+02-6.88548949E+00+1.08579332E-01-8.40343676E-05 3
++3.35223797E-08-5.41637633E-12-2.64728135E+04+5.88227619E+01 4
+N-PC7H14O O 1C 7H 14 G 300.00 5000.00 1404.00 1
++2.37190457E+01+3.25359249E-02-1.11428469E-05+1.73164426E-09-1.00539964E-13 2
+-4.69289195E+04-1.05401457E+02-8.73257940E+00+1.12421736E-01-8.68300991E-05 3
++3.44618642E-08-5.52956293E-12-3.61505130E+04+6.72956667E+01 4
+N-QC7H14O O 1C 7H 14 G 300.00 5000.00 1397.00 1
++2.40542367E+01+3.28073531E-02-1.12698568E-05+1.75528559E-09-1.02081564E-13 2
+-4.72826253E+04-1.12376038E+02-9.12518292E+00+1.11346644E-01-8.19466828E-05 3
++3.04982244E-08-4.55784793E-12-3.59660844E+04+6.52806220E+01 4
+O-PC7H14O O 1C 7H 14 G 300.00 5000.00 1398.00 1
++2.61457730E+01+3.00656365E-02-1.03865590E-05+1.62345095E-09-9.46351931E-14 2
+-3.86506110E+04-1.17342428E+02-7.26493374E+00+1.17328751E-01-9.97836089E-05 3
++4.38867593E-08-7.77582618E-12-2.79523946E+04+5.88532585E+01 4
+O-QC7H14O O 1C 7H 14 G 300.00 5000.00 1403.00 1
++2.43151704E+01+3.16174221E-02-1.08281769E-05+1.68270448E-09-9.76960406E-14 2
+-3.68325348E+04-1.08279814E+02-6.88548949E+00+1.08579332E-01-8.40343676E-05 3
++3.35223797E-08-5.41637633E-12-2.64728135E+04+5.77256306E+01 4
+P-QC7H14O O 1C 7H 14 G 300.00 5000.00 1400.00 1
++2.50907857E+01+3.06905327E-02-1.05420446E-05+1.64145811E-09-9.54300621E-14 2
+-3.60399349E+04-1.10921777E+02-5.62328324E+00+1.07683674E-01-8.55683853E-05 3
++3.52779432E-08-5.90642018E-12-2.59233241E+04+5.21280458E+01 4
+NEOC7KETNN O 3C 7H 14 G 300.00 5000.00 1392.00 1
++3.04363674E+01+3.05740963E-02-1.06374577E-05+1.67066538E-09-9.77159817E-14 2
+-5.85808672E+04-1.28687459E+02-6.52899263E-01+1.04858118E-01-7.92632421E-05 3
++3.08611561E-08-4.91150022E-12-4.79410948E+04+3.77095134E+01 4
+NEOC7KETNO O 3C 7H 14 G 300.00 5000.00 1394.00 1
++3.13169138E+01+2.98796239E-02-1.04102037E-05+1.63651310E-09-9.57820698E-14 2
+-6.12367932E+04-1.34712826E+02-1.50295813E+00+1.10252951E-01-8.67924112E-05 3
++3.50861794E-08-5.76350539E-12-5.02191376E+04+4.02216997E+01 4
+NEOC7KETNP O 3C 7H 14 G 300.00 5000.00 1394.00 1
++3.13169138E+01+2.98796239E-02-1.04102037E-05+1.63651310E-09-9.57820698E-14 2
+-6.12367932E+04-1.34712826E+02-1.50295813E+00+1.10252951E-01-8.67924112E-05 3
++3.50861794E-08-5.76350539E-12-5.02191376E+04+4.02216997E+01 4
+NEOC7KETNQ O 3C 7H 14 G 300.00 5000.00 1392.00 1
++3.04363674E+01+3.05740963E-02-1.06374577E-05+1.67066538E-09-9.77159817E-14 2
+-5.85808672E+04-1.29376940E+02-6.52899263E-01+1.04858118E-01-7.92632421E-05 3
++3.08611561E-08-4.91150022E-12-4.79410948E+04+3.70200318E+01 4
+NEOC7KETON O 3C 7H 14 G 300.00 5000.00 1389.00 1
++3.00066367E+01+3.10290360E-02-1.08137527E-05+1.70015598E-09-9.95114830E-14 2
+-6.23640317E+04-1.27368194E+02-7.58791231E-01+1.05656987E-01-8.17393925E-05 3
++3.30983517E-08-5.52539152E-12-5.18729316E+04+3.70237395E+01 4
+NEOC7KETOP O 3C 7H 14 G 300.00 5000.00 1393.00 1
++3.12785929E+01+3.00300393E-02-1.04882218E-05+1.65141609E-09-9.67601581E-14 2
+-6.47357356E+04-1.35991140E+02-3.94519008E+00+1.20144570E-01-1.01041263E-04 3
++4.38155686E-08-7.68280619E-12-5.32433395E+04+5.04791088E+01 4
+NEOC7KETOQ O 3C 7H 14 G 300.00 5000.00 1389.00 1
++3.00066367E+01+3.10290360E-02-1.08137527E-05+1.70015598E-09-9.95114830E-14 2
+-6.23640317E+04-1.28465326E+02-7.58791231E-01+1.05656987E-01-8.17393925E-05 3
++3.30983517E-08-5.52539152E-12-5.18729316E+04+3.59266082E+01 4
+NEOC7KETPN O 3C 7H 14 G 300.00 5000.00 1389.00 1
++2.98298481E+01+3.11235100E-02-1.08337221E-05+1.70193502E-09-9.95601835E-14 2
+-6.27049883E+04-1.26435085E+02+1.76054692E-01+1.01875835E-01-7.67132395E-05 3
++3.02332775E-08-4.92923263E-12-5.24755649E+04+3.24342096E+01 4
+NEOC7KETPO O 3C 7H 14 G 300.00 5000.00 1393.00 1
++3.10581541E+01+3.01730386E-02-1.05274448E-05+1.65646084E-09-9.70094959E-14 2
+-6.50681614E+04-1.34824216E+02-2.84703848E+00+1.15472318E-01-9.46242645E-05 3
++4.00848127E-08-6.89706377E-12-5.38657225E+04+4.51702654E+01 4
+NEOC7KETPQ O 3C 7H 14 G 300.00 5000.00 1386.00 1
++2.96622953E+01+3.13109805E-02-1.09077520E-05+1.71441381E-09-1.00322469E-13 2
+-6.25947525E+04-1.25627477E+02+2.01966983E+00+9.61029959E-02-7.04073402E-05 3
++2.73091890E-08-4.43801703E-12-5.28842448E+04+2.29780770E+01 4
+NEOC7KETQN O 3C 7H 14 G 300.00 5000.00 1390.00 1
++3.01443416E+01+3.07430133E-02-1.06770034E-05+1.67479029E-09-9.78701861E-14 2
+-5.88951869E+04-1.27430987E+02+4.93120773E-01+1.02416423E-01-7.83826197E-05 3
++3.14041406E-08-5.18834716E-12-4.87718048E+04+3.10744181E+01 4
+NEOC7KETQO O 3C 7H 14 G 300.00 5000.00 1392.00 1
++3.06826803E+01+3.03040962E-02-1.05291370E-05+1.65203675E-09-9.65572652E-14 2
+-6.13669869E+04-1.31781471E+02+2.36801917E-01+1.05582764E-01-8.35235844E-05 3
++3.45517069E-08-5.86070961E-12-5.11468769E+04+3.03635045E+01 4
+NEOC7KETQP O 3C 7H 14 G 300.00 5000.00 1394.00 1
++3.13039066E+01+2.98616170E-02-1.03968083E-05+1.63361345E-09-9.55785901E-14 2
+-6.12347357E+04-1.35428490E+02-2.15420388E+00+1.14230320E-01-9.36459269E-05 3
++3.96435491E-08-6.80697553E-12-5.02151388E+04+4.20968444E+01 4
+OC7H14OH H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.55348915E+01+3.09583295E-02-1.04138045E-05+1.59942150E-09-9.21207426E-14 2
+-3.45726057E+04-1.07043495E+02-2.21939081E+00+9.68557297E-02-6.98444794E-05 3
++2.57897333E-08-3.83913004E-12-2.51387156E+04+4.14730991E+01 4
+PC7H14OH H 15O 1C 7 G 300.00 5000.00 1388.00 1
++2.57545373E+01+3.02484467E-02-1.00728739E-05+1.53768192E-09-8.82256412E-14 2
+-3.25834547E+04-1.08073692E+02-1.73709867E+00+9.23353939E-02-6.17685161E-05 3
++2.02322741E-08-2.53496760E-12-2.29785135E+04+4.00725304E+01 4
+OO2C7H14OH O 3H 15C 7 G 300.00 5000.00 1401.00 1
++2.95980400E+01+3.29031991E-02-1.12314204E-05+1.74128566E-09-1.00925258E-13 2
+-5.46609793E+04-1.25087278E+02-6.52879010E-01+1.09302940E-01-8.65393673E-05 3
++3.59824774E-08-6.10465262E-12-4.47271131E+04+3.53461160E+01 4
+PO2C7H14OH O 3H 15C 7 G 300.00 5000.00 1400.00 1
++2.86706009E+01+3.35327324E-02-1.14137700E-05+1.76613725E-09-1.02226516E-13 2
+-5.21500864E+04-1.19443511E+02+4.68558572E-02+1.04569768E-01-8.01634840E-05 3
++3.24976654E-08-5.41396284E-12-4.26110678E+04+3.28285675E+01 4
+IC8H18 C 8H 18 G 300.00 5000.00 1396.00 1
++2.71373590E+01+3.79004890E-02-1.29437358E-05+2.00760372E-09-1.16400580E-13 2
+-4.07958177E+04-1.23277495E+02-4.20868893E+00+1.11440581E-01-7.91346582E-05 3
++2.92406242E-08-4.43743191E-12-2.99446875E+04+4.49521701E+01 4
+AC8H17 C 8H 17 G 300.00 5000.00 1396.00 1
++2.67069782E+01+3.57660601E-02-1.22178704E-05+1.89536630E-09-1.09907843E-13 2
+-1.57229692E+04-1.17001113E+02-3.41944741E+00+1.06803189E-01-7.65411563E-05 3
++2.85341682E-08-4.36478649E-12-5.33514196E+03+4.45471727E+01 4
+BC8H17 C 8H 17 G 300.00 5000.00 1393.00 1
++2.64569179E+01+3.55420752E-02-1.20520984E-05+1.86089357E-09-1.07571894E-13 2
+-1.70392791E+04-1.16245511E+02-3.09104262E+00+1.02318896E-01-6.84858873E-05 3
++2.30183940E-08-3.07013080E-12-6.62829069E+03+4.31173932E+01 4
+CC8H17 C 8H 17 G 300.00 5000.00 1390.00 1
++2.51497158E+01+3.71096845E-02-1.26854483E-05+1.96873429E-09-1.14193894E-13 2
+-1.82761790E+04-1.09056834E+02-9.73159697E-02+8.92653724E-02-5.12873814E-05 3
++1.37640528E-08-1.27788396E-12-8.81147302E+03+2.89791898E+01 4
+DC8H17 C 8H 17 G 300.00 5000.00 1396.00 1
++2.67069782E+01+3.57660601E-02-1.22178704E-05+1.89536630E-09-1.09907843E-13 2
+-1.61255862E+04-1.18098245E+02-3.41944741E+00+1.06803189E-01-7.65411563E-05 3
++2.85341682E-08-4.36478649E-12-5.73775897E+03+4.34500414E+01 4
+IC8H16 C 8H 16 G 300.00 5000.00 1394.00 1
++2.56756746E+01+3.41801998E-02-1.16002952E-05+1.79195478E-09-1.03613002E-13 2
+-2.62458324E+04-1.13928273E+02-2.79610447E+00+1.00836172E-01-7.12250651E-05 3
++2.60659824E-08-3.90031814E-12-1.64002496E+04+3.88854068E+01 4
+JC8H16 C 8H 16 G 300.00 5000.00 1397.00 1
++2.60101527E+01+3.39703243E-02-1.15422451E-05+1.78422814E-09-1.03212200E-13 2
+-2.65174535E+04-1.15359195E+02-3.31862122E+00+1.04315305E-01-7.64763013E-05 3
++2.92169219E-08-4.56913862E-12-1.65448250E+04+4.14548253E+01 4
+IC8H15 C 8H 15 G 300.00 5000.00 1397.00 1
++2.60931337E+01+3.17629740E-02-1.07800358E-05+1.66534077E-09-9.62985504E-14 2
+-8.00312155E+03-1.15651475E+02-3.74987946E+00+1.05476476E-01-8.12781961E-05 3
++3.26271703E-08-5.33783606E-12+1.92249518E+03+4.31416185E+01 4
+AC8H17O2 C 8H 17O 2 G 300.00 5000.00 1393.00 1
++3.02815958E+01+3.78729072E-02-1.30468383E-05+2.03524213E-09-1.18471267E-13 2
+-3.48032462E+04-1.31647036E+02-1.78614072E+00+1.14754903E-01-8.50604719E-05 3
++3.34040935E-08-5.45173228E-12-2.37742056E+04+4.00275514E+01 4
+BC8H17O2 C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.09351615E+01+3.74102564E-02-1.29070970E-05+2.01544850E-09-1.17398911E-13 2
+-3.77457753E+04-1.36730800E+02-3.07002356E+00+1.22640438E-01-9.72202764E-05 3
++4.09127625E-08-7.09102547E-12-2.64014308E+04+4.40345691E+01 4
+CC8H17O2 C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.09721695E+01+3.73366082E-02-1.28724179E-05+2.00907464E-09-1.16989072E-13 2
+-3.79648855E+04-1.38456446E+02-1.80143766E+00+1.18030511E-01-9.10630966E-05 3
++3.73480361E-08-6.33999307E-12-2.68892049E+04+3.62716425E+01 4
+DC8H17O2 C 8H 17O 2 G 300.00 5000.00 1393.00 1
++3.02815958E+01+3.78729072E-02-1.30468383E-05+2.03524213E-09-1.18471267E-13 2
+-3.48032462E+04-1.32744167E+02-1.78614072E+00+1.14754903E-01-8.50604719E-05 3
++3.34040935E-08-5.45173228E-12-2.37742056E+04+3.89304200E+01 4
+AC8H17O2H C 8H 18O 2 G 300.00 5000.00 1394.00 1
++3.26877471E+01+3.81543348E-02-1.31904018E-05+2.06264164E-09-1.20273296E-13 2
+-5.27061157E+04-1.45649372E+02-2.60590167E+00+1.22975246E-01-9.23792422E-05 3
++3.62352036E-08-5.84914182E-12-4.06451692E+04+4.31271543E+01 4
+BC8H17O2H C 8H 18O 2 G 300.00 5000.00 1395.00 1
++3.33795839E+01+3.76075190E-02-1.30106507E-05+2.03549569E-09-1.18729187E-13 2
+-5.56606229E+04-1.50940682E+02-3.94136639E+00+1.31008751E-01-1.04675464E-04 3
++4.37713359E-08-7.48395636E-12-4.32624432E+04+4.73897591E+01 4
+CC8H17O2H C 8H 18O 2 G 300.00 5000.00 1394.00 1
++3.34492663E+01+3.74760859E-02-1.29495289E-05+2.02432718E-09-1.18013520E-13 2
+-5.58859437E+04-1.52839441E+02-2.84505394E+00+1.27200028E-01-9.97024841E-05 3
++4.09114072E-08-6.88149851E-12-4.37253252E+04+4.04161993E+01 4
+DC8H17O2H C 8H 18O 2 G 300.00 5000.00 1394.00 1
++3.26877471E+01+3.81543348E-02-1.31904018E-05+2.06264164E-09-1.20273296E-13 2
+-5.27061157E+04-1.46746504E+02-2.60590167E+00+1.22975246E-01-9.23792422E-05 3
++3.62352036E-08-5.84914182E-12-4.06451692E+04+4.20300230E+01 4
+AC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.88343933E+01+3.63403146E-02-1.23814095E-05+1.91748102E-09-1.11063219E-13 2
+-3.29777132E+04-1.26786653E+02-3.80491312E+00+1.15184609E-01-8.57614185E-05 3
++3.31877927E-08-5.24475393E-12-2.19418053E+04+4.75187920E+01 4
+BC8H17O C 8O 1H 17 G 300.00 5000.00 1400.00 1
++2.91996555E+01+3.62435016E-02-1.23916984E-05+1.92336095E-09-1.11569960E-13 2
+-3.52447658E+04-1.30181834E+02-3.96685353E+00+1.18150102E-01-9.09087627E-05 3
++3.65594900E-08-6.00779878E-12-2.41854516E+04+4.63436117E+01 4
+CC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.94459429E+01+3.59416431E-02-1.22687364E-05+1.90233593E-09-1.10275675E-13 2
+-3.65164717E+04-1.32704700E+02-3.83187637E+00+1.18581554E-01-9.20889748E-05 3
++3.74315233E-08-6.21723419E-12-2.54590182E+04+4.42631132E+01 4
+DC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.88343933E+01+3.63403146E-02-1.23814095E-05+1.91748102E-09-1.11063219E-13 2
+-3.29777132E+04-1.27194302E+02-3.80491312E+00+1.15184609E-01-8.57614185E-05 3
++3.31877927E-08-5.24475393E-12-2.19418053E+04+4.71111423E+01 4
+AC8H16OOH-A C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.80443391E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.64331259E+04+4.17717295E+01 4
+AC8H16OOH-B C 8H 17O 2 G 300.00 5000.00 1390.00 1
++3.25510943E+01+3.47986732E-02-1.18444590E-05+1.83415878E-09-1.06263255E-13 2
+-2.95119890E+04-1.41568260E+02-2.06912730E+00+1.16142139E-01-8.44026727E-05 3
++3.10689399E-08-4.59880303E-12-1.76383455E+04+4.40292848E+01 4
+AC8H16OOH-C C 8H 17O 2 G 300.00 5000.00 1389.00 1
++3.07262781E+01+3.73278652E-02-1.29171084E-05+2.02116922E-09-1.17905143E-13 2
+-2.98447203E+04-1.31584073E+02+1.37822561E+00+1.01363546E-01-6.53502993E-05 3
++2.12486815E-08-2.79452649E-12-1.91404617E+04+2.77383760E+01 4
+AC8H16OOH-D C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.80443391E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.64331259E+04+4.17717295E+01 4
+BC8H16OOH-C C 8H 17O 2 G 300.00 5000.00 1390.00 1
++3.17641522E+01+3.64992527E-02-1.26438443E-05+1.97989245E-09-1.15559672E-13 2
+-3.25683115E+04-1.38935214E+02+4.50202986E-01+1.07139372E-01-7.31797889E-05 3
++2.55227551E-08-3.63601201E-12-2.14096422E+04+3.01864197E+01 4
+BC8H16OOH-A C 8H 17O 2 G 300.00 5000.00 1395.00 1
++3.29649795E+01+3.54521526E-02-1.22760697E-05+1.92175602E-09-1.12143669E-13 2
+-3.05966248E+04-1.44760131E+02-3.22207871E+00+1.26635635E-01-1.02426709E-04 3
++4.32557714E-08-7.44990097E-12-1.86411004E+04+4.73182493E+01 4
+BC8H16OOH-D C 8H 17O 2 G 300.00 5000.00 1395.00 1
++3.29649795E+01+3.54521526E-02-1.22760697E-05+1.92175602E-09-1.12143669E-13 2
+-3.05966248E+04-1.45857263E+02-3.22207871E+00+1.26635635E-01-1.02426709E-04 3
++4.32557714E-08-7.44990097E-12-1.86411004E+04+4.62211179E+01 4
+CC8H16OOH-D C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.30252762E+01+3.53441853E-02-1.22263715E-05+1.91270947E-09-1.11565017E-13 2
+-3.08189254E+04-1.47704169E+02-2.05751270E+00+1.22565802E-01-9.71043924E-05 3
++4.02046214E-08-6.81002951E-12-1.91154529E+04+3.89226152E+01 4
+CC8H16OOH-B C 8H 17O 2 G 300.00 5000.00 1391.00 1
++3.31608087E+01+3.44400431E-02-1.17524342E-05+1.82282432E-09-1.05717658E-13 2
+-3.22520616E+04-1.47957290E+02-2.10615358E+00+1.19486353E-01-9.04973544E-05 3
++3.51127559E-08-5.51947072E-12-2.03466672E+04+4.03799994E+01 4
+CC8H16OOH-A C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.30252762E+01+3.53441853E-02-1.22263715E-05+1.91270947E-09-1.11565017E-13 2
+-3.08189254E+04-1.46607038E+02-2.05751270E+00+1.22565802E-01-9.71043924E-05 3
++4.02046214E-08-6.81002951E-12-1.91154529E+04+4.00197465E+01 4
+DC8H16OOH-C C 8H 17O 2 G 300.00 5000.00 1389.00 1
++3.07262781E+01+3.73278652E-02-1.29171084E-05+2.02116922E-09-1.17905143E-13 2
+-2.94421033E+04-1.31986690E+02+1.37822561E+00+1.01363546E-01-6.53502993E-05 3
++2.12486815E-08-2.79452649E-12-1.87378447E+04+2.73357589E+01 4
+DC8H16OOH-D C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.76417221E+04-1.41668184E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.60305089E+04+4.06745981E+01 4
+DC8H16OOH-B C 8H 17O 2 G 300.00 5000.00 1390.00 1
++3.25510943E+01+3.47986732E-02-1.18444590E-05+1.83415878E-09-1.06263255E-13 2
+-2.91093720E+04-1.42665392E+02-2.06912730E+00+1.16142139E-01-8.44026727E-05 3
++3.10689399E-08-4.59880303E-12-1.72357285E+04+4.29321534E+01 4
+DC8H16OOH-A C 8H 17O 2 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.76417221E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.60305089E+04+4.17717295E+01 4
+IC8ETERAA C 8O 1H 16 G 300.00 5000.00 1402.00 1
++2.76609620E+01+3.54374921E-02-1.20270463E-05+1.85781053E-09-1.07416032E-13 2
+-3.72560156E+04-1.22979949E+02-5.82996279E+00+1.17708720E-01-8.97428356E-05 3
++3.53445608E-08-5.64033758E-12-2.61196792E+04+5.53022894E+01 4
+IC8ETERAB C 8O 1H 16 G 300.00 5000.00 1403.00 1
++2.76798014E+01+3.59323006E-02-1.23072657E-05+1.91269208E-09-1.11054254E-13 2
+-4.05912134E+04-1.25295695E+02-7.80049041E+00+1.23580877E-01-9.58621529E-05 3
++3.83545262E-08-6.21761428E-12-2.88197649E+04+6.34400053E+01 4
+IC8ETERAC C 8O 1H 16 G 300.00 5000.00 1401.00 1
++2.74247596E+01+3.63922171E-02-1.24291523E-05+1.92815283E-09-1.11818455E-13 2
+-5.27913842E+04-1.27246044E+02-9.59187284E+00+1.28236477E-01-1.00326484E-04 3
++4.03884956E-08-6.57333725E-12-4.05657072E+04+6.94955343E+01 4
+IC8ETERAD C 8O 1H 16 G 300.00 5000.00 1397.00 1
++2.74697925E+01+3.70247038E-02-1.27040472E-05+1.97715113E-09-1.14923606E-13 2
+-5.22136867E+04-1.30074996E+02-1.00898551E+01+1.26532107E-01-9.39774615E-05 3
++3.53987472E-08-5.36309552E-12-3.94622646E+04+7.08239447E+01 4
+IC8ETERBC C 8O 1H 16 G 300.00 5000.00 1401.00 1
++2.91314751E+01+3.43774014E-02-1.17923055E-05+1.83443368E-09-1.06580097E-13 2
+-4.33290883E+04-1.34137270E+02-6.52843292E+00+1.25863708E-01-1.03309536E-04 3
++4.39589623E-08-7.56138322E-12-3.17916901E+04+5.44269645E+01 4
+IC8ETERBD C 8O 1H 16 G 300.00 5000.00 1403.00 1
++2.76798014E+01+3.59323006E-02-1.23072657E-05+1.91269208E-09-1.11054254E-13 2
+-4.05912134E+04-1.26392826E+02-7.80049041E+00+1.23580877E-01-9.58621529E-05 3
++3.83545262E-08-6.21761428E-12-2.88197649E+04+6.23428739E+01 4
+IC8ETERCD C 8O 1H 16 G 300.00 5000.00 1400.00 1
++2.86413961E+01+3.45920154E-02-1.18240709E-05+1.83517355E-09-1.06458193E-13 2
+-4.05813126E+04-1.30367926E+02-5.78684465E+00+1.20680536E-01-9.52827789E-05 3
++3.89816643E-08-6.47007880E-12-2.92421013E+04+5.24386522E+01 4
+IC8ETERDD C 8O 1H 16 G 300.00 5000.00 1400.00 1
++2.73556138E+01+3.59638195E-02-1.22682161E-05+1.90171108E-09-1.10226910E-13 2
+-3.79302663E+04-1.24315287E+02-7.58698592E+00+1.20473410E-01-9.05271586E-05 3
++3.48575822E-08-5.42424035E-12-2.61839898E+04+6.21571345E+01 4
+AC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+AC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.61072392E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.15232002E+01 4
+AC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62468861E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.67518862E+01 4
+AC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+BC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.75785800E+01+3.64513715E-02-1.26763216E-05+1.99010404E-09-1.16363556E-13 2
+-5.25653329E+04-1.68169424E+02-1.49381512E+00+1.36761538E-01-1.14348621E-04 3
++4.99098535E-08-8.85373352E-12-3.97954365E+04+3.86453145E+01 4
+BC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.61072392E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.15232002E+01 4
+BC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.62169524E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.04260689E+01 4
+CC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62876511E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.63442364E+01 4
+CC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.75785800E+01+3.64513715E-02-1.26763216E-05+1.99010404E-09-1.16363556E-13 2
+-5.25653329E+04-1.68169424E+02-1.49381512E+00+1.36761538E-01-1.14348621E-04 3
++4.99098535E-08-8.85373352E-12-3.97954365E+04+3.86453145E+01 4
+CC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62468861E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.67518862E+01 4
+DC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62876511E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.63442364E+01 4
+DC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56936971E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.82699565E+01 4
+DC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.62169524E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.04260689E+01 4
+DC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+IC8KETAA C 8O 3H 16 G 300.00 5000.00 1393.00 1
++3.37853567E+01+3.48956991E-02-1.21173465E-05+1.90061451E-09-1.11065193E-13 2
+-6.30868047E+04-1.46707041E+02-1.64582765E+00+1.20217054E-01-9.16818443E-05 3
++3.60846240E-08-5.80275885E-12-5.10311149E+04+4.26871803E+01 4
+IC8KETAB C 8O 3H 16 G 300.00 5000.00 1394.00 1
++3.47134000E+01+3.41945225E-02-1.18952719E-05+1.86805496E-09-1.09255878E-13 2
+-6.57745821E+04-1.53035860E+02-2.37786754E+00+1.24999274E-01-9.81048338E-05 3
++3.95573283E-08-6.48097453E-12-5.33254847E+04+4.46667297E+01 4
+IC8KETAC C 8O 3H 16 G 300.00 5000.00 1393.00 1
++3.45066719E+01+3.43206253E-02-1.19269336E-05+1.87169276E-09-1.09412647E-13 2
+-6.62608600E+04-1.53281052E+02-1.79570223E+00+1.24085304E-01-9.85298875E-05 3
++4.05270269E-08-6.79640096E-12-5.41257970E+04+3.99674075E+01 4
+IC8KETAD C 8O 3H 16 G 300.00 5000.00 1393.00 1
++3.37853567E+01+3.48956991E-02-1.21173465E-05+1.90061451E-09-1.11065193E-13 2
+-6.30868047E+04-1.46707041E+02-1.64582765E+00+1.20217054E-01-9.16818443E-05 3
++3.60846240E-08-5.80275885E-12-5.10311149E+04+4.26871803E+01 4
+IC8KETBA C 8O 3H 16 G 300.00 5000.00 1393.00 1
++3.36880261E+01+3.51530815E-02-1.22449632E-05+1.92459229E-09-1.12625930E-13 2
+-6.57501190E+04-1.47550024E+02-3.65722567E+00+1.27159677E-01-1.00732622E-04 3
++4.13367943E-08-6.92386575E-12-5.32214668E+04+5.13886594E+01 4
+IC8KETBC C 8O 3H 16 G 300.00 5000.00 1394.00 1
++3.50696425E+01+3.40096645E-02-1.18587999E-05+1.86530452E-09-1.09217949E-13 2
+-6.88169429E+04-1.58744646E+02-3.14440571E+00+1.26997795E-01-9.92838921E-05 3
++3.96018910E-08-6.39794193E-12-5.59585699E+04+4.51031280E+01 4
+IC8KETBD C 8O 3H 16 G 300.00 5000.00 1393.00 1
++3.36880261E+01+3.51530815E-02-1.22449632E-05+1.92459229E-09-1.12625930E-13 2
+-6.57501190E+04-1.47957674E+02-3.65722567E+00+1.27159677E-01-1.00732622E-04 3
++4.13367943E-08-6.92386575E-12-5.32214668E+04+5.09810097E+01 4
+IC8KETDA C 8O 3H 16 G 300.00 5000.00 1394.00 1
++3.37567781E+01+3.48947879E-02-1.21110491E-05+1.89897571E-09-1.10942203E-13 2
+-6.34053810E+04-1.46504034E+02-1.90202597E+00+1.21572025E-01-9.39028715E-05 3
++3.75062860E-08-6.11797234E-12-5.13502815E+04+4.38246582E+01 4
+IC8KETDB C 8O 3H 16 G 300.00 5000.00 1395.00 1
++3.47542216E+01+3.41135713E-02-1.18569613E-05+1.86098174E-09-1.08799437E-13 2
+-6.61213882E+04-1.53639919E+02-2.64616572E+00+1.26354081E-01-1.00157081E-04 3
++4.07840374E-08-6.73818789E-12-5.36421698E+04+4.54596528E+01 4
+IC8KETDC C 8O 3H 16 G 300.00 5000.00 1395.00 1
++3.51792772E+01+3.37381618E-02-1.17250740E-05+1.84020986E-09-1.07584482E-13 2
+-6.64895512E+04-1.57936324E+02-1.58826532E+00+1.22408280E-01-9.39524343E-05 3
++3.67003701E-08-5.79705545E-12-5.40609009E+04+3.84395166E+01 4
+IC8KETDD C 8O 3H 16 G 300.00 5000.00 1394.00 1
++3.37567781E+01+3.48947879E-02-1.21110491E-05+1.89897571E-09-1.10942203E-13 2
+-6.34053810E+04-1.47601165E+02-1.90202597E+00+1.21572025E-01-9.39028715E-05 3
++3.75062860E-08-6.11797234E-12-5.13502815E+04+4.27275269E+01 4
+CC8H16OH-B C 8O 1H 17 G 300.00 5000.00 1391.00 1
++2.99669394E+01+3.36833754E-02-1.12165522E-05+1.71225938E-09-9.82418884E-14 2
+-4.15420661E+04-1.32271564E+02-2.87689827E+00+1.11482896E-01-8.08081607E-05 3
++2.96268389E-08-4.33297023E-12-3.04051599E+04+4.34716318E+01 4
+BC8H16OH-C C 8O 1H 17 G 300.00 5000.00 1396.00 1
++2.73071221E+01+3.73062264E-02-1.27306762E-05+1.97331176E-09-1.14355872E-13 2
+-4.03341181E+04-1.16371644E+02-2.95390133E-03+9.84557966E-02-6.43904921E-05 3
++2.15914295E-08-2.94525109E-12-3.05712666E+04+3.12607389E+01 4
+CC8H16OH-BO2 C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.27331948E+01+3.72943966E-02-1.27101629E-05+1.96840530E-09-1.14001456E-13 2
+-5.98974914E+04-1.41668291E+02-1.01489887E+00+1.23437073E-01-9.88861679E-05 3
++4.18262980E-08-7.22470368E-12-4.88785713E+04+3.70357488E+01 4
+CC8H16O-BO2H C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.51419039E+01+3.55476965E-02-1.21767888E-05+1.89258894E-09-1.09895460E-13 2
+-5.28900671E+04-1.56477808E+02-1.93158929E+00+1.30258417E-01-1.06389100E-04 3
++4.49887457E-08-7.69050188E-12-4.08663072E+04+3.96858637E+01 4
+CC8H16OH-D C 8O 1H 17 G 300.00 5000.00 1399.00 1
++2.90885755E+01+3.57051012E-02-1.21609712E-05+1.88273709E-09-1.09020453E-13 2
+-3.98058038E+04-1.27825383E+02-3.14476709E+00+1.16182932E-01-9.04611316E-05 3
++3.70273820E-08-6.20095829E-12-2.91289874E+04+4.34505404E+01 4
+DC8H16OH-C C 8O 1H 17 G 300.00 5000.00 1392.00 1
++2.69565769E+01+3.74226654E-02-1.27342704E-05+1.97034001E-09-1.14048459E-13 2
+-3.80802679E+04-1.12796386E+02+2.14519194E-01+9.52857454E-02-5.89435011E-05 3
++1.80555637E-08-2.15185876E-12-2.83374227E+04+3.24504093E+01 4
+BC8H16OH-CO2 C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.25714033E+01+3.73996925E-02-1.27376834E-05+1.97165020E-09-1.14143661E-13 2
+-5.91489607E+04-1.40868935E+02-1.15175027E+00+1.25122316E-01-1.02472582E-04 3
++4.44190635E-08-7.84138960E-12-4.82818942E+04+3.71538044E+01 4
+BC8H16O-CO2H C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.49565016E+01+3.56849135E-02-1.22178739E-05+1.89821145E-09-1.10186458E-13 2
+-5.21350428E+04-1.55548183E+02-1.97309894E+00+1.31501867E-01-1.09342416E-04 3
++4.72136087E-08-8.23107667E-12-4.02833222E+04+3.93673819E+01 4
+CC8H16OH-DO2 C 8O 3H 17 G 300.00 5000.00 1398.00 1
++3.23695985E+01+3.77131763E-02-1.28789334E-05+1.99728040E-09-1.15785161E-13 2
+-5.80394975E+04-1.38326984E+02-1.46705330E-01+1.18354266E-01-9.10679891E-05 3
++3.71021460E-08-6.22158062E-12-4.71750407E+04+3.47110249E+01 4
+CC8H16O-DO2H C 8O 3H 17 G 300.00 5000.00 1398.00 1
++3.47789129E+01+3.59653495E-02-1.23450444E-05+1.92137125E-09-1.11673282E-13 2
+-5.10322495E+04-1.53139778E+02-1.06380331E+00+1.25177078E-01-9.85722976E-05 3
++4.02647881E-08-6.68729477E-12-3.91627086E+04+3.73630837E+01 4
+DC8H16OH-CO2 C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.20523506E+01+3.76750697E-02-1.27977739E-05+1.97752875E-09-1.14348441E-13 2
+-5.67968277E+04-1.36950337E+02-4.59393179E-01+1.20088443E-01-9.45910698E-05 3
++3.95062801E-08-6.76037390E-12-4.61257195E+04+3.54073839E+01 4
+DC8H16O-CO2H C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.44608014E+01+3.59290140E-02-1.22647176E-05+1.90177205E-09-1.10246328E-13 2
+-4.97893865E+04-1.51758563E+02-1.37464241E+00+1.26903569E-01-1.02085221E-04 3
++4.26637978E-08-7.22519508E-12-3.81136770E+04+3.80507929E+01 4
+IC6H13CHO-B O 1C 7H 14 G 300.00 5000.00 1395.00 1
++2.46801791E+01+3.05595044E-02-1.04858321E-05+1.63162811E-09-9.48178090E-14 2
+-4.65754535E+04-1.04698688E+02-2.06186556E+00+9.26532225E-02-6.54344358E-05 3
++2.37101741E-08-3.49699025E-12-3.72734650E+04+3.90181366E+01 4
+IC6H13CO-B O 1C 7H 13 G 300.00 5000.00 1395.00 1
++2.43249509E+01+2.83881621E-02-9.75334056E-06+1.51900476E-09-8.83292303E-14 2
+-2.76437026E+04-1.01160179E+02-1.36348633E+00+8.81636722E-02-6.26953163E-05 3
++2.27706971E-08-3.35325060E-12-1.87338419E+04+3.68275476E+01 4
+AC6H12CHO-B O 1C 7H 13 G 300.00 5000.00 1395.00 1
++2.42514472E+01+2.84438313E-02-9.77077660E-06+1.52152073E-09-8.84667232E-14 2
+-2.15083432E+04-9.95417905E+01-1.27560491E+00+8.80197598E-02-6.28266939E-05 3
++2.29973864E-08-3.42459126E-12-1.26633185E+04+3.75312437E+01 4
+CC6H12CHO-B O 1C 7H 13 G 300.00 5000.00 1382.00 1
++2.48743929E+01+2.69185384E-02-9.05081747E-06+1.39097340E-09-8.01916208E-14 2
+-2.31625239E+04-1.02607483E+02-1.11832797E+00+8.38509118E-02-5.40513965E-05 3
++1.62768539E-08-1.73372622E-12-1.39236337E+04+3.80574211E+01 4
+DC6H12CHO-B O 1C 7H 13 G 300.00 5000.00 1382.00 1
++2.48743929E+01+2.69185384E-02-9.05081747E-06+1.39097340E-09-8.01916208E-14 2
+-2.31625239E+04-1.02607483E+02-1.11832797E+00+8.38509118E-02-5.40513965E-05 3
++1.62768539E-08-1.73372622E-12-1.39236337E+04+3.80574211E+01 4
+EC6H12CHO-B O 1C 7H 13 G 300.00 5000.00 1395.00 1
++2.42514472E+01+2.84438313E-02-9.77077660E-06+1.52152073E-09-8.84667232E-14 2
+-2.15083432E+04-9.95417905E+01-1.27560491E+00+8.80197598E-02-6.28266939E-05 3
++2.29973864E-08-3.42459126E-12-1.26633185E+04+3.75312437E+01 4
+IC6H13CHO-D O 1C 7H 14 G 300.00 5000.00 1393.00 1
++2.33841323E+01+3.17477398E-02-1.09128332E-05+1.69988637E-09-9.88517244E-14 2
+-4.61923369E+04-9.59715359E+01-1.46105990E+00+8.75877547E-02-5.84960853E-05 3
++2.00522034E-08-2.81158003E-12-3.73170744E+04+3.82873196E+01 4
+IC6H13CO-D O 1C 7H 13 G 300.00 5000.00 1393.00 1
++2.29686550E+01+2.96146721E-02-1.01906719E-05+1.58857460E-09-9.24272780E-14 2
+-2.72309483E+04-9.20709572E+01-6.86869182E-01+8.27820874E-02-5.54303759E-05 3
++1.89761388E-08-2.64754131E-12-1.87886291E+04+3.57456884E+01 4
+AC6H12CHO-D O 1C 7H 13 G 300.00 5000.00 1393.00 1
++2.29422764E+01+2.96497030E-02-1.02052918E-05+1.59110021E-09-9.25835423E-14 2
+-2.11195896E+04-9.07378844E+01-6.20686634E-01+8.27433784E-02-5.56197091E-05 3
++1.91977760E-08-2.71224209E-12-1.27157934E+04+3.65442569E+01 4
+BC6H12CHO-D O 1C 7H 13 G 300.00 5000.00 1384.00 1
++2.14175606E+01+3.09495570E-02-1.06544077E-05+1.66125209E-09-9.66692969E-14 2
+-2.30307400E+04-8.18874481E+01+2.54734237E+00+6.58788027E-02-3.13192641E-05 3
++4.98367270E-09+2.58513070E-13-1.55144710E+04+2.27833491E+01 4
+CC6H12CHO-D O 1C 7H 13 G 300.00 5000.00 1377.00 1
++2.36496570E+01+2.78646436E-02-9.35641593E-06+1.43651362E-09-8.27557401E-14 2
+-2.27807364E+04-9.42101917E+01-5.82108737E-01+7.90543012E-02-4.75520142E-05 3
++1.28281319E-08-1.07735977E-12-1.39564582E+04+3.76321513E+01 4
+DC6H12CHO-D O 1C 7H 13 G 300.00 5000.00 1389.00 1
++2.32412991E+01+2.94013946E-02-1.01210871E-05+1.57812201E-09-9.18349976E-14 2
+-2.67973204E+04-9.47460288E+01+7.18129174E-01+7.97814021E-02-5.30878535E-05 3
++1.83105964E-08-2.61673962E-12-1.86909366E+04+2.71126725E+01 4
+EC6H12CHO-D O 1C 7H 13 G 300.00 5000.00 1393.00 1
++2.29422764E+01+2.96497030E-02-1.02052918E-05+1.59110021E-09-9.25835423E-14 2
+-2.11195896E+04-9.07378844E+01-6.20686634E-01+8.27433784E-02-5.56197091E-05 3
++1.91977760E-08-2.71224209E-12-1.27157934E+04+3.65442569E+01 4
+IC3H7COC3H7-I O 1C 7H 14 G 300.00 5000.00 1392.00 1
++2.33276646E+01+3.20863768E-02-1.10937810E-05+1.73479615E-09-1.01153632E-13 2
+-5.00583595E+04-9.78174337E+01-3.77585100E+00+9.59989717E-02-6.97829151E-05 3
++2.67759950E-08-4.27869423E-12-4.06227575E+04+4.76721021E+01 4
+IC3H7COC3H6-I O 1C 7H 13 G 300.00 5000.00 1392.00 1
++2.29197125E+01+2.99259872E-02-1.03576174E-05+1.62082600E-09-9.45553922E-14 2
+-2.49969691E+04-9.20831444E+01-3.08347340E+00+9.17572601E-02-6.77286761E-05 3
++2.63790309E-08-4.27043261E-12-1.59977356E+04+4.73147359E+01 4
+IC3H7COC3H6-T O 1C 7H 13 G 300.00 5000.00 1390.00 1
++2.30231691E+01+2.97793536E-02-1.02936733E-05+1.60942385E-09-9.38330580E-14 2
+-3.05668554E+04-9.55768500E+01-6.60479235E-01+8.38430170E-02-5.79348944E-05 3
++2.10237414E-08-3.18960231E-12-2.21318078E+04+3.22077356E+01 4
+TC4H9COC2H5 O 1C 7H 14 G 300.00 5000.00 1392.00 1
++2.43139145E+01+3.09986190E-02-1.06645066E-05+1.66226165E-09-9.67097097E-14 2
+-5.03935537E+04-1.03085400E+02-2.34985894E+00+9.42069281E-02-6.88140380E-05 3
++2.64112105E-08-4.19878070E-12-4.11774516E+04+3.98705615E+01 4
+TC4H8COC2H5 O 1C 7H 13 G 300.00 5000.00 1392.00 1
++2.38716283E+01+2.88997528E-02-9.95637975E-06+1.55335028E-09-9.04327880E-14 2
+-2.53210694E+04-9.78558263E+01-1.56581379E+00+8.96020058E-02-6.62908845E-05 3
++2.57733725E-08-4.14672273E-12-1.65673043E+04+3.83858873E+01 4
+TC4H9COC2H4S O 1C 7H 13 G 300.00 5000.00 1394.00 1
++2.44311775E+01+2.85604759E-02-9.86991067E-06+1.54307557E-09-8.99661771E-14 2
+-3.02612030E+04-1.04211609E+02-2.86500441E+00+9.45587402E-02-7.18382514E-05 3
++2.84095909E-08-4.60883988E-12-2.09863386E+04+4.16255786E+01 4
+TC4H9COC2H4P O 1C 7H 13 G 300.00 5000.00 1392.00 1
++2.38716283E+01+2.88997528E-02-9.95637975E-06+1.55335028E-09-9.04327880E-14 2
+-2.53210694E+04-9.78558263E+01-1.56581379E+00+8.96020058E-02-6.62908845E-05 3
++2.57733725E-08-4.14672273E-12-1.65673043E+04+3.83858873E+01 4
+NEOC5H11COCH3 O 1C 7H 14 G 300.00 5000.00 1390.00 1
++2.43486596E+01+3.06917909E-02-1.05004224E-05+1.63082524E-09-9.46511062E-14 2
+-5.07352310E+04-1.03291547E+02-1.46390909E+00+9.05685950E-02-6.37865551E-05 3
++2.33501459E-08-3.52135242E-12-4.17111247E+04+3.55185522E+01 4
+NEOC5H10COCH3 O 1C 7H 13 G 300.00 5000.00 1390.00 1
++2.39256329E+01+2.85722552E-02-9.78428852E-06+1.52057894E-09-8.82932128E-14 2
+-2.56709397E+04-9.81734931E+01-6.89460021E-01+8.60015804E-02-6.12862996E-05 3
++2.27088339E-08-3.46573783E-12-1.70995937E+04+3.40782918E+01 4
+TC4H9CHCOCH3 O 1C 7H 13 G 300.00 5000.00 1394.00 1
++2.42666643E+01+2.85991118E-02-9.86099273E-06+1.53937608E-09-8.96576896E-14 2
+-3.05411954E+04-1.03331843E+02-1.85925046E+00+9.03847676E-02-6.61632235E-05 3
++2.50957244E-08-3.90449871E-12-2.15371579E+04+3.67240737E+01 4
+NEOC5H11COCH2 O 1C 7H 13 G 300.00 5000.00 1390.00 1
++2.39256329E+01+2.85722552E-02-9.78428852E-06+1.52057894E-09-8.82932128E-14 2
+-2.56709397E+04-9.81734931E+01-6.89460021E-01+8.60015804E-02-6.12862996E-05 3
++2.27088339E-08-3.46573783E-12-1.70995937E+04+3.40782918E+01 4
+NEOC6H13CHO O 1C 7H 14 G 300.00 5000.00 1390.00 1
++2.48969600E+01+2.98733076E-02-1.01450449E-05+1.56812987E-09-9.07200142E-14 2
+-4.70628380E+04-1.05562716E+02-1.07662033E+00+9.06315437E-02-6.44711218E-05 3
++2.36973093E-08-3.55917227E-12-3.80746419E+04+3.38641362E+01 4
+NEOC6H13CO O 1C 7H 13 G 300.00 5000.00 1390.00 1
++2.44942743E+01+2.77558577E-02-9.43402090E-06+1.45914685E-09-8.44547842E-14 2
+-2.81132437E+04-1.01752249E+02-2.87709630E-01+8.57649866E-02-6.12854159E-05 3
++2.25486149E-08-3.38121978E-12-1.95488023E+04+3.12520715E+01 4
+FC6H12CHO O 1C 7H 13 G 300.00 5000.00 1390.00 1
++2.44790270E+01+2.77234012E-02-9.41318956E-06+1.45492224E-09-8.41703414E-14 2
+-2.19960556E+04-1.00455738E+02-2.96237000E-01+8.60441847E-02-6.19619487E-05 3
++2.30482594E-08-3.50036387E-12-1.34640410E+04+3.24008289E+01 4
+GC6H12CHO O 1C 7H 13 G 300.00 5000.00 1379.00 1
++2.47015833E+01+2.71261493E-02-9.13422284E-06+1.40508985E-09-8.10539274E-14 2
+-2.35689644E+04-1.01453485E+02+2.26026624E-01+8.03948916E-02-5.12654503E-05 3
++1.55470699E-08-1.72614040E-12-1.47828461E+04+3.12101951E+01 4
+HC6H12CHO O 1C 7H 13 G 300.00 5000.00 1395.00 1
++2.46367754E+01+2.81015703E-02-9.64943101E-06+1.50224000E-09-8.73303956E-14 2
+-2.68070892E+04-1.04624439E+02-1.49153599E+00+9.06166557E-02-6.72533407E-05 3
++2.58235090E-08-4.05008952E-12-1.78994662E+04+3.51456906E+01 4
+IC4H7COCH3 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.83434395E+01+2.44109312E-02-8.44066563E-06+1.31997092E-09-7.69676934E-14 2
+-2.87734922E+04-6.84353349E+01+3.45161845E-02+6.50244770E-02-4.29538366E-05 3
++1.48194489E-08-2.14333203E-12-2.21163912E+04+3.07996675E+01 4
+IC4H7COCH2 C 6O 1H 9 G 300.00 5000.00 1390.00 1
++1.89479328E+01+2.14495345E-02-7.44167879E-06+1.16641630E-09-6.81239978E-14 2
+-7.41585721E+03-7.21913218E+01-3.53963022E-01+6.78928719E-02-5.13106907E-05 3
++2.05242684E-08-3.41203256E-12-7.76525564E+02+3.11124973E+01 4
+IC3H5CHCOCH3 C 6O 1H 9 G 300.00 5000.00 1390.00 1
++1.85845410E+01+2.17712979E-02-7.55624175E-06+1.18472459E-09-6.92089797E-14 2
+-8.68657098E+03-7.02588276E+01-5.58003073E-01+6.54550516E-02-4.56848950E-05 3
++1.64019601E-08-2.42048198E-12-1.90754088E+03+3.29624279E+01 4
+AC3H4CH2COCH3 C 6O 1H 9 G 300.00 5000.00 1391.00 1
++1.87819321E+01+2.19577231E-02-7.60408813E-06+1.19041134E-09-6.94658765E-14 2
+-1.05343919E+04-7.09624946E+01-9.11540358E-01+6.96528187E-02-5.29708390E-05 3
++2.13358360E-08-3.56619587E-12-3.79565358E+03+3.43197159E+01 4
+XC7H13OOH-X1 C 7H 14O 2 G 300.00 5000.00 1394.00 1
++2.66362046E+01+3.11410133E-02-1.07093968E-05+1.66864245E-09-9.70500546E-14 2
+-3.34516870E+04-1.08689560E+02+7.76412273E-01+9.32733765E-02-6.90302856E-05 3
++2.71131412E-08-4.42624208E-12-2.45737159E+04+2.96983529E+01 4
+XC7H13O-X1 O 1C 7H 13 G 300.00 5000.00 1393.00 1
++2.30727261E+01+2.95368852E-02-1.00745564E-05+1.56133137E-09-9.04775996E-14 2
+-1.29725199E+04-9.30554662E+01-7.75300249E-01+8.49646400E-02-5.94662144E-05 3
++2.16918278E-08-3.26005551E-12-4.65154069E+03+3.51414119E+01 4
+YC7H13OOH-X1 C 7H 14O 2 G 300.00 5000.00 1393.00 1
++2.64186836E+01+3.13780397E-02-1.08030073E-05+1.68451079E-09-9.80255605E-14 2
+-3.47896774E+04-1.08001178E+02+1.02249456E+00+9.09767571E-02-6.50991461E-05 3
++2.46035886E-08-3.87389704E-12-2.59288402E+04+2.84096505E+01 4
+YC7H13O-X1 O 1C 7H 13 G 300.00 5000.00 1391.00 1
++2.25900151E+01+2.99295397E-02-1.02060513E-05+1.58143556E-09-9.16308406E-14 2
+-1.41654513E+04-9.07429884E+01-1.81317091E-01+8.13808255E-02-5.43600432E-05 3
++1.87652595E-08-2.65959040E-12-6.06275977E+03+3.22056507E+01 4
+OC7H13OOH-N C 7H 14O 2 G 300.00 5000.00 1397.00 1
++2.74150209E+01+3.04497504E-02-1.04670931E-05+1.63063783E-09-9.48366783E-14 2
+-3.48277636E+04-1.15279505E+02-3.05484500E-01+9.61949401E-02-7.03532581E-05 3
++2.65693066E-08-4.09705497E-12-2.53195779E+04+3.32124833E+01 4
+OC7H13O-N O 1C 7H 13 G 300.00 5000.00 1396.00 1
++2.39390176E+01+2.87225504E-02-9.77892351E-06+1.51385879E-09-8.76662134E-14 2
+-1.46526171E+04-9.97092488E+01-2.66228512E+00+9.33258885E-02-7.03068767E-05 3
++2.75067837E-08-4.39060053E-12-5.69431956E+03+4.22270419E+01 4
+XC7H13OOH-Z C 7H 14O 2 G 300.00 5000.00 1392.00 1
++2.77344809E+01+3.06208930E-02-1.06227239E-05+1.66488546E-09-9.72302336E-14 2
+-3.55197897E+04-1.16497773E+02-1.48503090E+00+1.04030621E-01-8.36343827E-05 3
++3.56106876E-08-6.23762247E-12-2.57692851E+04+3.88009911E+01 4
+PC7H13OOH-O C 7H 14O 2 G 300.00 5000.00 1406.00 1
++2.88747280E+01+2.87658684E-02-9.79083754E-06+1.51536577E-09-8.77386311E-14 2
+-3.37434295E+04-1.24954947E+02-3.02722062E+00+1.11019293E-01-9.17829120E-05 3
++3.88307706E-08-6.58157021E-12-2.35462632E+04+4.34529948E+01 4
+OC7H13OOH-Q C 7H 14O 2 G 300.00 5000.00 1398.00 1
++2.75660499E+01+3.03391648E-02-1.04316827E-05+1.62530194E-09-9.45307884E-14 2
+-3.45006038E+04-1.15756154E+02-7.90734105E-01+1.00002634E-01-7.70002750E-05 3
++3.09783801E-08-5.10292520E-12-2.49866577E+04+3.53369865E+01 4
+OC7H13O-Q O 1C 7H 13 G 300.00 5000.00 1392.00 1
++2.48114551E+01+2.73357475E-02-9.17594314E-06+1.40814702E-09-8.10840729E-14 2
+-1.43009513E+04-1.05674605E+02-2.40308163E+00+9.16558423E-02-6.66066314E-05 3
++2.44184717E-08-3.57059788E-12-5.04996482E+03+4.00121981E+01 4
+XC7H13OOH-Y2 C 7H 14O 2 G 300.00 5000.00 1397.00 1
++2.67879504E+01+3.07897437E-02-1.05385579E-05+1.63676557E-09-9.49819719E-14 2
+-3.66745351E+04-1.11694404E+02+9.22602794E-01+9.45450815E-02-7.20937380E-05 3
++2.92248746E-08-4.89592286E-12-2.79723024E+04+2.61235641E+01 4
+XC7H13O-Y2 O 1C 7H 13 G 300.00 5000.00 1395.00 1
++2.34502681E+01+2.93961478E-02-1.00625079E-05+1.56299241E-09-9.07095315E-14 2
+-1.70842806E+04-9.65158529E+01-1.00666852E+00+8.94593772E-02-6.79868664E-05 3
++2.75737914E-08-4.63787960E-12-8.81465736E+03+3.39090116E+01 4
+YC7H13OOH-X2 C 7H 14O 2 G 300.00 5000.00 1392.00 1
++2.59633940E+01+3.17761504E-02-1.09429861E-05+1.70664641E-09-9.93263248E-14 2
+-3.49851761E+04-1.03963771E+02+1.57763619E+00+8.69613937E-02-5.88014368E-05 3
++2.07462381E-08-3.04306705E-12-2.62712900E+04+2.77464575E+01 4
+YC7H13O-X2 O 1C 7H 13 G 300.00 5000.00 1393.00 1
++2.22568730E+01+3.03747275E-02-1.03924985E-05+1.61372704E-09-9.36327358E-14 2
+-1.47112471E+04-8.70694731E+01-3.89617202E-01+8.25257681E-02-5.67350163E-05 3
++2.06158021E-08-3.13125784E-12-6.70837928E+03+3.49278519E+01 4
+CC6H11-D C 6H 11 G 300.00 5000.00 1391.00 1
++1.66759139E+01+2.55188994E-02-8.75271262E-06+1.36122037E-09-7.90628889E-14 2
++1.25816223E+04-6.17581772E+01+2.79892305E-01+6.08090233E-02-3.74358651E-05 3
++1.19198836E-08-1.57803419E-12+1.86591061E+04+2.75036232E+01 4
+DC6H11-D C 6H 11 G 300.00 5000.00 1392.00 1
++1.71678488E+01+2.50927881E-02-8.60445951E-06+1.33799261E-09-7.77083423E-14 2
++1.37739196E+04-6.41092420E+01-1.02888525E-01+6.34862322E-02-4.12460161E-05 3
++1.40677187E-08-2.01119123E-12+2.00376607E+04+2.94552886E+01 4
+IC3H6CHCOCH3 C 6O 1H 10 G 300.00 5000.00 1386.00 1
++1.84663850E+01+2.44259450E-02-8.47213874E-06+1.32761050E-09-7.75224614E-14 2
+-3.27396361E+04-7.08968496E+01+8.85427322E-01+6.25311280E-02-4.00028998E-05 3
++1.33360139E-08-1.87537015E-12-2.62281818E+04+2.47595184E+01 4
+AC3H5CHCOCH3 C 6O 1H 9 G 300.00 5000.00 1386.00 1
++1.94093580E+01+2.12803450E-02-7.43394792E-06+1.17058928E-09-6.85879838E-14 2
+-1.47343669E+04-7.63296154E+01+3.32194844E-01+6.50925472E-02-4.64483778E-05 3
++1.73165694E-08-2.69407590E-12-7.95952457E+03+2.65201335E+01 4
+IC3H6CHCOCH2 C 6O 1H 9 G 300.00 5000.00 1388.00 1
++1.90576522E+01+2.14419783E-02-7.45801114E-06+1.17093650E-09-6.84668640E-14 2
+-1.13718745E+04-7.45617262E+01+6.52612117E-01+6.46089181E-02-4.71213384E-05 3
++1.82350555E-08-2.95881586E-12-4.90902385E+03+2.43728654E+01 4
+C6H5C2H C 8H 6 G 300.00 3000.00 1000.00 1
++6.44145000E+00+4.17414100E-02-2.27722800E-05+5.89460800E-09-5.89533100E-13 2
++3.52722500E+04-9.47126000E+00+1.59415000E+00+3.13970000E-02+6.45489100E-05 3
+-1.25221100E-07+5.84069900E-11+3.71643100E+04+1.96526200E+01 4
+C4H2 C 4H 2 G 300.00 5000.00 1000.00 1
++5.76571900E+00+1.17533000E-02-5.03880100E-06+9.46430000E-10-6.54142600E-14 2
++5.48721100E+04-5.72544100E+00+3.97098100E+00+2.12044900E-02-1.70073100E-05 3
++5.16733800E-09+5.91768600E-15+5.48612600E+04+1.78043500E+00 4
+NC4H3 H 3C 4 G 300.00 5000.00 1000.00 1
++8.13818400E+00+8.48296400E-03-2.27318800E-06+3.05661700E-10-1.67390500E-14 2
++6.24260900E+04-1.54147500E+01+1.39888300E+00+3.25280500E-02-3.44238900E-05 3
++1.99648200E-08-4.82594700E-12+6.39068000E+04+1.78182000E+01 4
+C7H6 C 7H 6 G 300.00 5000.00 1000.00 1
++1.68334800E+01+1.67226500E-02-5.67220600E-06+9.04025300E-10-5.57004300E-14 2
++5.19756600E+04-5.93362200E+01+4.48147900E-01+6.21777000E-02-4.53888500E-05 3
++1.03357400E-08+1.14743800E-12+5.62738000E+04+2.48082600E+01 4
+C6H5CH3 H 8C 7 G 300.00 5000.00 1389.00 1
++1.63091542E+01+2.25331612E-02-7.84281827E-06+1.23200630E-09-7.20675043E-14 2
+-2.75804095E+03-6.66759774E+01-4.08982289E+00+6.86477374E-02-4.74716566E-05 3
++1.67001205E-08-2.39578007E-12+4.49937542E+03+4.34582591E+01 4
+C6H5CH2J C 7H 7 G 200.00 6000.00 1000.00 1
++1.40439800E+01+2.34938730E-02-8.53753670E-06+1.38908410E-09-8.36144200E-14 2
++1.85642030E+04-5.16655890E+01+4.81115400E-01+3.85128320E-02+3.28614920E-05 3
+-7.69727210E-08+3.54230680E-11+2.33070270E+04+2.35488200E+01 4
+OC6H4CH3 O 1C 7H 7 G 300.00 5000.00 1000.00 1
++6.32623400E+00+3.70920700E-02-1.37369600E-05+2.32847100E-09-1.49701800E-13 2
+-1.56635900E+03-4.68621100E+00-4.03964400E+00+7.39909500E-02-5.15945300E-05 3
++1.20372800E-08+1.43210200E-12+2.25707600E+02+4.53169300E+01 4
+HOC6H4CH3 H 8O 1C 7 G 300.00 5000.00 1000.00 1
++3.93691600E+00+4.57992200E-02-1.89178400E-05+3.46243800E-09-2.34981700E-13 2
+-1.82249900E+04+7.47180900E+00-3.83860400E+00+7.71299700E-02-5.33551100E-05 3
++1.29489800E-08+1.09766300E-12-1.72739200E+04+4.35757400E+01 4
+OC6H4O C 6H 4O 2 G 300.00 5000.00 1390.00 1
++1.89272866E+01+1.34964071E-02-4.81966200E-06+7.70239742E-10-4.56003968E-14 2
+-2.39344268E+04-7.98144011E+01-3.40668328E+00+6.96410107E-02-5.94147062E-05 3
++2.51063875E-08-4.21953602E-12-1.66350329E+04+3.86278633E+01 4
+HOC6H4CH2 O 1C 7H 7 G 300.00 5000.00 1000.00 1
++6.89970000E+00+3.76640500E-02-1.42499000E-05+2.45139600E-09-1.59215300E-13 2
+-1.04378100E+03-7.96692700E+00-4.15304900E+00+7.76998800E-02-5.83028700E-05 3
++1.78677900E-08-5.36299700E-13+8.96696700E+02+4.53288900E+01 4
+HOC6H4CH2OO O 3C 7H 7 G 300.00 5000.00 1000.00 1
++1.01717500E+01+3.94680300E-02-1.47126400E-05+2.50500000E-09-1.61537000E-13 2
+-1.30210900E+04-1.93176200E+01-4.80341700E+00+9.42375400E-02-7.67917700E-05 3
++2.64171400E-08-1.81943100E-12-1.03841000E+04+5.28409600E+01 4
+HOC6H4CH2O C 7O 2H 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+RODC6JDO C 6H 5O 2 G 300.00 5000.00 1400.00 1
++1.78077666E+01+1.57342093E-02-5.31173367E-06+8.17819899E-10-4.71852395E-14 2
+-5.54991746E+03-6.95659926E+01+3.37183470E-01+6.11551836E-02-5.11124475E-05 3
++2.19526855E-08-3.78092218E-12+6.99211714E+00+2.25447460E+01 4
+OXCCXCCJXO H 3C 4O 2 G 300.00 5000.00 1394.00 1
++1.51222766E+01+7.86855773E-03-2.79188673E-06+4.44279496E-10-2.62250597E-14 2
+-1.75413346E+04-5.12157742E+01+4.04651808E-01+4.93578716E-02-4.86244463E-05 3
++2.35936197E-08-4.46549958E-12-1.31321917E+04+2.53224744E+01 4
+BICPD H 10C 10 G 300.00 5000.00 1390.00 1
++2.37376593E+01+3.04584890E-02-1.08284032E-05+1.72545836E-09-1.01947418E-13 2
++1.46634901E+04-1.07726856E+02-2.04390488E+01+1.33899523E-01-1.01916956E-04 3
++3.75374041E-08-5.40373749E-12+2.97634367E+04+1.29084476E+02 4
+C6JYOO C 6H 5O 2 G 300.00 5000.00 1402.00 1
++1.89067274E+01+1.53069535E-02-5.27402706E-06+8.23188147E-10-4.79482227E-14 2
++2.07181075E+04-7.69479534E+01-4.30389058E+00+7.94079577E-02-7.40991946E-05 3
++3.45047697E-08-6.31020034E-12+2.77342644E+04+4.41091500E+01 4
+CY13PD C 5H 6 G 300.00 5000.00 1400.00 1
++1.26467216E+01+1.54049138E-02-5.27976433E-06+8.21090156E-10-4.77026129E-14 2
++9.23782306E+03-4.78698742E+01-4.88591070E+00+6.00252758E-02-4.92777757E-05 3
++2.06970535E-08-3.49397891E-12+1.49171729E+04+4.49199697E+01 4
+C6H5OH C 6O 1H 6 G 300.00 5000.00 1397.00 1
++1.71524986E+01+1.60438540E-02-5.46325607E-06+8.46545276E-10-4.90760276E-14 2
+-1.94633414E+04-6.96841718E+01-4.48630945E+00+7.22845991E-02-6.19803619E-05 3
++2.67795393E-08-4.60013317E-12-1.26013373E+04+4.43727892E+01 4
+STYR C 8H 8 G 300.00 5000.00 1396.00 1
++1.92249323E+01+2.22832599E-02-7.68595290E-06+1.20019881E-09-6.99204017E-14 2
++8.14911011E+03-7.98072202E+01-4.56741365E+00+8.21076898E-02-6.62823107E-05 3
++2.76564392E-08-4.67898025E-12+1.59757463E+04+4.64480792E+01 4
+DICYPD H 12C 10 G 300.00 5000.00 1392.00 1
++2.39749595E+01+3.52708288E-02-1.24700883E-05+1.97979508E-09-1.16678757E-13 2
++8.62179832E+03-1.09672463E+02-2.26739692E+01+1.42960823E-01-1.05472660E-04 3
++3.76048718E-08-5.21352920E-12+2.47285806E+04+1.40949486E+02 4
+CYC5H9 C 5H 9 G 300.00 5000.00 1378.00 1
++1.24946381E+01+2.23549938E-02-7.51362241E-06+1.15415415E-09-6.65065318E-14 2
++6.45390040E+03-4.65796398E+01-5.78089755E+00+5.92878731E-02-3.26281412E-05 3
++7.06409844E-09-1.75407888E-13+1.32581249E+04+5.34176945E+01 4
+BICPDJ C 10H 9 G 300.00 5000.00 1399.00 1
++2.45083550E+01+2.64757146E-02-9.27286602E-06+1.46300495E-09-8.58478665E-14 2
++3.23863450E+04-1.13439904E+02-1.34109066E+01+1.24639346E-01-1.07874970E-04 3
++4.68295361E-08-8.08624375E-12+4.44966038E+04+8.66451589E+01 4
+CXCC(C#C)XC C 6H 6 G 300.00 5000.00 1387.00 1
++1.51766669E+01+1.55012362E-02-5.43228931E-06+8.57195296E-10-5.02984330E-14 2
++3.25609626E+04-5.54334104E+01-3.81178233E-01+5.40352836E-02-4.34005262E-05 3
++1.84672859E-08-3.24815225E-12+3.78339571E+04+2.74962665E+01 4
+CYPDONE O 1C 5H 4 G 300.00 5000.00 1397.00 1
++1.43779472E+01+1.19184228E-02-4.19444268E-06+6.63874349E-10-3.90411169E-14 2
+-3.12321247E+03-5.61146171E+01-4.15438982E+00+6.11975086E-02-5.52982224E-05 3
++2.49740399E-08-4.46438553E-12+2.68411141E+03+4.12432368E+01 4
+HCOCJXO C 2H 1O 2 G 300.00 5000.00 1413.00 1
++9.56248658E+00+2.73668655E-03-1.00178635E-06+1.62732634E-10-9.74372616E-15 2
+-3.22485394E+03-2.52197723E+01+3.00486696E-01+2.77038168E-02-2.66618100E-05 3
++1.20343295E-08-2.08589886E-12-4.23731341E+02+2.32044967E+01 4
+CYC5H5OJ O 1C 5H 5 G 300.00 5000.00 1395.00 1
++1.49127777E+01+1.36359024E-02-4.70831344E-06+7.36265120E-10-4.29509412E-14 2
++1.43674328E+04-5.69669820E+01-4.18680099E+00+6.25530448E-02-5.31527440E-05 3
++2.26755263E-08-3.85181289E-12+2.05050843E+04+4.39771791E+01 4
+CYC5H5OH O 1C 5H 6 G 300.00 5000.00 1398.00 1
++1.53433477E+01+1.50754059E-02-5.13553582E-06+7.95807816E-10-4.61311517E-14 2
+-1.19645453E+04-5.85204430E+01-4.26822012E+00+6.62446749E-02-5.68494038E-05 3
++2.46858526E-08-4.26820696E-12-5.75581338E+03+4.47962850E+01 4
+CYC5H4OH O 1C 5H 5 G 300.00 5000.00 1409.00 1
++1.64571358E+01+1.14589263E-02-3.86643522E-06+5.95873719E-10-3.44277590E-14 2
++9.37609019E+02-6.38874692E+01-5.73477597E+00+7.32209786E-02-6.98649600E-05 3
++3.24462652E-08-5.84437946E-12+7.50649045E+03+5.15348696E+01 4
+CPDJONE O 1H 3C 5 G 300.00 5000.00 1394.00 1
++1.37920307E+01+9.94676171E-03-3.53224669E-06+5.62416803E-10-3.32119217E-14 2
++2.82749422E+04-5.06039865E+01-2.97900157E+00+5.40428052E-02-4.87013197E-05 3
++2.18001279E-08-3.86113970E-12+3.35757242E+04+3.76713392E+01 4
+CXCCXCXO O 1H 4C 4 G 300.00 5000.00 1401.00 1
++1.32918890E+01+9.42783712E-03-3.23329764E-06+5.02853718E-10-2.92089737E-14 2
+-4.65486164E+03-4.48053204E+01-1.74329010E-01+4.99882693E-02-5.08353583E-05 3
++2.57383902E-08-5.04416081E-12-8.53247629E+02+2.43466973E+01 4
+CJXCCXCXO H 3O 1C 4 G 300.00 5000.00 1401.00 1
++1.37273605E+01+6.55159611E-03-2.25016948E-06+3.50319189E-10-2.03642753E-14 2
++2.53422200E+04-4.50044906E+01+1.46891560E+00+4.57117267E-02-5.03333351E-05 3
++2.66604935E-08-5.36154380E-12+2.85841219E+04+1.71604226E+01 4
+CXCCCJXO O 1H 5C 4 G 300.00 5000.00 1389.00 1
++1.18646590E+01+1.28852832E-02-4.45460888E-06+6.96613045E-10-4.06215490E-14 2
++3.86344452E+03-3.32989999E+01+9.34300027E-01+3.77751824E-02-2.61384581E-05 3
++9.34041036E-09-1.37598294E-12+7.74223639E+03+2.56636231E+01 4
+CXCCCO2J H 5C 4O 2 G 300.00 5000.00 1394.00 1
++1.31014888E+01+1.43653801E-02-4.96097546E-06+7.75190740E-10-4.51773635E-14 2
+-2.14556874E+04-4.32632704E+01-9.25534522E-01+5.02116403E-02-4.11514066E-05 3
++1.77825411E-08-3.14006631E-12-1.68498468E+04+3.10498181E+01 4
+OXCCXCCXO H 4C 4O 2 G 300.00 5000.00 1385.00 1
++1.46191433E+01+1.09193238E-02-3.86206176E-06+6.13272282E-10-3.61465924E-14 2
+-2.90816690E+04-5.08276975E+01+1.17740159E+00+4.23067551E-02-3.18408983E-05 3
++1.19690116E-08-1.81063004E-12-2.44288948E+04+2.13417216E+01 4
+OXCCXCCJCXO C 5H 5O 2 G 300.00 5000.00 1387.00 1
++1.79529662E+01+1.28543987E-02-4.55161528E-06+7.23280909E-10-4.26505626E-14 2
+-1.67778521E+04-6.37516991E+01+7.35946673E-01+5.61552852E-02-4.72529312E-05 3
++2.02637362E-08-3.51021540E-12-1.10881475E+04+2.76556378E+01 4
+CXOCXCCJ O 1H 5C 4 G 300.00 5000.00 1386.00 1
++1.35956195E+01+1.16987504E-02-4.10942758E-06+6.49516590E-10-3.81570959E-14 2
+-3.53249337E+03-4.49691187E+01+1.01071252E+00+4.22707983E-02-3.32803885E-05 3
++1.36479906E-08-2.30337936E-12+7.60368602E+02+2.22717669E+01 4
+C4H4 H 4C 4 G 300.00 5000.00 1394.00 1
++1.13259548E+01+8.69029526E-03-3.01310685E-06+4.72292345E-10-2.75912745E-14 2
++2.92384960E+04-3.62133803E+01+6.44973158E-02+3.74334710E-02-3.15026118E-05 3
++1.34374217E-08-2.29593307E-12+3.28828571E+04+2.33661962E+01 4
+NC4H5 H 5C 4 G 300.00 5000.00 1404.00 1
++1.15652616E+01+1.06404457E-02-3.59727110E-06+5.54155444E-10-3.19775833E-14 2
++3.71172540E+04-3.68561710E+01-4.44602469E-01+4.37466778E-02-3.92100238E-05 3
++1.80553180E-08-3.30215917E-12+4.07702054E+04+2.58307446E+01 4
+C6H5CH2OOJ C 7O 2H 7 G 300.00 5000.00 1389.00 1
++2.18946260E+01+2.02701494E-02-7.14525361E-06+1.13208570E-09-6.66220534E-14 2
++3.93272947E+03-8.95685129E+01-3.77863659E+00+8.29484718E-02-6.64288143E-05 3
++2.69504875E-08-4.41844689E-12+1.25603231E+04+4.73269747E+01 4
+C6H5CH2OOH H 8C 7O 2 G 300.00 5000.00 1390.00 1
++2.21951256E+01+2.19901041E-02-7.70452728E-06+1.21574282E-09-7.13427270E-14 2
+-1.43966742E+04-9.07483698E+01-3.39515159E+00+8.45306884E-02-6.70634097E-05 3
++2.72113250E-08-4.48289693E-12-5.78730853E+03+4.57078979E+01 4
+C6H5CH2OJ O 1C 7H 7 G 300.00 5000.00 1392.00 1
++1.78843033E+01+2.09011735E-02-7.21832713E-06+1.12839851E-09-6.57955260E-14 2
++4.93182818E+03-7.01304667E+01-4.77736690E+00+7.51049308E-02-5.68532831E-05 3
++2.18290029E-08-3.38134298E-12+1.26234438E+04+5.10429366E+01 4
+C6H5CH2OH H 8O 1C 7 G 300.00 5000.00 1393.00 1
++1.83336336E+01+2.24113846E-02-7.68817710E-06+1.19642445E-09-6.95416019E-14 2
+-2.13970553E+04-7.22444987E+01-4.04500885E+00+7.57965615E-02-5.64777639E-05 3
++2.15225418E-08-3.32436586E-12-1.37783634E+04+4.74803479E+01 4
+C6H5CHOH O 1C 7H 7 G 300.00 5000.00 1000.00 1
++1.10916900E+01+2.91489900E-02-9.94121800E-06+1.59095300E-09-9.83267800E-14 2
+-1.09936500E+03-3.08502700E+01-4.21250300E+00+6.96509300E-02-4.45851100E-05 3
++1.06346900E-08+3.04416100E-13+3.16033900E+03+4.85720900E+01 4
+C6H5CHO O 1C 7H 6 G 300.00 5000.00 1382.00 1
++1.75038056E+01+1.87911370E-02-6.51897523E-06+1.02244104E-09-5.97629759E-14 2
+-1.31835944E+04-6.88975598E+01-2.70517666E+00+6.46821582E-02-4.57286415E-05 3
++1.60322213E-08-2.23734122E-12-6.07344750E+03+4.00414090E+01 4
+HOC6H4CH2OOH O 3H 8C 7 G 300.00 5000.00 1000.00 1
++7.88027100E+00+4.67628100E-02-1.89452100E-05+3.41966600E-09-2.29759600E-13 2
+-2.97336900E+04-5.31768000E+00-3.36266000E+00+8.95720000E-02-6.41731800E-05 3
++1.48659200E-08+1.92278400E-12-2.81114400E+04+4.77969600E+01 4
+HOC6H4CHO C 7H 6O 2 G 300.00 5000.00 1000.00 1
++2.62334800E+01+1.24670600E-02-3.89098200E-06+5.83986400E-10-3.44906100E-14 2
+-3.76834700E+04-1.14001200E+02-2.39067100E+00+7.42054400E-02-4.47424600E-05 3
++6.98287300E-09+1.29444200E-12-2.81768500E+04+3.99495800E+01 4
+HOC6H4CO C 7H 5O 2 G 300.00 5000.00 1000.00 1
++2.58607900E+01+9.51442600E-03-2.34844500E-06+2.96051100E-10-1.54419000E-14 2
+-2.00400600E+04-1.12016700E+02-1.36522300E+00+6.25370000E-02-2.72812200E-05 3
+-4.86179000E-09+4.27317200E-12-1.05826700E+04+3.61448500E+01 4
+C6H4OH C 6O 1H 5 G 300.00 5000.00 1000.00 1
++1.37678200E+01+1.63887900E-02-4.90987000E-06+7.15302000E-10-4.13697500E-14 2
++1.19603000E+04-4.68720800E+01-1.95633600E+00+5.68489700E-02-3.56009400E-05 3
++4.00054100E-09+2.61905800E-12+1.63313300E+04+3.48717300E+01 4
+C6H5O2 C 6H 5O 2 G 300.00 5000.00 1403.00 1
++1.82202607E+01+1.59152200E-02-5.48905745E-06+8.57266857E-10-4.99524398E-14 2
++9.64321495E+03-7.27017378E+01-4.10418376E+00+7.56653434E-02-6.75616707E-05 3
++3.03037283E-08-5.37747223E-12+1.65682233E+04+4.43854600E+01 4
+C6H6 C 6H 6 G 300.00 5000.00 1390.00 1
++1.38672847E+01+1.74152368E-02-6.08383755E-06+9.58140923E-10-5.61503296E-14 2
++2.59989001E+03-5.68524653E+01-5.18689051E+00+6.30511006E-02-4.82874623E-05 3
++1.89015490E-08-3.01017276E-12+9.09950343E+03+4.50744831E+01 4
+CY13PD5J C 5H 5 G 300.00 5000.00 1403.00 1
++1.35569720E+01+1.22914133E-02-4.25209533E-06+6.65536380E-10-3.88428452E-14 2
++2.21734660E+04-5.31109915E+01-5.44117341E+00+6.32470657E-02-5.71657025E-05 3
++2.57052547E-08-4.55247216E-12+2.80395761E+04+4.64652136E+01 4
+C6H5OJ C 6O 1H 5 G 300.00 5000.00 1401.00 1
++1.59513173E+01+1.52837431E-02-5.26838909E-06+8.22485253E-10-4.79122756E-14 2
+-1.56782534E+03-6.22003421E+01-4.56101748E+00+6.98936182E-02-6.18066353E-05 3
++2.76045454E-08-4.89409696E-12+4.83671356E+03+4.55069524E+01 4
+FULVENE C 6H 6 G 300.00 3000.00 1000.00 1
++5.50993880E+00+3.38799360E-02-1.77370710E-05+4.47692840E-09-4.41273720E-13 2
++2.49218710E+04-6.77574890E+00-5.60963070E+00+7.30647570E-02-7.03269230E-05 3
++3.65804490E-08-8.02019310E-12+2.74688850E+04+4.83391780E+01 4
+CYC5H8 H 8C 5 G 300.00 5000.00 1398.00 1
++1.27525879E+01+2.01602949E-02-6.86564327E-06+1.06303695E-09-6.15663048E-14 2
+-3.09810152E+03-4.85501459E+01-5.44615258E+00+6.33154620E-02-4.59351514E-05 3
++1.71229729E-08-2.58907474E-12+3.11839629E+03+4.88944865E+01 4
+CH2CY24PD C 6H 7 G 300.00 5000.00 1402.00 1
++1.55519752E+01+1.77085606E-02-6.09452317E-06+9.50211121E-10-5.52948378E-14 2
++2.85170008E+04-6.03503431E+01-6.08820883E+00+7.61402462E-02-6.77566170E-05 3
++3.07797975E-08-5.56356102E-12+3.52270912E+04+5.30465780E+01 4
+CYC6H7 C 6H 7 G 300.00 5000.00 1397.00 1
++1.45807530E+01+1.90472668E-02-6.57818915E-06+1.02815839E-09-5.99380191E-14 2
++1.73949036E+04-5.69992223E+01-6.01550859E+00+6.95380134E-02-5.43113522E-05 3
++2.16857946E-08-3.50034432E-12+2.42697461E+04+5.27055540E+01 4
+CXCCXCCJ C 5H 7 G 300.00 5000.00 1384.00 1
++1.46398802E+01+1.60860417E-02-5.66411056E-06+8.96640460E-10-5.27310389E-14 2
++1.74224568E+04-5.37942559E+01-1.95534763E+00+5.58644649E-02-4.32573342E-05 3
++1.75877736E-08-2.96850177E-12+2.31644590E+04+3.51104649E+01 4
+LINC6H7 C 6H 7 G 300.00 5000.00 1405.00 1
++1.76225860E+01+1.51976235E-02-5.15602211E-06+7.96188268E-10-4.60220066E-14 2
++4.12781421E+04-6.76880771E+01-1.68717680E+00+6.97442629E-02-6.51384982E-05 3
++3.08028076E-08-5.72894955E-12+4.70145566E+04+3.26256051E+01 4
+CXCCXCC H 8C 5 G 300.00 5000.00 1395.00 1
++1.39047758E+01+1.85254792E-02-6.33885215E-06+9.84235261E-10-5.71027672E-14 2
++2.34402554E+03-4.99031649E+01-1.21646871E+00+5.69593952E-02-4.51457671E-05 3
++1.93100960E-08-3.41706203E-12+7.35790640E+03+3.03267214E+01 4
+CH3CY24PD C 6H 8 G 300.00 5000.00 1399.00 1
++1.58460057E+01+2.00902785E-02-6.93497016E-06+1.08339840E-09-6.31318908E-14 2
++3.42821098E+03-6.44405101E+01-6.05214392E+00+7.63737263E-02-6.34619690E-05 3
++2.72515023E-08-4.72538827E-12+1.05143031E+04+5.13368383E+01 4
+CYC5H7U1 C 5H 7 G 300.00 5000.00 1405.00 1
++1.33514589E+01+1.73652174E-02-5.95660177E-06+9.26668595E-10-5.38430106E-14 2
++1.31128783E+04-4.88977074E+01-6.16539988E+00+6.79149320E-02-5.67945533E-05 3
++2.43460812E-08-4.18641918E-12+1.93507391E+04+5.40864245E+01 4
+CXCCJCXC C 5H 7 G 300.00 5000.00 1390.00 1
++1.39097710E+01+1.65297050E-02-5.77689959E-06+9.09959248E-10-5.33301641E-14 2
++1.77407637E+04-5.03915802E+01-3.09633318E+00+5.77446981E-02-4.48246625E-05 3
++1.81069620E-08-3.00618556E-12+2.35345666E+04+4.04767446E+01 4
+OXCJCXCCXC O 1C 5H 5 G 300.00 5000.00 1396.00 1
++1.57951346E+01+1.22287902E-02-4.25808029E-06+6.69079450E-10-3.91463632E-14 2
++8.39905638E+03-5.70349813E+01-1.49985884E+00+6.17452976E-02-6.00826860E-05 3
++2.94552442E-08-5.66128550E-12+1.35479925E+04+3.27086508E+01 4
+CJXCCXO H 3O 1C 3 G 300.00 5000.00 1402.00 1
++1.07482537E+01+6.19822688E-03-2.06130981E-06+3.14418872E-10-1.80309517E-14 2
++1.51410162E+04-3.01266033E+01+1.46654466E+00+3.23390476E-02-3.05588208E-05 3
++1.44081861E-08-2.65600505E-12+1.78850058E+04+1.80850321E+01 4
+HCOHCO C 2H 2O 2 G 300.00 5000.00 1386.00 1
++9.75438561E+00+4.97645947E-03-1.74410483E-06+2.75586994E-10-1.61969892E-14 2
+-2.95832896E+04-2.61878329E+01+1.88105120E+00+2.36386368E-02-1.83443295E-05 3
++6.84842963E-09-9.92733674E-13-2.69280190E+04+1.59154793E+01 4
+CPDOOH C 5H 6O 2 G 300.00 5000.00 1397.00 1
++1.90879305E+01+1.47694351E-02-5.19152626E-06+8.21019611E-10-4.82550028E-14 2
+-5.53511312E+03-7.56064355E+01-4.18453798E+00+7.77836558E-02-7.18699521E-05 3
++3.31691427E-08-6.04024361E-12+1.65907623E+03+4.62765275E+01 4
+OXCCXCCXCJ O 1C 5H 5 G 300.00 5000.00 1399.00 1
++1.63539852E+01+1.15730003E-02-3.99065616E-06+6.22954543E-10-3.62805238E-14 2
++1.94320029E+04-5.92079822E+01-8.98792284E-02+6.02166232E-02-6.03090093E-05 3
++3.02148406E-08-5.88608835E-12+2.41674700E+04+2.55574705E+01 4
+CXOCCCJCXO C 5O 2H 7 G 300.00 5000.00 1359.00 1
++1.67495698E+01+1.76002589E-02-5.98916805E-06+9.27650094E-10-5.37629506E-14 2
+-2.14460869E+04-5.28247697E+01+5.70045881E+00+3.60712265E-02-1.38686845E-05 3
+-7.62072050E-11+8.31375090E-13-1.68594701E+04+9.14837948E+00 4
+CXOCCCJXO H 5C 4O 2 G 300.00 5000.00 1369.00 1
++1.39398821E+01+1.30768500E-02-4.49050064E-06+6.99619378E-10-4.07081554E-14 2
+-2.21572650E+04-4.08348854E+01+5.26873651E+00+2.96232020E-02-1.54390995E-05 3
++3.50877521E-09-2.31149542E-13-1.87116524E+04+7.15918873E+00 4
+CXOCCCXO H 6C 4O 2 G 300.00 5000.00 1371.00 1
++1.44406255E+01+1.50487556E-02-5.13967301E-06+7.97895590E-10-4.63122524E-14 2
+-4.11449658E+04-4.58917536E+01+4.48171350E+00+3.44515192E-02-1.84600554E-05 3
++4.48418420E-09-3.58800501E-13-3.72374921E+04+9.07149396E+00 4
+C14H14 H 14C 14 G 300.00 3000.00 1000.00 1
++1.83724860E+01+6.06470630E-02-2.15506390E-05+2.54284330E-09+0.00000000E+00 2
++5.18516080E+03-6.59251180E+01-8.14781700E+00+1.30620600E-01-8.19367560E-05 3
++1.94757260E-08+0.00000000E+00+1.26141800E+04+7.18458700E+01 4
+C14H13 H 13C 14 G 300.00 5000.00 1000.00 1
++2.99291000E+01+3.83042200E-02-1.18663300E-05+1.77305900E-09-1.04476700E-13 2
++1.97099600E+04-1.31713300E+02-7.66215500E+00+1.33505200E-01-9.73103200E-05 3
++3.42829900E-08-4.78937100E-12+3.09915700E+04+6.58134800E+01 4
+STYLBEN H 12C 14 G 300.00 3000.00 1000.00 1
++2.68497500E+01+4.28429300E-02-1.50785000E-05+2.46643600E-09-1.54717900E-13 2
++1.64217700E+04-1.17418300E+02-7.92701200E+00+1.32075300E-01-8.81173300E-05 3
++1.90952300E-08+1.76879600E-12+2.63867200E+04+6.40743300E+01 4
+XYLENE C 8H 10 G 300.00 5000.00 1000.00 1
++1.66478700E+01+2.90357700E-02-9.78133800E-06+1.55180600E-09-9.53331200E-14 2
+-6.29562100E+03-6.50455900E+01-3.34551000E+00+7.43882600E-02-4.17868200E-05 3
++7.01958400E-09+1.06597900E-12+9.08072600E+01+4.16011600E+01 4
+IND C 9H 8 G 300.00 5000.00 1398.00 1
++2.05650080E+01+2.40327712E-02-8.27638045E-06+1.29145387E-09-7.52114721E-14 2
++9.12366072E+03-8.95735971E+01-7.28231243E+00+9.11988088E-02-6.98829415E-05 3
++2.68064158E-08-4.09653374E-12+1.84576190E+04+5.90250983E+01 4
+NAPH H 8C 10 G 300.00 5000.00 1400.00 1
++2.35897511E+01+2.43823788E-02-8.47570474E-06+1.33051182E-09-7.77992813E-14 2
++6.53423379E+03-1.12133982E+02-8.84119851E+00+1.09328196E-01-9.50844165E-05 3
++4.18320252E-08-7.33414017E-12+1.68163789E+04+5.86791942E+01 4
+CXOCCXO O 2C 3H 4 G 300.00 5000.00 1380.00 1
++1.13146955E+01+1.09826045E-02-3.83865503E-06+6.04745993E-10-3.54478774E-14 2
+-3.68456705E+04-3.10905302E+01+1.79852184E+00+3.04274142E-02-1.78928318E-05 3
++4.68680660E-09-3.88605902E-13-3.32645409E+04+2.10026410E+01 4
+CPDCXC H 8C 7 G 300.00 5000.00 1402.00 1
++1.78678776E+01+2.08230902E-02-7.16659653E-06+1.11739206E-09-6.50251109E-14 2
++1.53285313E+04-7.26513565E+01-6.71194396E+00+8.59702829E-02-7.45644868E-05 3
++3.31169868E-08-5.87901139E-12+2.30640302E+04+5.65691171E+01 4
+DHCO2J O 4C 2H 1 G 300.00 5000.00 1532.00 1
++1.47334267E+01+3.34959530E-03-1.42099386E-06+2.53086489E-10-1.61179731E-14 2
+-3.72813816E+04-4.36581652E+01+8.80178445E+00+4.94190735E-03+1.15926744E-05 3
+-1.20950072E-08+3.13319590E-12-3.39707062E+04-7.40191130E+00 4
+FULVENYL C 6H 5 G 300.00 5000.00 1400.00 1
++1.49733861E+01+1.31279548E-02-4.43931566E-06+6.85048173E-10-3.96115173E-14 2
++5.04662708E+04-5.79946013E+01-3.37529649E+00+5.92300122E-02-4.85540402E-05 3
++1.97350757E-08-3.16400675E-12+5.63897813E+04+3.91932238E+01 4
+C6H5 C 6H 5 G 200.00 6000.00 1000.00 1
++1.08444762E+01+1.73212473E-02-6.29233249E-06+1.02369961E-09-6.16216828E-14 2
++3.55598475E+04-3.53735134E+01+2.10306633E-01+2.04745507E-02+5.89743006E-05 3
+-1.01534255E-07+4.47105660E-11+3.95468722E+04+2.52910455E+01 4
+CPDJCH3 C 6H 7 G 300.00 5000.00 1400.00 1
++1.67719080E+01+1.69553299E-02-5.89878767E-06+9.26452584E-10-5.41901391E-14 2
++1.51931941E+04-6.88571619E+01-6.89848650E+00+8.10196607E-02-7.36595148E-05 3
++3.37792196E-08-6.13407967E-12+2.25152042E+04+5.51218056E+01 4
+C6H4CH3 C 7H 7 G 300.00 5000.00 1000.00 1
++1.35915500E+01+2.24186700E-02-7.13697000E-06+1.08734600E-09-6.49369100E-14 2
++2.88194800E+04-4.80782900E+01-3.53983800E+00+6.11194400E-02-3.16055200E-05 3
++1.04280700E-09+2.86556900E-12+3.41817000E+04+4.30769000E+01 4
+C6H5CJO O 1C 7H 5 G 300.00 5000.00 1382.00 1
++1.77196103E+01+1.59990428E-02-5.54532150E-06+8.69582681E-10-5.08335220E-14 2
++4.57408086E+03-6.82553109E+01-1.93001550E+00+6.18799970E-02-4.60916515E-05 3
++1.70133701E-08-2.49869948E-12+1.13352170E+04+3.71779131E+01 4
+YOC6JDO C 6H 5O 2 G 300.00 5000.00 1402.00 1
++1.81847303E+01+1.59592345E-02-5.50687389E-06+8.60288089E-10-5.01370012E-14 2
+-1.42411225E+04-7.17061777E+01-2.92236719E+00+7.15580542E-02-6.23775751E-05 3
++2.74733056E-08-4.81161079E-12-7.59776622E+03+3.93242583E+01 4
+CXOCJCXO H 3C 3O 2 G 300.00 5000.00 1388.00 1
++1.15553127E+01+8.26541096E-03-2.90883856E-06+4.60361477E-10-2.70704715E-14 2
+-1.53011324E+04-3.02788743E+01+1.73207262E+00+3.21117881E-02-2.54057019E-05 3
++1.02703474E-08-1.68852228E-12-1.19752646E+04+2.21677180E+01 4
+C6H5C2H5 C 8H 10 G 300.00 3000.00 1000.00 1
++3.87897800E+00+5.81005900E-02-3.19638000E-05+8.44899300E-09-8.69482500E-13 2
+-5.02492200E+02+3.82393600E+00-7.26684500E+00+1.00308900E-01-9.65171500E-05 3
++5.56590800E-08-1.45337000E-11+1.98729000E+03+5.85643000E+01 4
+C12H10 H 10C 12 G 300.00 5000.00 1000.00 1
++2.42890170E+01+3.40066480E-02-1.17224080E-05+1.77292980E-09-9.68125320E-14 2
++1.02870000E+04-1.08023740E+02-4.07395270E+00+8.69733100E-02-4.23536130E-06 3
+-6.45644600E-08+3.41501690E-11+1.94059650E+04+4.47413480E+01 4
+PHCCHPH H 11C 14 G 300.00 5000.00 1000.00 1
++2.71759500E+01+3.79553000E-02-1.22651100E-05+1.88881600E-09-1.13649300E-13 2
++4.01034600E+04-1.18216700E+02-7.37688200E+00+1.26701900E-01-8.77666000E-05 3
++2.36557000E-08-5.88418700E-13+5.01033800E+04+6.23330000E+01 4
+O2C6H4CH3 C 7O 2H 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+RODC6J(C)DO C 7O 2H 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+OCCXCCXCJC C 6O 1H 7 G 300.00 5000.00 1000.00 1
++5.04970100E+00+3.87918600E-02-1.53206600E-05+2.71712600E-09-1.80337300E-13 2
++1.97598400E+04+7.77227800E+00+2.96031500E-01+5.58237700E-02-3.63319400E-05 3
++1.32263700E-08-1.97858300E-12+2.07336500E+04+3.10296800E+01 4
+C6H4 C 6H 4 G 300.00 5000.00 1000.00 1
++1.36143500E+01+1.50269800E-02-6.02561500E-06+1.07986200E-09-7.21888300E-14 2
++3.73144700E+04-4.93064800E+01-3.25250900E+00+6.30375700E-02-4.88828900E-05 3
++1.14479600E-08+1.25205300E-12+4.16049100E+04+3.68365700E+01 4
+CJCXCC#C C 5H 5 G 300.00 5000.00 1000.00 1
++1.35987900E+01+1.05204700E-02-2.79274500E-06+3.73080600E-10-2.03463900E-14 2
++4.08026600E+04-4.50055700E+01+2.01665900E-01+4.72146500E-02-4.01166500E-05 3
++1.75865500E-08-3.20822000E-12+4.46282100E+04+2.45654100E+01 4
+CXCCXCCOH O 1H 8C 5 G 300.00 5000.00 1000.00 1
+-1.37624700E+01+6.83528400E-02-3.14797100E-05+6.22249600E-09-4.46343600E-13 2
+-3.55277700E+03+1.09914200E+02-2.72651700E+00+6.99972500E-02-5.72736000E-05 3
++1.82124700E-08+4.94372800E-13-9.99861400E+03+4.07012000E+01 4
+OC6H4CH2 O 1C 7H 6 G 300.00 5000.00 1000.00 1
++1.24204756E+01+2.70171830E-02-1.09476851E-05+2.02705529E-09-1.40757462E-13 2
++4.49159466E+02-4.10236260E+01-6.21979546E-01+5.14918065E-02-6.11682462E-06 3
+-2.88887155E-08+1.45119845E-11+4.44241036E+03+2.88224802E+01 4
+CR1 C 11H 14 G 300.00 5000.00 1000.00 1
++2.42794900E+01+3.92779300E-02-1.30558300E-05+2.05291800E-09-1.25404600E-13 2
+-2.23530900E+03-1.00739800E+02-5.00426800E+00+1.10945100E-01-6.88875700E-05 3
++1.39681200E-08+1.38654600E-12+6.54423100E+03+5.34441100E+01 4
+CR2 C 11H 13 G 300.00 5000.00 1000.00 1
++2.50582400E+01+3.43152500E-02-1.04203000E-05+1.53664900E-09-8.98238000E-14 2
++1.45021900E+04-1.03376100E+02-4.58397600E+00+1.10883200E-01-8.08779400E-05 3
++2.91848700E-08-4.21307100E-12+2.32589100E+04+5.18607300E+01 4
+CR3 H 10C 9 G 300.00 5000.00 1000.00 1
++1.86800800E+01+3.01691200E-02-1.02430100E-05+1.63316800E-09-1.00631100E-13 2
++4.57739500E+03-7.38252400E+01-2.35837400E+00+7.99619000E-02-4.83615900E-05 3
++1.05594800E-08+3.19990800E-13+1.11099500E+04+3.76891900E+01 4
+CR4 H 10C 9 G 300.00 5000.00 1000.00 1
++1.71276600E+01+3.23971000E-02-1.12437200E-05+1.82098200E-09-1.13438000E-13 2
++7.91369300E+03-6.51888000E+01-4.55772400E+00+8.47433400E-02-5.13041200E-05 3
++9.99644600E-09+1.08846500E-12+1.44951800E+04+4.92668600E+01 4
+CR5 H 12C 10 G 300.00 5000.00 1000.00 1
++1.97434500E+01+3.73130400E-02-1.28029100E-05+2.05554600E-09-1.27209100E-13 2
++2.59364500E+03-7.78589000E+01-5.52268800E+00+1.00548100E-01-6.39515100E-05 3
++1.44123100E-08+6.71828400E-13+1.00428100E+04+5.46940100E+01 4
+C10H10 H 10C 10 G 300.00 5000.00 1000.00 1
++2.24585300E+01+2.98982400E-02-1.02424500E-05+1.64272900E-09-1.01594100E-13 2
++4.61718000E+03-1.10181900E+02-3.37959900E+00+9.27962500E-02-5.91911200E-05 3
++1.23730300E-08+1.03626400E-12+1.24123800E+04+2.60167000E+01 4
+C10H9 C 10H 9 G 300.00 5000.00 1000.00 1
++2.42293900E+01+2.37029600E-02-7.09346000E-06+1.03581400E-09-6.01751500E-14 2
++1.95099300E+04-1.18237400E+02-2.42912400E+00+8.79982900E-02-5.68390900E-05 3
++1.22281800E-08+8.47450100E-13+2.76230400E+04+2.25328200E+01 4
+C14H13OO O 2H 13C 14 G 300.00 5000.00 1393.00 1
++3.82107651E+01+3.84977641E-02-1.34898012E-05+2.12875101E-09-1.24923370E-13 2
++3.86242489E+03-1.75065173E+02-9.38658087E+00+1.59326499E-01-1.33478336E-04 3
++5.72138908E-08-9.89376100E-12+1.94401630E+04+7.71668433E+01 4
+C6H5C2H2 C 8H 7 G 300.00 5000.00 1000.00 1
++1.44702300E+01+2.41055500E-02-7.70060600E-06+1.17761700E-09-7.05898500E-14 2
++3.45238100E+04-5.20912600E+01-1.81130500E+00+6.04266700E-02-2.73604300E-05 3
+-4.10051300E-09+4.82873100E-12+3.95377400E+04+3.44209800E+01 4
+PHENA H 10C 14 G 200.00 6000.00 1000.00 1
++2.55171870E+01+3.93727940E-02-1.23155080E-05+1.27852800E-09+0.00000000E+00 2
++1.31224040E+04-1.15618420E+02-9.09474100E+00+1.31333800E-01-9.24017290E-05 3
++2.40156710E-08+0.00000000E+00+2.27649500E+04+6.39753600E+01 4
+C6H5C2H4P C 8H 9 G 300.00 5000.00 1396.00 1
++1.98006146E+01+2.35734350E-02-8.05910269E-06+1.25128895E-09-7.26159594E-14 2
++1.81887791E+04-8.09253099E+01-4.93727507E+00+8.45456396E-02-6.60178082E-05 3
++2.64632371E-08-4.29041682E-12+2.64052796E+04+5.07102875E+01 4
+C6H5C2H4S C 8H 9 G 300.00 5000.00 1396.00 1
++1.98317067E+01+2.40092964E-02-8.21876729E-06+1.27726062E-09-7.41731462E-14 2
++1.12688528E+04-8.51819715E+01-6.01558728E+00+8.73954364E-02-6.79894752E-05 3
++2.70035345E-08-4.32578144E-12+1.98726473E+04+5.24486881E+01 4
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! AA THERMO !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+N2 N 2 G 200.00 6000.00 1000.00 1
++2.95257637E+00+1.39690040E-03-4.92631603E-07+7.86010195E-11-4.60755204E-15 2
+-9.23948688E+02+5.87188762E+00+3.53100528E+00-1.23660988E-04-5.02999433E-07 3
++2.43530612E-09-1.40881235E-12-1.04697628E+03+2.96747038E+00 4
+OH* O 1H 1 G 300.00 5000.00 1000.00 1
++2.88273000E+00+1.01397430E-03-2.27687700E-07+2.17468300E-11-5.12630500E-16 2
++5.02650000E+04+5.59571200E+00+3.63726600E+00+1.85091000E-04-1.67616460E-06 3
++2.38720200E-09-8.43144200E-13+5.00213000E+04+1.35886050E+00 4
+CH* C 1H 1 G 300.00 5000.00 1000.00 1
++2.19622300E+00+2.34038100E-03-7.05820100E-07+9.00758200E-11-3.85504000E-15 2
++1.04195590E+05+9.17837300E+00+3.20020200E+00+2.07287500E-03-5.13443100E-06 3
++5.73389000E-09-1.95553300E-12+1.03937140E+05+3.33158700E+00 4
+END
\ No newline at end of file
diff --git a/Exemple/Results extraction merging/new_model_TIRAMISU_kt.trans b/Exemple/Results extraction merging/new_model_TIRAMISU_kt.trans
new file mode 100644
index 0000000000000000000000000000000000000000..3bb4faa89aa71cb40cd65a9f66c5a0ef6812b17c
--- /dev/null
+++ b/Exemple/Results extraction merging/new_model_TIRAMISU_kt.trans
@@ -0,0 +1,1390 @@
+!test @
+! n=10000 depth=3 kinetics and thermodynamics retained from LLNL
+! 03/05/2024
+!kt
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! LLNL TRANSPORT !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+H 0 145.000 2.050 0.000 0.000 0.000
+H2 1 38.000 2.920 0.000 0.790 280.000
+O 0 80.000 2.750 0.000 0.000 0.000
+O2 1 107.400 3.458 0.000 1.600 3.800
+OH 1 80.000 2.750 0.000 0.000 0.000
+H2O 2 572.400 2.605 1.844 0.000 4.000
+HO2 2 107.400 3.458 0.000 0.000 1.000
+H2O2 2 107.400 3.458 0.000 0.000 3.800
+AR 0 136.500 3.330 0.000 0.000 0.000
+CO 1 98.100 3.650 0.000 1.950 1.800
+CO2 1 244.000 3.763 0.000 2.650 2.100
+CH2O 2 498.000 3.590 0.000 0.000 2.000
+HCO 2 498.000 3.590 0.000 0.000 0.000
+HO2CHO 2 436.000 3.970 0.000 0.000 2.000
+O2CHO 2 436.000 3.970 0.000 0.000 2.000
+HOCHO 2 436.000 3.970 0.000 0.000 2.000
+OCHO 2 498.000 3.590 0.000 0.000 2.000
+HOCH2O2H 2 481.800 3.626 1.700 0.000 1.000
+HOCH2O2 2 481.800 3.626 1.700 0.000 1.000
+OCH2O2H 2 481.800 3.626 1.700 0.000 1.000
+HOCH2O 2 470.600 4.410 0.000 0.000 1.500
+CH3OH 2 481.800 3.626 0.000 0.000 1.000
+CH2OH 2 417.000 3.690 1.700 0.000 2.000
+CH3O 2 417.000 3.690 1.700 0.000 2.000
+CH3O2H 2 481.800 3.626 0.000 0.000 1.000
+CH3O2 2 481.800 3.626 0.000 0.000 1.000
+CH4 2 141.400 3.746 0.000 2.600 13.000
+CH3 1 144.000 3.800 0.000 0.000 0.000
+CH2 1 144.000 3.800 0.000 0.000 0.000
+CH2(S) 1 144.000 3.800 0.000 0.000 0.000
+C 0 71.400 3.298 0.000 0.000 0.000
+CH 1 80.000 2.750 0.000 0.000 0.000
+C2H6 2 247.500 4.350 0.000 0.000 1.500
+C2H5 2 247.500 4.350 0.000 0.000 1.500
+C2H4 2 238.400 3.496 0.000 0.000 1.500
+C2H3 2 265.300 3.721 0.000 0.000 1.000
+C2H2 1 265.300 3.721 0.000 0.000 2.500
+C2H 1 265.300 3.721 0.000 0.000 2.500
+CH3CHO 2 436.000 3.970 0.000 0.000 2.000
+CH3CO 2 436.000 3.970 0.000 0.000 2.000
+CH2CHO 2 436.000 3.970 0.000 0.000 2.000
+CH2CO 2 436.000 3.970 0.000 0.000 2.000
+HCCO 2 150.000 2.500 0.000 0.000 1.000
+HCCOH 2 436.000 3.970 0.000 0.000 2.000
+CH3CO3H 2 436.000 3.970 0.000 0.000 2.000
+CH3CO3 2 436.000 3.970 0.000 0.000 2.000
+CH3CO2 2 436.000 3.970 0.000 0.000 2.000
+C2H5OH 2 470.600 4.410 0.000 0.000 1.500
+C2H5O 2 470.600 4.410 0.000 0.000 1.500
+PC2H4OH 2 470.600 4.410 0.000 0.000 1.500
+SC2H4OH 2 470.600 4.410 0.000 0.000 1.500
+O2C2H4OH 2 523.200 5.664 1.700 0.000 1.000
+C2H5O2H 2 470.600 4.410 0.000 0.000 1.500
+C2H5O2 2 470.600 4.410 0.000 0.000 1.500
+C2H4O2H 2 470.600 4.410 0.000 0.000 1.500
+C2H4O1-2 2 436.000 3.970 0.000 0.000 2.000
+C2H3O1-2 2 436.000 3.970 0.000 0.000 2.000
+CH3COCH3 2 435.500 4.860 0.000 0.000 1.000
+CH3COCH2 2 435.500 4.860 0.000 0.000 1.000
+CH3COCH2O2 2 502.115 5.429 0.000 0.000 0.000
+CH3COCH2O2H 2 505.403 5.449 0.000 0.000 0.000
+CH3COCH2O 2 447.639 5.086 0.000 0.000 0.000
+C2H3CHO 2 428.800 4.958 2.900 0.000 1.000
+C2H3CO 2 443.200 4.120 0.000 0.000 1.000
+C2H5CHO 2 435.200 4.662 2.700 0.000 1.000
+C2H5CO 2 424.600 4.820 0.000 0.000 1.000
+CH3OCH3 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O2 2 395.000 4.037 1.300 0.000 1.000
+CH2OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O 2 395.000 4.037 1.300 0.000 1.000
+O2CH2OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+HO2CH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+OCH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+HOCH2OCO 2 395.000 4.037 1.300 0.000 1.000
+CH3OCHO 2 395.000 4.037 1.300 0.000 1.000
+CH3OCO 2 395.000 4.037 1.300 0.000 1.000
+CH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+HE 0 10.200 2.576 0.000 0.000 0.000
+C3H8 2 303.400 4.810 0.000 0.000 1.000
+IC3H7 2 303.400 4.810 0.000 0.000 1.000
+NC3H7 2 303.400 4.810 0.000 0.000 1.000
+C3H6 2 307.800 4.140 0.000 0.000 1.000
+C3H5-A 2 316.000 4.220 0.000 0.000 1.000
+C3H5-S 2 316.000 4.220 0.000 0.000 1.000
+C3H5-T 2 316.000 4.220 0.000 0.000 1.000
+C3H4-P 1 324.800 4.290 0.000 0.000 1.000
+C3H4-A 1 324.800 4.290 0.000 0.000 1.000
+C3H3 1 324.800 4.290 0.000 0.000 1.000
+C3H2 2 209.000 4.100 0.000 0.000 1.000
+C3H5O 2 411.000 4.820 0.000 0.000 1.000
+C3H6OOH1-2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-3 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-1 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-2O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-3O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-1O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-2 2 435.200 4.662 2.700 0.000 1.000
+NC3H7O2H 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O2H 2 459.500 5.036 1.700 0.000 1.000
+NC3H7O2 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O2 2 459.500 5.036 1.700 0.000 1.000
+NC3H7O 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O 2 459.500 5.036 1.700 0.000 1.000
+C3H6O1-2 2 403.600 4.968 2.000 0.000 1.000
+C3H6O1-3 2 403.600 4.968 2.000 0.000 1.000
+C3KET12 2 464.200 5.009 2.600 0.000 1.000
+C3KET13 2 464.200 5.009 2.600 0.000 1.000
+C3KET21 2 464.200 5.009 2.600 0.000 1.000
+C3H51-2,3OOH 2 481.500 4.997 1.700 0.000 1.000
+C3H52-1,3OOH 2 481.500 4.997 1.700 0.000 1.000
+C3H6OH 2 487.900 4.820 0.000 0.000 1.000
+HOC3H6O2 2 487.900 4.820 0.000 0.000 1.000
+CH3CHCO 2 443.200 4.120 0.000 0.000 1.000
+AC3H5OOH 2 481.500 4.997 1.700 0.000 1.000
+C2H3OOH 2 428.800 4.958 2.900 0.000 1.000
+C4H10 2 350.900 5.206 0.000 0.000 1.000
+C4H8-1 2 355.000 4.650 0.000 0.000 1.000
+C4H8-2 2 355.000 4.650 0.000 0.000 1.000
+PC4H9 2 352.000 5.240 0.000 0.000 1.000
+SC4H9 2 352.000 5.240 0.000 0.000 1.000
+C4H71-1 2 355.000 4.650 0.000 0.000 1.000
+C4H71-2 2 355.000 4.650 0.000 0.000 1.000
+C4H71-3 2 355.000 4.650 0.000 0.000 1.000
+C4H71-4 2 355.000 4.650 0.000 0.000 1.000
+C4H72-2 2 355.000 4.650 0.000 0.000 1.000
+C4H6 2 357.000 4.720 0.000 0.000 1.000
+PC4H9O2H 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O2H 2 496.000 5.200 0.000 0.000 1.000
+PC4H9O2 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O2 2 496.000 5.200 0.000 0.000 1.000
+PC4H9O 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O 2 496.000 5.200 0.000 0.000 1.000
+C4H7O 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8O2-3 2 496.000 5.200 0.000 0.000 1.000
+PC4H8OH 2 502.200 5.356 1.800 0.000 1.000
+SC4H8OH 2 502.200 5.356 1.800 0.000 1.000
+C4H8OH-1O2 2 502.200 5.356 1.800 0.000 1.000
+C4H8OH-2O2 2 502.200 5.356 1.800 0.000 1.000
+C4H8OOH1-1 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-1 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-2O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-3O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-4O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-1O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-3O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-4O2 2 496.000 5.200 0.000 0.000 1.000
+NC4KET12 2 476.000 5.778 2.600 0.000 1.000
+NC4KET13 2 476.000 5.778 2.600 0.000 1.000
+NC4KET14 2 476.000 5.778 2.600 0.000 1.000
+NC4KET21 2 476.000 5.778 2.600 0.000 1.000
+NC4KET23 2 476.000 5.778 2.600 0.000 1.000
+NC4KET24 2 476.000 5.778 2.600 0.000 1.000
+C2H5COCH3 2 454.000 5.413 3.300 0.000 1.000
+C2H5COCH2 2 454.000 5.413 3.300 0.000 1.000
+CH2CH2COCH3 2 440.584 5.040 0.000 0.000 0.000
+CH3CHCOCH3 2 440.584 5.040 0.000 0.000 0.000
+C2H3COCH3 2 454.000 5.413 3.300 0.000 1.000
+CH3CHOOCOCH3 2 546.562 5.698 0.000 0.000 0.000
+CH2CHOOHCOCH3 2 546.562 5.698 0.000 0.000 0.000
+NC3H7CHO 2 464.200 5.009 2.600 0.000 1.000
+NC3H7CO 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-1 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-2 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-3 2 464.200 5.009 2.600 0.000 1.000
+C2H5CHCO 2 436.950 5.016 0.000 0.000 0.000
+SC3H5CHO 2 464.200 5.009 2.600 0.000 1.000
+SC3H5CO 2 464.200 5.009 2.600 0.000 1.000
+CH2CH2CHO 2 424.600 4.820 0.000 0.000 1.000
+IC4H10 2 335.700 5.208 0.100 0.000 1.000
+IC4H9 2 352.000 5.240 0.000 0.000 1.000
+TC4H9 2 352.000 5.240 0.000 0.000 1.000
+IC4H8 2 344.500 5.089 0.500 0.000 1.000
+IC4H7 2 355.000 4.650 0.000 0.000 1.000
+TC4H9O2 2 502.252 5.430 0.000 0.000 0.000
+IC4H9O2 2 502.252 5.430 0.000 0.000 0.000
+TC4H8O2H-I 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O2H-I 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O2H-T 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O 2 444.197 5.063 0.000 0.000 0.000
+CC4H8O 2 444.197 5.063 0.000 0.000 0.000
+IC4H9O 2 496.000 5.200 0.000 0.000 1.000
+TC4H9O 2 496.000 5.200 0.000 0.000 1.000
+IC4H9O2H 2 505.540 5.450 0.000 0.000 0.000
+TC4H9O2H 2 505.540 5.450 0.000 0.000 0.000
+IC4H7O 2 496.000 5.200 0.000 0.000 1.000
+IC4H8OH 2 496.000 5.200 0.000 0.000 1.000
+IO2C4H8OH 2 496.000 5.200 0.000 0.000 1.000
+IC3H7CHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6CHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H7CO 2 436.400 5.352 0.000 0.000 1.000
+IC3H6CHO 2 436.400 5.352 0.000 0.000 1.000
+TC4H8OOH-IO2 2 600.078 6.009 0.000 0.000 0.000
+IC4H8OOH-IO2 2 600.078 6.009 0.000 0.000 0.000
+IC4H8OOH-TO2 2 600.078 6.009 0.000 0.000 0.000
+IC4KETII 2 549.655 5.716 0.000 0.000 0.000
+IC4KETIT 2 549.655 5.716 0.000 0.000 0.000
+IC4H7OH 2 502.200 5.356 1.800 0.000 1.000
+IC4H6OH 2 502.200 5.356 1.800 0.000 1.000
+IC3H5CHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H5CO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6OCHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H6CO 2 436.400 5.352 0.000 0.000 1.000
+IC4H7OOH 2 498.949 5.410 0.000 0.000 0.000
+TC3H6OHCHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6OH 2 459.500 5.036 1.700 0.000 1.000
+IC3H5OH 2 459.500 5.036 1.700 0.000 1.000
+TC3H6O2CHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6O2HCO 2 436.400 5.352 0.000 0.000 1.000
+IC3H5O2HCHO 2 436.400 5.352 0.000 0.000 1.000
+CH2CCH2OH 2 481.500 4.997 1.700 0.000 1.000
+TC4H8CHO 2 489.084 5.348 0.000 0.000 0.000
+O2C4H8CHO 2 588.531 5.942 0.000 0.000 0.000
+O2HC4H8CO 2 588.531 5.942 0.000 0.000 0.000
+C3H5OH 2 481.500 4.997 1.700 0.000 1.000
+TIC4H7Q2-I 2 600.078 6.009 0.000 0.000 0.000
+IIC4H7Q2-T 2 600.078 6.009 0.000 0.000 0.000
+IIC4H7Q2-I 2 600.078 6.009 0.000 0.000 0.000
+CH2O2H 2 481.800 3.626 0.000 0.000 1.000
+NC5H12 2 391.700 5.591 0.000 0.000 1.000
+C5H11-1 2 440.735 5.041 0.000 0.000 0.000
+C5H11-2 2 440.735 5.041 0.000 0.000 0.000
+C5H11-3 2 440.735 5.041 0.000 0.000 0.000
+C5H10-1 2 386.200 5.489 0.400 0.000 1.000
+C5H10-2 2 396.800 5.458 0.000 0.000 1.000
+C5H81-3 2 408.000 5.200 0.000 0.000 1.000
+C5H91-3 2 396.800 5.458 0.000 0.000 1.000
+C5H91-4 2 396.800 5.458 0.000 0.000 1.000
+C5H91-5 2 396.800 5.458 0.000 0.000 1.000
+C5H92-4 2 396.800 5.458 0.000 0.000 1.000
+C5H92-5 2 396.800 5.458 0.000 0.000 1.000
+C5H9O1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H9O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-3 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-5 2 546.691 5.698 0.000 0.000 0.000
+C5H10OOH2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-5 2 523.200 5.664 1.700 0.000 1.000
+C5H10O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-2O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-1O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-1O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-2O2 2 523.200 5.664 1.700 0.000 1.000
+NC5KET12 2 494.800 6.174 1.800 0.000 1.000
+NC5KET13 2 494.800 6.174 1.800 0.000 1.000
+NC5KET14 2 494.800 6.174 1.800 0.000 1.000
+NC5KET15 2 494.800 6.174 1.800 0.000 1.000
+NC5KET21 2 494.800 6.174 1.800 0.000 1.000
+NC5KET23 2 494.800 6.174 1.800 0.000 1.000
+NC5KET24 2 494.800 6.174 1.800 0.000 1.000
+NC5KET25 2 494.800 6.174 1.800 0.000 1.000
+NC5KET31 2 494.800 6.174 1.800 0.000 1.000
+NC5KET32 2 494.800 6.174 1.800 0.000 1.000
+C5H10OH-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10OH-2 2 523.200 5.664 1.700 0.000 1.000
+O2C5H10OH-1 2 588.653 5.943 0.000 0.000 0.000
+O2C5H10OH-2 2 588.653 5.943 0.000 0.000 0.000
+NC6H14 2 427.400 5.946 0.000 0.000 1.000
+C6H13-1 2 489.224 5.349 0.000 0.000 0.000
+C6H13-2 2 489.224 5.349 0.000 0.000 0.000
+C6H13-3 2 489.224 5.349 0.000 0.000 0.000
+C6H12-1 2 485.857 5.328 0.000 0.000 0.000
+C6H12-2 2 485.857 5.328 0.000 0.000 0.000
+C6H12-3 2 485.857 5.328 0.000 0.000 0.000
+C6H111-3 2 482.473 5.307 0.000 0.000 0.000
+C6H111-4 2 482.473 5.307 0.000 0.000 0.000
+C6H111-5 2 482.473 5.307 0.000 0.000 0.000
+C6H111-6 2 482.473 5.307 0.000 0.000 0.000
+C6H112-4 2 482.473 5.307 0.000 0.000 0.000
+C6H112-5 2 482.473 5.307 0.000 0.000 0.000
+C6H112-6 2 482.473 5.307 0.000 0.000 0.000
+C6H113-1 2 482.473 5.307 0.000 0.000 0.000
+C6H11O1-3 2 541.500 5.674 1.800 0.000 1.000
+C6H11O2-4 2 541.500 5.674 1.800 0.000 1.000
+C6H12O1-2 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-3 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-4 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-5 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-3 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-4 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-5 2 537.467 5.643 0.000 0.000 0.000
+C6H12O3-4 2 537.467 5.643 0.000 0.000 0.000
+C6H13O2H-1 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2H-2 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2H-3 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H13O2-2 2 588.653 5.943 0.000 0.000 0.000
+C6H13O2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-2 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-1 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-2 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-6 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-2O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-2O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-6O2 2 677.149 6.436 0.000 0.000 0.000
+NC6KET12 2 467.000 6.548 1.800 0.000 1.000
+NC6KET13 2 467.000 6.548 1.800 0.000 1.000
+NC6KET14 2 467.000 6.548 1.800 0.000 1.000
+NC6KET15 2 467.000 6.548 1.800 0.000 1.000
+NC6KET21 2 467.000 6.548 1.800 0.000 1.000
+NC6KET23 2 467.000 6.548 1.800 0.000 1.000
+NC6KET24 2 467.000 6.548 1.800 0.000 1.000
+NC6KET25 2 467.000 6.548 1.800 0.000 1.000
+NC6KET26 2 467.000 6.548 1.800 0.000 1.000
+NC6KET31 2 467.000 6.548 1.800 0.000 1.000
+NC6KET32 2 467.000 6.548 1.800 0.000 1.000
+NC6KET34 2 467.000 6.548 1.800 0.000 1.000
+NC6KET35 2 467.000 6.548 1.800 0.000 1.000
+NC6KET36 2 467.000 6.548 1.800 0.000 1.000
+C6H13O-1 2 540.597 5.662 0.000 0.000 0.000
+C6H13O-2 2 540.597 5.662 0.000 0.000 0.000
+C6H13O-3 2 540.597 5.662 0.000 0.000 0.000
+C6H12OH-1 2 541.500 5.674 1.800 0.000 1.000
+C6H12OH-2 2 541.500 5.674 1.800 0.000 1.000
+C6H12OH-3 2 541.500 5.674 1.800 0.000 1.000
+O2C6H12OH-1 2 561.000 6.317 1.700 0.000 1.000
+O2C6H12OH-2 2 561.000 6.317 1.700 0.000 1.000
+O2C6H12OH-3 2 561.000 6.317 1.700 0.000 1.000
+NC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+NC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-1 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-3 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-4 2 476.000 5.778 2.600 0.000 1.000
+AC3H5CHO 2 464.200 5.009 2.600 0.000 1.000
+AC3H5CO 2 464.200 5.009 2.600 0.000 1.000
+C2H3CHCHO 2 464.200 5.009 2.600 0.000 1.000
+NC3H7COCH3 2 477.000 5.735 2.500 0.000 1.000
+NC3H7COCH2 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-1 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-2 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-3 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H5 2 476.700 5.714 2.700 0.000 1.000
+C2H5COC2H4P 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H4S 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H3 2 476.700 5.714 2.700 0.000 1.000
+PC2H4COC2H3 2 476.700 5.714 2.700 0.000 1.000
+SC2H4COC2H3 2 476.700 5.714 2.700 0.000 1.000
+NC7H16 2 459.600 6.253 0.000 0.000 1.000
+C7H15-1 2 459.600 6.253 0.000 0.000 1.000
+C7H15-2 2 459.600 6.253 0.000 0.000 1.000
+C7H15-3 2 459.600 6.253 0.000 0.000 1.000
+C7H15-4 2 459.600 6.253 0.000 0.000 1.000
+C7H14-1 2 457.800 6.173 0.300 0.000 1.000
+C7H14-2 2 457.800 6.173 0.300 0.000 1.000
+C7H14-3 2 457.800 6.173 0.300 0.000 1.000
+C7H131-3 2 457.800 6.173 0.300 0.000 1.000
+C7H131-4 2 457.800 6.173 0.300 0.000 1.000
+C7H131-5 2 457.800 6.173 0.300 0.000 1.000
+C7H131-6 2 457.800 6.173 0.300 0.000 1.000
+C7H131-7 2 457.800 6.173 0.300 0.000 1.000
+C7H132-4 2 457.800 6.173 0.300 0.000 1.000
+C7H132-5 2 457.800 6.173 0.300 0.000 1.000
+C7H132-6 2 457.800 6.173 0.300 0.000 1.000
+C7H132-7 2 457.800 6.173 0.300 0.000 1.000
+C7H133-1 2 457.800 6.173 0.300 0.000 1.000
+C7H133-5 2 457.800 6.173 0.300 0.000 1.000
+C7H133-6 2 457.800 6.173 0.300 0.000 1.000
+C7H133-7 2 457.800 6.173 0.300 0.000 1.000
+C7H13O1-3 2 561.000 6.317 1.700 0.000 1.000
+C7H13O2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H13O3-5 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-4 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-6 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-6 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-7 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-6O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-6O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-7O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14O1-2 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-3 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-5 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-3 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-5 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-6 2 511.500 6.297 0.000 0.000 1.000
+C7H14O3-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O3-5 2 511.500 6.297 0.000 0.000 1.000
+NC7KET12 2 581.300 6.506 2.000 0.000 1.000
+NC7KET13 2 581.300 6.506 2.000 0.000 1.000
+NC7KET14 2 581.300 6.506 2.000 0.000 1.000
+NC7KET15 2 581.300 6.506 2.000 0.000 1.000
+NC7KET21 2 581.300 6.506 2.000 0.000 1.000
+NC7KET23 2 581.300 6.506 2.000 0.000 1.000
+NC7KET24 2 581.300 6.506 2.000 0.000 1.000
+NC7KET25 2 581.300 6.506 2.000 0.000 1.000
+NC7KET26 2 581.300 6.506 2.000 0.000 1.000
+NC7KET31 2 581.300 6.506 2.000 0.000 1.000
+NC7KET32 2 581.300 6.506 2.000 0.000 1.000
+NC7KET34 2 581.300 6.506 2.000 0.000 1.000
+NC7KET35 2 581.300 6.506 2.000 0.000 1.000
+NC7KET36 2 581.300 6.506 2.000 0.000 1.000
+NC7KET37 2 581.300 6.506 2.000 0.000 1.000
+NC7KET41 2 581.300 6.506 2.000 0.000 1.000
+NC7KET42 2 581.300 6.506 2.000 0.000 1.000
+NC7KET43 2 581.300 6.506 2.000 0.000 1.000
+C7H14OH-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OH-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OH-3 2 561.000 6.317 1.700 0.000 1.000
+O2C7H14OH-1 2 677.149 6.436 0.000 0.000 0.000
+O2C7H14OH-2 2 677.149 6.436 0.000 0.000 0.000
+O2C7H14OH-3 2 677.149 6.436 0.000 0.000 0.000
+NC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+NC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO-1 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-2 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-3 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-4 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-5 2 534.323 5.625 0.000 0.000 0.000
+C4H7CHO1-4 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-4 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-43 2 482.331 5.306 0.000 0.000 0.000
+C4H6CHO1-44 2 482.331 5.306 0.000 0.000 0.000
+NC4H9COCH3 2 537.467 5.643 0.000 0.000 0.000
+NC4H9COCH2 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-1 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-2 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-3 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-4 2 534.323 5.625 0.000 0.000 0.000
+C4H7OOH1-4 2 523.200 5.664 1.700 0.000 1.000
+C4H7O1-4 2 476.000 5.778 2.600 0.000 1.000
+C5H9OOH1-4 2 543.585 5.680 0.000 0.000 0.000
+C5H9O1-4 2 489.084 5.348 0.000 0.000 0.000
+C5H9OOH1-5 2 543.585 5.680 0.000 0.000 0.000
+C5H9O1-5 2 489.084 5.348 0.000 0.000 0.000
+C6H11OOH1-4 2 561.000 6.317 1.700 0.000 1.000
+C6H11O1-4 2 541.500 5.674 1.800 0.000 1.000
+C6H11OOH1-5 2 561.000 6.317 1.700 0.000 1.000
+C6H11O1-5 2 541.500 5.674 1.800 0.000 1.000
+C5H91-1 2 396.800 5.458 0.000 0.000 1.000
+C4H7CHO1-1 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-1 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-14 2 482.331 5.306 0.000 0.000 0.000
+C4H6CHO1-13 2 482.331 5.306 0.000 0.000 0.000
+NC3H7COC2H5 2 537.467 5.643 0.000 0.000 0.000
+C3H6COC2H5-1 2 534.323 5.625 0.000 0.000 0.000
+C3H6COC2H5-2 2 534.323 5.625 0.000 0.000 0.000
+C3H6COC2H5-3 2 534.323 5.625 0.000 0.000 0.000
+NC3H7COC2H4P 2 534.323 5.625 0.000 0.000 0.000
+NC3H7COC2H4S 2 534.323 5.625 0.000 0.000 0.000
+CHCHCHO 2 443.200 4.120 0.000 0.000 1.000
+C6H101-3 2 426.300 5.510 0.000 0.000 1.000
+C6H101-4 2 426.300 5.510 0.000 0.000 1.000
+C6H101-5 2 426.300 5.510 0.000 0.000 1.000
+C6H102-4 2 426.300 5.510 0.000 0.000 1.000
+ETES1 2 537.467 5.643 0.000 0.000 0.000
+MVOX 2 537.467 5.643 0.000 0.000 0.000
+VTHF 2 537.467 5.643 0.000 0.000 0.000
+EDHF 2 537.467 5.643 0.000 0.000 0.000
+C6H111O2H-4 2 591.585 5.960 0.000 0.000 0.000
+C6H111O2H-5 2 591.585 5.960 0.000 0.000 0.000
+C6H111O2H-6 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-4 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-5 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-6 2 591.585 5.960 0.000 0.000 0.000
+C6H113O2H-2 2 591.585 5.960 0.000 0.000 0.000
+C6H113O2H-1 2 591.585 5.960 0.000 0.000 0.000
+NC6D1KET34 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET35 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET36 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET43 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET45 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET46 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET53 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET54 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET56 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET63 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET64 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET65 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET45 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET46 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET54 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET56 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET64 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET65 2 467.000 6.548 1.800 0.000 1.000
+NC6D3KET12 2 467.000 6.548 1.800 0.000 1.000
+NC6D3KET21 2 467.000 6.548 1.800 0.000 1.000
+C6H112O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H113O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H113O2-2 2 588.653 5.943 0.000 0.000 0.000
+C6H101OOH3-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH3-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH3-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-4 2 591.585 5.960 0.000 0.000 0.000
+C6H103OOH1-2 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-5 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-6 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH5-6 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH6-4 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH6-5 2 591.585 5.960 0.000 0.000 0.000
+C6H103OOH2-1 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH4-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH6-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH6-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H103OOH2-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H103OOH1-2O2 2 677.149 6.436 0.000 0.000 0.000
+C2H3COC3H7 2 541.500 5.674 1.800 0.000 1.000
+C5H81-4 2 386.200 5.489 0.400 0.000 1.000
+C5H91O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H91O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H91O2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-4 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-3 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-4 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-3 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-4O2 2 523.200 5.664 1.700 0.000 1.000
+NC5D1KET34 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET35 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET43 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET45 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET53 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET54 2 494.800 6.174 1.800 0.000 1.000
+CY3C5H8O 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH4-5 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH5-4 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH4-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH5-4O2 2 523.200 5.664 1.700 0.000 1.000
+NC5D2KET45 2 494.800 6.174 1.800 0.000 1.000
+NC5D2KET54 2 494.800 6.174 1.800 0.000 1.000
+IC5H12 2 382.100 5.548 0.000 0.000 1.000
+AC5H11 2 440.735 5.041 0.000 0.000 0.000
+BC5H11 2 440.735 5.041 0.000 0.000 0.000
+CC5H11 2 440.735 5.041 0.000 0.000 0.000
+DC5H11 2 440.735 5.041 0.000 0.000 0.000
+AC5H10 2 386.600 5.532 0.500 0.000 1.000
+BC5H10 2 391.400 5.550 0.000 0.000 1.000
+CC5H10 2 437.102 5.017 0.000 0.000 0.000
+AC5H9-A2 2 386.600 5.532 0.500 0.000 1.000
+AC5H9-C 2 386.600 5.532 0.500 0.000 1.000
+AC5H9-D 2 386.600 5.532 0.500 0.000 1.000
+CC5H9-A 2 386.600 5.532 0.500 0.000 1.000
+CC5H9-B 2 386.600 5.532 0.500 0.000 1.000
+AC5H9O-A2 2 430.100 5.833 0.000 0.000 1.000
+AC5H9O-C 2 430.100 5.833 0.000 0.000 1.000
+CC5H9O-B 2 397.900 5.767 0.000 0.000 1.000
+AC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+BC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+CC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+DC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+AC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+BC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+CC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+DC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+AC5H11O 2 523.200 5.664 1.700 0.000 1.000
+BC5H11O 2 523.200 5.664 1.700 0.000 1.000
+CC5H11O 2 523.200 5.664 1.700 0.000 1.000
+DC5H11O 2 523.200 5.664 1.700 0.000 1.000
+AC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+A-AC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-BC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-CC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+B-CC5H10O 2 492.434 5.369 0.000 0.000 0.000
+B-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+C-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+AC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+IC5KETAA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAC 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAD 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCD 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDC 2 591.463 5.959 0.000 0.000 0.000
+AC5H10OH 2 430.100 5.833 0.000 0.000 1.000
+BC5H10OH 2 397.900 5.767 0.000 0.000 1.000
+CC5H10OH 2 397.900 5.767 0.000 0.000 1.000
+AO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+BO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+CO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+CH3CHCHO 2 387.860 4.687 0.000 0.000 0.000
+IC3H5COCH3 2 485.716 5.327 0.000 0.000 0.000
+IC3H5COCH2 2 482.331 5.306 0.000 0.000 0.000
+AC3H4COCH3 2 482.331 5.306 0.000 0.000 0.000
+IC6H14 2 422.500 5.870 0.000 0.000 1.000
+AC6H13 2 422.500 5.870 0.000 0.000 1.000
+BC6H13 2 422.500 5.870 0.000 0.000 1.000
+CC6H13 2 422.500 5.870 0.000 0.000 1.000
+DC6H13 2 422.500 5.870 0.000 0.000 1.000
+EC6H13 2 422.500 5.870 0.000 0.000 1.000
+AC6H12 2 430.100 5.833 0.000 0.000 1.000
+BC6H12 2 430.100 5.833 0.000 0.000 1.000
+CC6H12 2 430.100 5.833 0.000 0.000 1.000
+DC6H12 2 414.400 5.872 0.000 0.000 1.000
+AC6H11-A2 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-C 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-E 2 430.100 5.833 0.000 0.000 1.000
+BC6H11-E 2 430.100 5.833 0.000 0.000 1.000
+CC6H11-A 2 430.100 5.833 0.000 0.000 1.000
+CC6H11-B 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-A 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-B 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-C 2 430.100 5.833 0.000 0.000 1.000
+AC6H11O-C 2 437.300 6.168 0.000 0.000 1.000
+CC6H11O-B 2 541.500 5.674 1.800 0.000 1.000
+DC6H11O-C 2 437.300 6.168 0.000 0.000 1.000
+AC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+DC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+AC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+DC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+AC6H13O 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O 2 437.300 6.168 0.000 0.000 1.000
+DC6H13O 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+A-AC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-BC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-CC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-CC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+C-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+C-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+D-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAD 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCD 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETED 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+BC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+CC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+DC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+AO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+BO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+CO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+DO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+NC4H9CHO-2 2 476.000 5.778 2.600 0.000 1.000
+NC4H9CO-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO3-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO4-2 2 476.000 5.778 2.600 0.000 1.000
+IC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+IC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+IC3H6CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+TC3H6CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H7CHCHO 2 476.000 5.778 2.600 0.000 1.000
+IC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+AC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+BC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+CC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+DC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+C4H7CHO2-1 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO2-1 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-11 2 476.000 5.778 2.600 0.000 1.000
+NC5H11CHO-2 2 498.600 6.009 2.000 0.000 1.000
+NC5H11CO-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO1-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO2-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO3-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO4-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO5-2 2 498.600 6.009 2.000 0.000 1.000
+IC4H9COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC4H9COCH2 2 503.700 6.020 2.000 0.000 1.000
+IC3H6CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC3H7CHCOCH3 2 503.700 6.020 2.000 0.000 1.000
+TC3H6CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC3H7COC2H5 2 537.467 5.643 0.000 0.000 0.000
+IC3H6COC2H5 2 534.323 5.625 0.000 0.000 0.000
+TC3H6COC2H5 2 534.323 5.625 0.000 0.000 0.000
+IC3H7COC2H4P 2 534.323 5.625 0.000 0.000 0.000
+IC3H7COC2H4S 2 534.323 5.625 0.000 0.000 0.000
+IC3H5COC2H5 2 531.165 5.606 0.000 0.000 0.000
+AC3H4COC2H5 2 527.994 5.587 0.000 0.000 0.000
+IC3H5COC2H4P 2 527.994 5.587 0.000 0.000 0.000
+IC3H5COC2H4S 2 527.994 5.587 0.000 0.000 0.000
+IC3H7COCH3 2 469.000 5.632 2.800 0.000 1.000
+IC3H7COCH2 2 489.084 5.348 0.000 0.000 0.000
+IC3H6COCH3 2 489.084 5.348 0.000 0.000 0.000
+TC3H6COCH3 2 489.084 5.348 0.000 0.000 0.000
+C5H91-2 2 386.200 5.489 0.400 0.000 1.000
+IC5H8 2 382.100 5.548 0.000 0.000 1.000
+IC5H7 2 382.100 5.548 0.000 0.000 1.000
+IC5H7O 2 430.100 5.833 0.000 0.000 1.000
+C4H5 2 350.400 4.984 0.000 0.000 1.000
+IC4H7-I1 2 380.022 4.633 0.000 0.000 0.000
+C7H16-24 2 437.300 6.168 0.000 0.000 1.000
+XC7H15 2 437.300 6.168 0.000 0.000 1.000
+YC7H15 2 437.300 6.168 0.000 0.000 1.000
+ZC7H15 2 437.300 6.168 0.000 0.000 1.000
+XC7H14 2 439.200 6.151 0.000 0.000 1.000
+YC7H14 2 439.200 6.151 0.000 0.000 1.000
+XC7H13-X1 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-Z 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-X2 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-Y2 2 541.500 5.674 1.800 0.000 1.000
+YC7H13-Y2 2 541.500 5.674 1.800 0.000 1.000
+YC7H13-X2 2 541.500 5.674 1.800 0.000 1.000
+XC7H13O-Z 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-Y2 2 458.500 6.414 0.000 0.000 1.000
+XC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+XC7H15O 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y1 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Y2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-X 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-Y 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X1O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X2O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y1O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y2O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-ZO2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X1O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X2O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Y2O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-ZO2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-XO2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-YO2 2 561.000 6.317 1.700 0.000 1.000
+X-X1C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-X2C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-Y1C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-Y2C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-ZC7H14O 2 561.000 6.317 1.700 0.000 1.000
+Y-YC7H14O 2 561.000 6.317 1.700 0.000 1.000
+Y-ZC7H14O 2 561.000 6.317 1.700 0.000 1.000
+C7KET24XX1 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XY1 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XZ 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XY2 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XX2 2 435.900 5.807 0.000 0.000 1.000
+C7KET24ZX 2 435.900 5.807 0.000 0.000 1.000
+C7KET24ZY 2 435.900 5.807 0.000 0.000 1.000
+XC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+YC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+XO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+YO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+ACC6H10 2 430.100 5.833 0.000 0.000 1.000
+ACC6H9-A 2 430.100 5.833 0.000 0.000 1.000
+ACC6H9-D 2 430.100 5.833 0.000 0.000 1.000
+NEOC5H12 2 444.347 5.064 0.000 0.000 0.000
+NEOC5H11 2 440.735 5.041 0.000 0.000 0.000
+NEOC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+NEOC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+NEOC5H11O 2 495.769 5.390 0.000 0.000 0.000
+NEOC5H10OOH 2 546.691 5.698 0.000 0.000 0.000
+NEO-C5H10O 2 492.434 5.369 0.000 0.000 0.000
+NEOC5H10OOH-O2 2 639.455 6.230 0.000 0.000 0.000
+NEOC5H9Q2 2 639.455 6.230 0.000 0.000 0.000
+NEOC5H9Q2-N 2 639.455 6.230 0.000 0.000 0.000
+NEOC5KET 2 591.463 5.959 0.000 0.000 0.000
+NEOC5KETOX 2 540.467 5.661 0.000 0.000 0.000
+NEOC5KEJOL 2 540.467 5.661 0.000 0.000 0.000
+IC4H6Q2-II 2 597.176 5.992 0.000 0.000 0.000
+NEOC6H14 2 406.100 5.842 0.000 0.000 1.000
+FC6H13 2 406.100 5.842 0.000 0.000 1.000
+GC6H13 2 406.100 5.842 0.000 0.000 1.000
+HC6H13 2 406.100 5.842 0.000 0.000 1.000
+NEOC6H12 2 397.900 5.767 0.000 0.000 1.000
+NEOC6H11 2 397.900 5.767 0.000 0.000 1.000
+FC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+FC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+FC6H13O 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-G 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-H 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-H 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-G 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-GO2 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-HO2 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-HO2 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-GO2 2 541.500 5.674 1.800 0.000 1.000
+F-FC6H12O 2 541.500 5.674 1.800 0.000 1.000
+F-GC6H12O 2 541.500 5.674 1.800 0.000 1.000
+F-HC6H12O 2 541.500 5.674 1.800 0.000 1.000
+G-HC6H12O 2 541.500 5.674 1.800 0.000 1.000
+NEOC6KETFF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETFG 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETFH 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETGF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETGH 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETHF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETHG 2 397.900 5.767 0.000 0.000 1.000
+NEOC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+NEOO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+TC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+TC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+NEOC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+NEOC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+TC4H9CHCHO 2 498.600 6.009 2.000 0.000 1.000
+TC4H8CH2CHO 2 498.600 6.009 2.000 0.000 1.000
+IC4H7CHO 2 476.000 5.778 2.600 0.000 1.000
+IC4H7CO 2 476.000 5.778 2.600 0.000 1.000
+AC3H4CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H5CHCHO 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CHO-B 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CO-B 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BA 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BC 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BD 2 498.600 6.009 2.000 0.000 1.000
+C4H7CHO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-23 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-24 2 476.000 5.778 2.600 0.000 1.000
+C4H7CHO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-21 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-24 2 476.000 5.778 2.600 0.000 1.000
+CH2CCHCH3 2 357.000 4.720 0.000 0.000 1.000
+TC4H9COCH3 2 503.700 6.020 2.000 0.000 1.000
+TC4H9COCH2 2 503.700 6.020 2.000 0.000 1.000
+TC4H8COCH3 2 503.700 6.020 2.000 0.000 1.000
+CH2CCHO 2 428.800 4.958 2.900 0.000 1.000
+IC3H6CHCHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H6CHCO 2 476.000 5.778 2.600 0.000 1.000
+AC3H5CHCHO 2 476.000 5.778 2.600 0.000 1.000
+AC5H9-A1 2 386.600 5.532 0.500 0.000 1.000
+NEOC7H16 2 437.300 6.168 0.000 0.000 1.000
+NC7H15 2 437.300 6.168 0.000 0.000 1.000
+OC7H15 2 437.300 6.168 0.000 0.000 1.000
+PC7H15 2 437.300 6.168 0.000 0.000 1.000
+QC7H15 2 437.300 6.168 0.000 0.000 1.000
+OC7H14 2 439.200 6.151 0.000 0.000 1.000
+PC7H14 2 439.200 6.151 0.000 0.000 1.000
+OC7H13-N 2 437.300 6.168 0.000 0.000 1.000
+PC7H13-N 2 437.300 6.168 0.000 0.000 1.000
+PC7H13-O 2 437.300 6.168 0.000 0.000 1.000
+PC7H13O-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-N2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-N2O2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+N-NC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-OC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-PC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+O-PC7H14O 2 561.000 6.317 1.700 0.000 1.000
+O-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+P-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNP 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETON 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETOP 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETOQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQP 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+PC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+OO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+PO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+IC8H18 2 458.500 6.414 0.000 0.000 1.000
+AC8H17 2 458.500 6.414 0.000 0.000 1.000
+BC8H17 2 458.500 6.414 0.000 0.000 1.000
+CC8H17 2 458.500 6.414 0.000 0.000 1.000
+DC8H17 2 458.500 6.414 0.000 0.000 1.000
+IC8H16 2 485.600 6.440 0.300 0.000 1.000
+JC8H16 2 485.600 6.440 0.300 0.000 1.000
+IC8H15 2 485.600 6.440 0.300 0.000 1.000
+AC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+AC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+AC8H17O 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAA 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAB 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAC 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERBC 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERBD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERCD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERDD 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAB 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAD 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBD 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDB 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDD 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-B 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OH-C 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-BO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16O-BO2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-D 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OH-C 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OH-CO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16O-CO2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16O-DO2H 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OH-CO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16O-CO2H 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CHO-B 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CO-B 2 581.300 6.506 2.000 0.000 1.000
+AC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+CC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+DC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+EC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CHO-D 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CO-D 2 581.300 6.506 2.000 0.000 1.000
+AC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+BC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+CC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+DC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+EC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+IC3H7COC3H7-I 2 561.000 6.317 1.700 0.000 1.000
+IC3H7COC3H6-I 2 561.000 6.317 1.700 0.000 1.000
+IC3H7COC3H6-T 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H5 2 561.000 6.317 1.700 0.000 1.000
+TC4H8COC2H5 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H4S 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H4P 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H11COCH3 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H10COCH3 2 561.000 6.317 1.700 0.000 1.000
+TC4H9CHCOCH3 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H11COCH2 2 561.000 6.317 1.700 0.000 1.000
+NEOC6H13CHO 2 561.000 6.317 1.700 0.000 1.000
+NEOC6H13CO 2 561.000 6.317 1.700 0.000 1.000
+FC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+GC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+HC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+IC4H7COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC4H7COCH2 2 503.700 6.020 2.000 0.000 1.000
+IC3H5CHCOCH3 2 503.700 6.020 2.000 0.000 1.000
+AC3H4CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+XC7H13OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+XC7H13O-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H13OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-X1 2 561.000 6.317 1.700 0.000 1.000
+OC7H13OOH-N 2 561.000 6.317 1.700 0.000 1.000
+OC7H13O-N 2 561.000 6.317 1.700 0.000 1.000
+XC7H13OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+PC7H13OOH-O 2 561.000 6.317 1.700 0.000 1.000
+OC7H13OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+OC7H13O-Q 2 561.000 6.317 1.700 0.000 1.000
+XC7H13OOH-Y2 2 437.300 6.168 0.000 0.000 1.000
+XC7H13O-Y2 2 437.300 6.168 0.000 0.000 1.000
+YC7H13OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-X2 2 561.000 6.317 1.700 0.000 1.000
+CC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+IC3H6CHCOCH3 2 531.165 5.606 0.000 0.000 0.000
+AC3H5CHCOCH3 2 527.994 5.587 0.000 0.000 0.000
+IC3H6CHCOCH2 2 527.994 5.587 0.000 0.000 0.000
+C6H5C2H 2 534.300 5.710 0.770 0.000 1.000
+C4H2 1 357.000 4.720 0.000 0.000 1.000
+NC4H3 2 350.400 4.984 0.000 0.000 1.000
+C7H6 2 495.300 5.680 0.430 12.300 1.000
+C6H5CH3 2 495.300 5.680 0.430 12.300 1.000
+C6H5CH2J 2 495.300 5.680 0.430 12.300 1.000
+OC6H4CH3 2 495.300 5.680 0.430 12.300 1.000
+HOC6H4CH3 2 495.300 5.680 0.430 12.300 1.000
+OC6H4O 2 464.800 5.290 0.000 10.320 1.000
+HOC6H4CH2 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CH2OO 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CH2O 2 546.200 6.000 0.130 15.000 1.000
+RODC6JDO 2 546.200 6.000 0.130 15.000 1.000
+OXCCXCCJXO 2 426.300 5.510 0.000 0.000 1.000
+BICPD 2 630.400 6.180 0.000 16.500 1.000
+C6JYOO 2 546.200 6.000 0.130 15.000 1.000
+CY13PD 2 546.200 6.000 0.130 15.000 1.000
+C6H5OH 2 450.000 5.500 0.000 0.000 1.000
+STYR 2 546.200 6.000 0.130 15.000 1.000
+DICYPD 2 630.400 6.180 0.000 16.500 1.000
+CYC5H9 2 400.000 5.200 0.000 0.000 1.000
+BICPDJ 2 630.400 6.180 0.000 16.500 1.000
+CXCC(C#C)XC 2 630.400 6.180 0.000 16.500 1.000
+CYPDONE 2 484.000 5.100 0.000 0.000 0.000
+HCOCJXO 2 386.200 5.489 0.400 0.000 1.000
+CYC5H5OJ 2 484.000 5.100 0.000 0.000 0.000
+CYC5H5OH 2 484.000 5.100 0.000 0.000 0.000
+CYC5H4OH 2 484.000 5.100 0.000 0.000 0.000
+CPDJONE 2 484.000 5.100 0.000 0.000 0.000
+CXCCXCXO 2 561.000 6.317 1.700 0.000 1.000
+CJXCCXCXO 2 561.000 6.317 1.700 0.000 1.000
+CXCCCJXO 2 561.000 6.317 1.700 0.000 1.000
+CXCCCO2J 2 561.000 6.317 1.700 0.000 1.000
+OXCCXCCXO 2 561.000 6.317 1.700 0.000 1.000
+OXCCXCCJCXO 2 561.000 6.317 1.700 0.000 1.000
+CXOCXCCJ 2 561.000 6.317 1.700 0.000 1.000
+C4H4 2 350.400 4.984 0.000 0.000 1.000
+NC4H5 2 350.400 4.984 0.000 0.000 1.000
+C6H5CH2OOJ 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2OOH 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2OJ 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2OH 2 495.300 5.680 0.430 12.300 1.000
+C6H5CHOH 2 495.300 5.680 0.430 12.300 1.000
+C6H5CHO 2 495.300 5.680 0.430 12.300 1.000
+HOC6H4CH2OOH 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CHO 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CO 2 546.200 6.000 0.130 15.000 1.000
+C6H4OH 2 495.300 5.680 0.430 12.300 1.000
+C6H5O2 2 495.300 5.680 0.430 12.300 1.000
+C6H6 2 468.500 5.230 0.000 10.300 1.000
+CY13PD5J 2 464.800 5.290 0.000 10.320 1.000
+C6H5OJ 2 495.300 5.680 0.430 12.300 1.000
+FULVENE 2 464.800 5.290 0.000 10.320 1.000
+CYC5H8 2 400.000 5.200 0.000 0.000 1.000
+CH2CY24PD 2 484.000 5.100 0.000 0.000 0.000
+CYC6H7 2 468.500 5.230 0.000 0.000 1.000
+CXCCXCCJ 2 386.200 5.489 0.400 0.000 1.000
+LINC6H7 2 485.857 5.328 0.000 0.000 0.000
+CXCCXCC 2 386.200 5.489 0.400 0.000 1.000
+CH3CY24PD 2 484.000 5.100 0.000 0.000 0.000
+CYC5H7U1 2 484.000 5.100 0.000 0.000 0.000
+CXCCJCXC 2 386.200 5.489 0.400 0.000 1.000
+OXCJCXCCXC 2 485.857 5.328 0.000 0.000 0.000
+CJXCCXO 2 386.200 5.489 0.400 0.000 1.000
+HCOHCO 2 386.200 5.489 0.400 0.000 1.000
+CPDOOH 2 484.000 5.100 0.000 0.000 0.000
+OXCCXCCXCJ 2 561.000 6.317 1.700 0.000 1.000
+CXOCCCJCXO 2 561.000 6.317 1.700 0.000 1.000
+CXOCCCJXO 2 561.000 6.317 1.700 0.000 1.000
+CXOCCCXO 2 561.000 6.317 1.700 0.000 1.000
+C14H14 2 676.500 6.310 0.000 20.000 1.000
+C14H13 2 676.500 6.310 0.000 20.000 1.000
+STYLBEN 2 676.500 6.310 0.000 20.000 1.000
+XYLENE 2 546.200 6.000 0.130 15.000 1.000
+IND 2 630.400 6.180 0.000 16.500 1.000
+NAPH 2 630.400 6.180 0.000 16.500 1.000
+CXOCCXO 2 386.200 5.489 0.400 0.000 1.000
+CPDCXC 2 484.000 5.100 0.000 0.000 0.000
+DHCO2J 2 386.200 5.489 0.400 0.000 1.000
+FULVENYL 2 464.800 5.290 0.000 10.320 1.000
+C6H5 2 412.300 5.349 0.000 0.000 1.000
+CPDJCH3 2 464.800 5.290 0.000 10.320 1.000
+C6H4CH3 2 495.300 5.680 0.000 0.000 1.000
+C6H5CJO 2 495.300 5.680 0.430 12.300 1.000
+YOC6JDO 2 495.300 5.680 0.430 12.300 1.000
+CXOCJCXO 2 386.200 5.489 0.400 0.000 1.000
+C6H5C2H5 2 523.600 5.960 0.000 0.000 1.000
+C12H10 2 676.500 6.310 0.000 20.000 1.000
+PHCCHPH 2 676.500 6.310 0.000 20.000 1.000
+O2C6H4CH3 2 546.200 6.000 0.130 15.000 1.000
+RODC6J(C)DO 2 546.200 6.000 0.130 15.000 1.000
+OCCXCCXCJC 2 437.300 6.168 0.000 0.000 1.000
+C6H4 2 412.300 5.349 0.000 0.000 1.000
+CJCXCC#C 2 676.500 6.310 0.000 20.000 1.000
+CXCCXCCOH 2 676.500 6.310 0.000 20.000 1.000
+OC6H4CH2 2 676.500 6.310 0.000 20.000 1.000
+CR1 2 676.500 6.310 0.000 20.000 1.000
+CR2 2 676.500 6.310 0.000 20.000 1.000
+CR3 2 772.000 6.960 0.000 38.800 1.000
+CR4 2 837.500 7.280 0.000 0.000 0.000
+CR5 2 834.900 7.240 0.000 45.000 1.000
+C10H10 2 630.400 6.180 0.000 16.500 1.000
+C10H9 2 630.400 6.180 0.000 16.500 1.000
+C14H13OO 2 676.500 6.310 0.000 20.000 1.000
+C6H5C2H2 2 546.200 6.000 0.130 15.000 1.000
+PHENA 2 772.000 6.960 0.000 38.800 1.000
+C6H5C2H4P 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H4S 2 523.600 5.960 0.000 0.000 1.000
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! AA TRANSPORT !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+N2 1 97.530 3.621 0.000 1.760 4.000
+OH* 1 80.000 2.750 0.000 0.000 0.000
+CH* 1 80.000 2.750 0.000 0.000 0.000
+END
\ No newline at end of file
diff --git a/Exemple/Results extraction merging/similar_therm_model1.txt b/Exemple/Results extraction merging/similar_therm_model1.txt
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/Exemple/Results extraction merging/similar_therm_model2.txt b/Exemple/Results extraction merging/similar_therm_model2.txt
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/Exemple/Results extraction merging/similar_therm_model_core.txt b/Exemple/Results extraction merging/similar_therm_model_core.txt
new file mode 100644
index 0000000000000000000000000000000000000000..afd5b65fb1636ee89cb29b382ffbcc307432b5d8
--- /dev/null
+++ b/Exemple/Results extraction merging/similar_therm_model_core.txt
@@ -0,0 +1,324 @@
+['c3h6ooh2-1', 'c3h6ooh2-2']
+['c3h6ooh1-2o2', 'c3h6ooh2-1o2']
+['ac3h5co', 'cxcccjxo']
+['c4h8ooh2-1', 'c4h8ooh2-4']
+['c4h8ooh1-2o2', 'c4h8ooh1-3o2', 'c4h8ooh2-1o2', 'c4h8ooh2-4o2']
+['tc4h8ooh-io2', 'ic4h8ooh-to2']
+['ac5h11', 'dc5h11']
+['c4h6cho2-21', 'c4h6cho2-24']
+['c4h8cho-2', 'c4h8cho-3']
+['c4h8cho1-2', 'c4h8cho4-2']
+['c5h11o2-2', 'c5h11o2-3']
+['c5h10ooh1-2', 'c5h10ooh1-3', 'c5h10ooh1-4']
+['c5h10ooh2-1', 'c5h10ooh2-5', 'c5h10ooh3-1']
+['c5h10ooh2-3', 'c5h10ooh2-4', 'c5h10ooh3-2']
+['ac5h10ooh-a', 'ac5h10ooh-d']
+['bc5h10ooh-a', 'bc5h10ooh-d']
+['cc5h10ooh-a', 'cc5h10ooh-d']
+['c5h11o2h-2', 'c5h11o2h-3']
+['nc5d1ket53', 'nc5d1ket43', 'nc5d1ket35', 'nc5d1ket54', 'nc5d1ket45', 'nc5d1ket34']
+['nc5ket13', 'nc5ket14']
+['ic5ketaa', 'ic5ketad']
+['c5h81ooh5-4o2', 'c5h81ooh4-5o2']
+['c5h81ooh3-4o2', 'c5h81ooh4-3o2']
+['c5h81ooh5-3o2', 'c5h81ooh3-5o2']
+['c5h82ooh4-5o2', 'c5h82ooh5-4o2']
+['c5h10ooh1-2o2', 'c5h10ooh1-3o2', 'c5h10ooh1-4o2', 'c5h10ooh2-1o2', 'c5h10ooh2-5o2', 'c5h10ooh3-1o2']
+['c5h10ooh2-3o2', 'c5h10ooh2-4o2', 'c5h10ooh3-2o2']
+['ac5h10ooh-bo2', 'bc5h10ooh-ao2']
+['ac5h10ooh-co2', 'cc5h10ooh-ao2', 'cc5h10ooh-do2', 'dc5h10ooh-co2']
+['ac5h10ooh-do2', 'dc5h10ooh-ao2']
+['bc5h10ooh-co2', 'cc5h10ooh-bo2']
+['bc5h10ooh-do2', 'dc5h10ooh-bo2']
+['acc6h9-a', 'acc6h9-d']
+['c6h101-3', 'c6h101-4', 'c6h101-5', 'c6h102-4']
+['c6h111-4', 'c6h111-5']
+['c6h13-2', 'c6h13-3']
+['ac6h13', 'ec6h13']
+['cc6h13', 'dc6h13']
+['etes1', 'mvox', 'vthf', 'edhf']
+['c5h10cho-2', 'c5h10cho-3', 'c5h10cho-4']
+['c4h8coch3-2', 'c4h8coch3-3']
+['c6h11o1-4', 'c6h11o1-5']
+['c3h6coc2h5-1', 'nc3h7coc2h4p']
+['c3h6coc2h5-3', 'nc3h7coc2h4s']
+['c5h10cho1-2', 'c5h10cho5-2']
+['c5h10cho3-2', 'c5h10cho4-2']
+['ic3h6coc2h5', 'ic3h7coc2h4p']
+['ic5h10cho-ba', 'ic5h10cho-bd']
+['c6h12o2-3', 'c6h12o3-4']
+['c6h13o-2', 'c6h13o-3']
+['c6h12oh-2', 'c6h12oh-3']
+['cc6h13o', 'dc6h13o']
+['c6h112o2-1', 'c6h111o2-3']
+['c6h111o2-4', 'c6h111o2-5']
+['c6h101ooh3-4', 'c6h101ooh3-5']
+['c6h101ooh4-3', 'c6h101ooh5-3']
+['c6h101ooh4-5', 'c6h101ooh5-4']
+['c6h101ooh6-4', 'c6h101ooh6-5']
+['c6h11ooh1-4', 'c6h11ooh1-5']
+['c6h111o2h-4', 'c6h111o2h-5']
+['c6h13o2-2', 'c6h13o2-3']
+['c6h12ooh1-2', 'c6h12ooh1-3', 'c6h12ooh1-4', 'c6h12ooh1-5']
+['c6h12ooh2-1', 'c6h12ooh2-6', 'c6h12ooh3-1', 'c6h12ooh3-6']
+['c6h12ooh2-3', 'c6h12ooh2-4', 'c6h12ooh2-5', 'c6h12ooh3-2', 'c6h12ooh3-4', 'c6h12ooh3-5']
+['cc6h13o2', 'dc6h13o2']
+['ac6h12ooh-a', 'ac6h12ooh-e']
+['ac6h12ooh-c', 'ac6h12ooh-d']
+['bc6h12ooh-a', 'bc6h12ooh-e']
+['bc6h12ooh-c', 'bc6h12ooh-d']
+['cc6h12ooh-a', 'dc6h12ooh-a']
+['cc6h12ooh-b', 'dc6h12ooh-b']
+['cc6h12ooh-d', 'dc6h12ooh-c']
+['cc6h12ooh-e', 'dc6h12ooh-e']
+['ec6h12ooh-c', 'ec6h12ooh-d']
+['fc6h12ooh-f', 'fc6h12ooh-h']
+['c6h13o2h-2', 'c6h13o2h-3']
+['cc6h13o2h', 'dc6h13o2h']
+['nc6d2ket54', 'nc6d2ket56']
+['nc6ket13', 'nc6ket14', 'nc6ket15']
+['nc6ket24', 'nc6ket25']
+['nc6ket31', 'nc6ket36']
+['nc6ket32', 'nc6ket34']
+['ic6ketaa', 'ic6ketae']
+['ic6ketac', 'ic6ketad']
+['o2c6h12oh-2', 'o2c6h12oh-3']
+['c6h101ooh3-4o2', 'c6h101ooh3-5o2', 'c6h101ooh4-3o2', 'c6h101ooh5-3o2']
+['c6h101ooh3-6o2', 'c6h101ooh6-3o2']
+['c6h101ooh4-5o2', 'c6h101ooh5-4o2']
+['c6h101ooh4-6o2', 'c6h101ooh5-6o2', 'c6h101ooh6-4o2', 'c6h101ooh6-5o2']
+['c6h102ooh4-5o2', 'c6h102ooh5-4o2']
+['c6h102ooh4-6o2', 'c6h102ooh6-4o2']
+['c6h102ooh5-6o2', 'c6h102ooh6-5o2']
+['c6h103ooh2-1o2', 'c6h103ooh1-2o2']
+['c6h12ooh1-2o2', 'c6h12ooh1-3o2', 'c6h12ooh1-4o2', 'c6h12ooh1-5o2', 'c6h12ooh2-1o2', 'c6h12ooh2-6o2', 'c6h12ooh3-1o2', 'c6h12ooh3-6o2']
+['c6h12ooh2-3o2', 'c6h12ooh2-4o2', 'c6h12ooh2-5o2', 'c6h12ooh3-2o2', 'c6h12ooh3-4o2', 'c6h12ooh3-5o2']
+['ac6h12ooh-bo2', 'bc6h12ooh-ao2', 'bc6h12ooh-eo2', 'ec6h12ooh-bo2']
+['ac6h12ooh-co2', 'ac6h12ooh-do2', 'cc6h12ooh-ao2', 'dc6h12ooh-ao2']
+['ac6h12ooh-eo2', 'ec6h12ooh-ao2']
+['bc6h12ooh-co2', 'bc6h12ooh-do2', 'cc6h12ooh-bo2', 'dc6h12ooh-bo2']
+['cc6h12ooh-do2', 'dc6h12ooh-co2']
+['cc6h12ooh-eo2', 'dc6h12ooh-eo2', 'ec6h12ooh-co2', 'ec6h12ooh-do2']
+['fc6h12ooh-fo2', 'fc6h12ooh-ho2', 'hc6h12ooh-fo2']
+['fc6h12ooh-go2', 'gc6h12ooh-fo2']
+['gc6h12ooh-ho2', 'hc6h12ooh-go2']
+['c7h131-4', 'c7h131-5', 'c7h131-6']
+['c7h132-5', 'c7h132-6']
+['c7h133-1', 'c7h133-7']
+['c7h15-2', 'c7h15-3']
+['oc7h15', 'pc7h15']
+['ac6h12cho-b', 'ec6h12cho-b']
+['cc6h12cho-b', 'dc6h12cho-b']
+['ac6h12cho-d', 'ec6h12cho-d']
+['tc4h8coc2h5', 'tc4h9coc2h4p']
+['neoc5h10coch3', 'neoc5h11coch2']
+['c7h14o2-3', 'c7h14o3-4']
+['c7h14o2-4', 'c7h14o3-5']
+['c7h15o-2', 'c7h15o-3']
+['c7h14oh-2', 'c7h14oh-3']
+['oc7h15o', 'pc7h15o']
+['hoc6h4ch2o', 'o2c6h4ch3', 'rodc6j(c)do']
+['c7h15o2-2', 'c7h15o2-3']
+['c7h14ooh1-2', 'c7h14ooh1-3', 'c7h14ooh1-4', 'c7h14ooh1-5']
+['c7h14ooh2-1', 'c7h14ooh3-1', 'c7h14ooh3-7']
+['c7h14ooh2-3', 'c7h14ooh2-4', 'c7h14ooh2-5', 'c7h14ooh2-6', 'c7h14ooh3-2', 'c7h14ooh3-4', 'c7h14ooh3-5', 'c7h14ooh3-6']
+['c7h14ooh4-2', 'c7h14ooh4-3']
+['xc7h14ooh-x1', 'xc7h14ooh-x2']
+['xc7h14ooh-y1', 'xc7h14ooh-y2']
+['yc7h14ooh-x1', 'yc7h14ooh-x2']
+['oc7h15o2', 'pc7h15o2']
+['nc7h14ooh-n2', 'nc7h14ooh-q', 'qc7h14ooh-n']
+['nc7h14ooh-o', 'nc7h14ooh-p']
+['qc7h14ooh-o', 'qc7h14ooh-p']
+['oc7h14ooh-n', 'pc7h14ooh-n']
+['oc7h14ooh-q', 'pc7h14ooh-q']
+['oc7h14ooh-p', 'pc7h14ooh-o']
+['c7h15o2h-2', 'c7h15o2h-3']
+['oc7h15o2h', 'pc7h15o2h']
+['nc7ket13', 'nc7ket14', 'nc7ket15']
+['nc7ket24', 'nc7ket25', 'nc7ket26', 'nc7ket35', 'nc7ket36']
+['nc7ket31', 'nc7ket37', 'nc7ket41']
+['nc7ket32', 'nc7ket34']
+['nc7ket42', 'nc7ket43']
+['neoc7ketno', 'neoc7ketnp']
+['o2c7h14oh-2', 'o2c7h14oh-3']
+['c7h14ooh1-2o2', 'c7h14ooh1-3o2', 'c7h14ooh1-4o2', 'c7h14ooh1-5o2', 'c7h14ooh2-1o2', 'c7h14ooh3-1o2', 'c7h14ooh3-7o2', 'c7h14ooh4-1o2']
+['c7h14ooh2-3o2', 'c7h14ooh2-4o2', 'c7h14ooh2-5o2', 'c7h14ooh2-6o2', 'c7h14ooh3-2o2', 'c7h14ooh3-4o2', 'c7h14ooh3-5o2', 'c7h14ooh3-6o2', 'c7h14ooh4-2o2', 'c7h14ooh4-3o2']
+['xc7h14ooh-x1o2', 'xc7h14ooh-x2o2']
+['xc7h14ooh-y1o2', 'xc7h14ooh-y2o2', 'yc7h14ooh-x1o2', 'yc7h14ooh-x2o2']
+['xc7h14ooh-zo2', 'zc7h14ooh-xo2']
+['yc7h14ooh-zo2', 'zc7h14ooh-yo2']
+['nc7h14ooh-n2o2', 'nc7h14ooh-qo2', 'qc7h14ooh-no2']
+['nc7h14ooh-oo2', 'nc7h14ooh-po2', 'oc7h14ooh-no2', 'pc7h14ooh-no2']
+['qc7h14ooh-oo2', 'qc7h14ooh-po2', 'oc7h14ooh-qo2', 'pc7h14ooh-qo2']
+['oc7h14ooh-po2', 'pc7h14ooh-oo2']
+['ac8h16ooh-a', 'ac8h16ooh-d']
+['ic8ketaa', 'ic8ketad']
+['ac8h16ooh-ao2', 'ac8h16ooh-do2', 'dc8h16ooh-ao2']
+['ac8h16ooh-bo2', 'bc8h16ooh-ao2']
+['ac8h16ooh-co2', 'cc8h16ooh-ao2']
+['bc8h16ooh-co2', 'cc8h16ooh-bo2']
+['bc8h16ooh-do2', 'dc8h16ooh-bo2']
+['cc8h16ooh-do2', 'dc8h16ooh-co2']
+['c3h6ooh2-1', 'c3h6ooh2-2']
+['c3h6ooh1-2o2', 'c3h6ooh2-1o2']
+['ac3h5co', 'cxcccjxo']
+['c4h8ooh2-1', 'c4h8ooh2-4']
+['c4h8ooh1-2o2', 'c4h8ooh1-3o2', 'c4h8ooh2-1o2', 'c4h8ooh2-4o2']
+['tc4h8ooh-io2', 'ic4h8ooh-to2']
+['ac5h11', 'dc5h11']
+['c4h6cho2-21', 'c4h6cho2-24']
+['c4h8cho-2', 'c4h8cho-3']
+['c4h8cho1-2', 'c4h8cho4-2']
+['c5h11o2-2', 'c5h11o2-3']
+['c5h10ooh1-2', 'c5h10ooh1-3', 'c5h10ooh1-4']
+['c5h10ooh2-1', 'c5h10ooh2-5', 'c5h10ooh3-1']
+['c5h10ooh2-3', 'c5h10ooh2-4', 'c5h10ooh3-2']
+['ac5h10ooh-a', 'ac5h10ooh-d']
+['bc5h10ooh-a', 'bc5h10ooh-d']
+['cc5h10ooh-a', 'cc5h10ooh-d']
+['c5h11o2h-2', 'c5h11o2h-3']
+['nc5d1ket53', 'nc5d1ket43', 'nc5d1ket35', 'nc5d1ket54', 'nc5d1ket45', 'nc5d1ket34']
+['nc5ket13', 'nc5ket14']
+['ic5ketaa', 'ic5ketad']
+['c5h81ooh5-4o2', 'c5h81ooh4-5o2']
+['c5h81ooh3-4o2', 'c5h81ooh4-3o2']
+['c5h81ooh5-3o2', 'c5h81ooh3-5o2']
+['c5h82ooh4-5o2', 'c5h82ooh5-4o2']
+['c5h10ooh1-2o2', 'c5h10ooh1-3o2', 'c5h10ooh1-4o2', 'c5h10ooh2-1o2', 'c5h10ooh2-5o2', 'c5h10ooh3-1o2']
+['c5h10ooh2-3o2', 'c5h10ooh2-4o2', 'c5h10ooh3-2o2']
+['ac5h10ooh-bo2', 'bc5h10ooh-ao2']
+['ac5h10ooh-co2', 'cc5h10ooh-ao2', 'cc5h10ooh-do2', 'dc5h10ooh-co2']
+['ac5h10ooh-do2', 'dc5h10ooh-ao2']
+['bc5h10ooh-co2', 'cc5h10ooh-bo2']
+['bc5h10ooh-do2', 'dc5h10ooh-bo2']
+['acc6h9-a', 'acc6h9-d']
+['c6h101-3', 'c6h101-4', 'c6h101-5', 'c6h102-4']
+['c6h111-4', 'c6h111-5']
+['c6h13-2', 'c6h13-3']
+['ac6h13', 'ec6h13']
+['cc6h13', 'dc6h13']
+['etes1', 'mvox', 'vthf', 'edhf']
+['c5h10cho-2', 'c5h10cho-3', 'c5h10cho-4']
+['c4h8coch3-2', 'c4h8coch3-3']
+['c6h11o1-4', 'c6h11o1-5']
+['c3h6coc2h5-1', 'nc3h7coc2h4p']
+['c3h6coc2h5-3', 'nc3h7coc2h4s']
+['c5h10cho1-2', 'c5h10cho5-2']
+['c5h10cho3-2', 'c5h10cho4-2']
+['ic3h6coc2h5', 'ic3h7coc2h4p']
+['ic5h10cho-ba', 'ic5h10cho-bd']
+['c6h12o2-3', 'c6h12o3-4']
+['c6h13o-2', 'c6h13o-3']
+['c6h12oh-2', 'c6h12oh-3']
+['cc6h13o', 'dc6h13o']
+['c6h112o2-1', 'c6h111o2-3']
+['c6h111o2-4', 'c6h111o2-5']
+['c6h101ooh3-4', 'c6h101ooh3-5']
+['c6h101ooh4-3', 'c6h101ooh5-3']
+['c6h101ooh4-5', 'c6h101ooh5-4']
+['c6h101ooh6-4', 'c6h101ooh6-5']
+['c6h11ooh1-4', 'c6h11ooh1-5']
+['c6h111o2h-4', 'c6h111o2h-5']
+['c6h13o2-2', 'c6h13o2-3']
+['c6h12ooh1-2', 'c6h12ooh1-3', 'c6h12ooh1-4', 'c6h12ooh1-5']
+['c6h12ooh2-1', 'c6h12ooh2-6', 'c6h12ooh3-1', 'c6h12ooh3-6']
+['c6h12ooh2-3', 'c6h12ooh2-4', 'c6h12ooh2-5', 'c6h12ooh3-2', 'c6h12ooh3-4', 'c6h12ooh3-5']
+['cc6h13o2', 'dc6h13o2']
+['ac6h12ooh-a', 'ac6h12ooh-e']
+['ac6h12ooh-c', 'ac6h12ooh-d']
+['bc6h12ooh-a', 'bc6h12ooh-e']
+['bc6h12ooh-c', 'bc6h12ooh-d']
+['cc6h12ooh-a', 'dc6h12ooh-a']
+['cc6h12ooh-b', 'dc6h12ooh-b']
+['cc6h12ooh-d', 'dc6h12ooh-c']
+['cc6h12ooh-e', 'dc6h12ooh-e']
+['ec6h12ooh-c', 'ec6h12ooh-d']
+['fc6h12ooh-f', 'fc6h12ooh-h']
+['c6h13o2h-2', 'c6h13o2h-3']
+['cc6h13o2h', 'dc6h13o2h']
+['nc6d2ket54', 'nc6d2ket56']
+['nc6ket13', 'nc6ket14', 'nc6ket15']
+['nc6ket24', 'nc6ket25']
+['nc6ket31', 'nc6ket36']
+['nc6ket32', 'nc6ket34']
+['ic6ketaa', 'ic6ketae']
+['ic6ketac', 'ic6ketad']
+['o2c6h12oh-2', 'o2c6h12oh-3']
+['c6h101ooh3-4o2', 'c6h101ooh3-5o2', 'c6h101ooh4-3o2', 'c6h101ooh5-3o2']
+['c6h101ooh3-6o2', 'c6h101ooh6-3o2']
+['c6h101ooh4-5o2', 'c6h101ooh5-4o2']
+['c6h101ooh4-6o2', 'c6h101ooh5-6o2', 'c6h101ooh6-4o2', 'c6h101ooh6-5o2']
+['c6h102ooh4-5o2', 'c6h102ooh5-4o2']
+['c6h102ooh4-6o2', 'c6h102ooh6-4o2']
+['c6h102ooh5-6o2', 'c6h102ooh6-5o2']
+['c6h103ooh2-1o2', 'c6h103ooh1-2o2']
+['c6h12ooh1-2o2', 'c6h12ooh1-3o2', 'c6h12ooh1-4o2', 'c6h12ooh1-5o2', 'c6h12ooh2-1o2', 'c6h12ooh2-6o2', 'c6h12ooh3-1o2', 'c6h12ooh3-6o2']
+['c6h12ooh2-3o2', 'c6h12ooh2-4o2', 'c6h12ooh2-5o2', 'c6h12ooh3-2o2', 'c6h12ooh3-4o2', 'c6h12ooh3-5o2']
+['ac6h12ooh-bo2', 'bc6h12ooh-ao2', 'bc6h12ooh-eo2', 'ec6h12ooh-bo2']
+['ac6h12ooh-co2', 'ac6h12ooh-do2', 'cc6h12ooh-ao2', 'dc6h12ooh-ao2']
+['ac6h12ooh-eo2', 'ec6h12ooh-ao2']
+['bc6h12ooh-co2', 'bc6h12ooh-do2', 'cc6h12ooh-bo2', 'dc6h12ooh-bo2']
+['cc6h12ooh-do2', 'dc6h12ooh-co2']
+['cc6h12ooh-eo2', 'dc6h12ooh-eo2', 'ec6h12ooh-co2', 'ec6h12ooh-do2']
+['fc6h12ooh-fo2', 'fc6h12ooh-ho2', 'hc6h12ooh-fo2']
+['fc6h12ooh-go2', 'gc6h12ooh-fo2']
+['gc6h12ooh-ho2', 'hc6h12ooh-go2']
+['c7h131-4', 'c7h131-5', 'c7h131-6']
+['c7h132-5', 'c7h132-6']
+['c7h133-1', 'c7h133-7']
+['c7h15-2', 'c7h15-3']
+['oc7h15', 'pc7h15']
+['ac6h12cho-b', 'ec6h12cho-b']
+['cc6h12cho-b', 'dc6h12cho-b']
+['ac6h12cho-d', 'ec6h12cho-d']
+['tc4h8coc2h5', 'tc4h9coc2h4p']
+['neoc5h10coch3', 'neoc5h11coch2']
+['c7h14o2-3', 'c7h14o3-4']
+['c7h14o2-4', 'c7h14o3-5']
+['c7h15o-2', 'c7h15o-3']
+['c7h14oh-2', 'c7h14oh-3']
+['oc7h15o', 'pc7h15o']
+['hoc6h4ch2o', 'o2c6h4ch3', 'rodc6j(c)do']
+['c7h15o2-2', 'c7h15o2-3']
+['c7h14ooh1-2', 'c7h14ooh1-3', 'c7h14ooh1-4', 'c7h14ooh1-5']
+['c7h14ooh2-1', 'c7h14ooh3-1', 'c7h14ooh3-7']
+['c7h14ooh2-3', 'c7h14ooh2-4', 'c7h14ooh2-5', 'c7h14ooh2-6', 'c7h14ooh3-2', 'c7h14ooh3-4', 'c7h14ooh3-5', 'c7h14ooh3-6']
+['c7h14ooh4-2', 'c7h14ooh4-3']
+['xc7h14ooh-x1', 'xc7h14ooh-x2']
+['xc7h14ooh-y1', 'xc7h14ooh-y2']
+['yc7h14ooh-x1', 'yc7h14ooh-x2']
+['oc7h15o2', 'pc7h15o2']
+['nc7h14ooh-n2', 'nc7h14ooh-q', 'qc7h14ooh-n']
+['nc7h14ooh-o', 'nc7h14ooh-p']
+['qc7h14ooh-o', 'qc7h14ooh-p']
+['oc7h14ooh-n', 'pc7h14ooh-n']
+['oc7h14ooh-q', 'pc7h14ooh-q']
+['oc7h14ooh-p', 'pc7h14ooh-o']
+['c7h15o2h-2', 'c7h15o2h-3']
+['oc7h15o2h', 'pc7h15o2h']
+['nc7ket13', 'nc7ket14', 'nc7ket15']
+['nc7ket24', 'nc7ket25', 'nc7ket26', 'nc7ket35', 'nc7ket36']
+['nc7ket31', 'nc7ket37', 'nc7ket41']
+['nc7ket32', 'nc7ket34']
+['nc7ket42', 'nc7ket43']
+['neoc7ketno', 'neoc7ketnp']
+['o2c7h14oh-2', 'o2c7h14oh-3']
+['c7h14ooh1-2o2', 'c7h14ooh1-3o2', 'c7h14ooh1-4o2', 'c7h14ooh1-5o2', 'c7h14ooh2-1o2', 'c7h14ooh3-1o2', 'c7h14ooh3-7o2', 'c7h14ooh4-1o2']
+['c7h14ooh2-3o2', 'c7h14ooh2-4o2', 'c7h14ooh2-5o2', 'c7h14ooh2-6o2', 'c7h14ooh3-2o2', 'c7h14ooh3-4o2', 'c7h14ooh3-5o2', 'c7h14ooh3-6o2', 'c7h14ooh4-2o2', 'c7h14ooh4-3o2']
+['xc7h14ooh-x1o2', 'xc7h14ooh-x2o2']
+['xc7h14ooh-y1o2', 'xc7h14ooh-y2o2', 'yc7h14ooh-x1o2', 'yc7h14ooh-x2o2']
+['xc7h14ooh-zo2', 'zc7h14ooh-xo2']
+['yc7h14ooh-zo2', 'zc7h14ooh-yo2']
+['nc7h14ooh-n2o2', 'nc7h14ooh-qo2', 'qc7h14ooh-no2']
+['nc7h14ooh-oo2', 'nc7h14ooh-po2', 'oc7h14ooh-no2', 'pc7h14ooh-no2']
+['qc7h14ooh-oo2', 'qc7h14ooh-po2', 'oc7h14ooh-qo2', 'pc7h14ooh-qo2']
+['oc7h14ooh-po2', 'pc7h14ooh-oo2']
+['ac8h16ooh-a', 'ac8h16ooh-d']
+['ic8ketaa', 'ic8ketad']
+['ac8h16ooh-ao2', 'ac8h16ooh-do2', 'dc8h16ooh-ao2']
+['ac8h16ooh-bo2', 'bc8h16ooh-ao2']
+['ac8h16ooh-co2', 'cc8h16ooh-ao2']
+['bc8h16ooh-co2', 'cc8h16ooh-bo2']
+['bc8h16ooh-do2', 'dc8h16ooh-bo2']
+['cc8h16ooh-do2', 'dc8h16ooh-co2']
diff --git a/Exemple/Results extraction merging/similar_therm_model_to_translate.txt b/Exemple/Results extraction merging/similar_therm_model_to_translate.txt
new file mode 100644
index 0000000000000000000000000000000000000000..ec50def179b037a7ec76e2b7682626832bb053d9
--- /dev/null
+++ b/Exemple/Results extraction merging/similar_therm_model_to_translate.txt
@@ -0,0 +1,56 @@
+['c3h6ooh2-1', 'c3h6ooh2-2']
+['c3h6ooh1-2o2', 'c3h6ooh2-1o2']
+['ch3chchco', 'ch2chchcho']
+['c4h8ooh2-1', 'c4h8ooh2-4']
+['c4h8ooh1-2o2', 'c4h8ooh1-3o2', 'c4h8ooh2-1o2', 'c4h8ooh2-4o2']
+['tc4h8ooh-io2', 'ic4h8ooh-to2']
+['pbketba', 'pbketbc', 'pbketab', 'pbketac', 'pbketcb', 'pbketca']
+['pbzohaqjb', 'pbzohbqja']
+['pbzohbqjc', 'pbzohcqjb']
+['pboohbooa', 'pboohaoob']
+['pboohcoob', 'pboohbooc']
+['bc6h5c4h8', 'cc6h5c4h8']
+['c6h5c4h8ojb', 'c6h5c4h8ojc']
+['bbzqdrc', 'bbzqdrb']
+['bbzqcrd', 'bbzqbrd']
+['bbzqcrb', 'bbzqbrc']
+['bbzqcra', 'bbzqbra']
+['bbzqarc', 'bbzqarb']
+['c6h5c4h8qja', 'c6h5c4h8qjc']
+['bbzqb', 'bbzqc']
+['bbzocqd', 'bbzocqb']
+['bbzohdqjc', 'bbzohcqjd']
+['bbzohcqjb', 'bbzohbqjc']
+['bbzohaqjb', 'bbzohbqja']
+['bbzqdqjc', 'bbzqdqjb', 'bbzqcqjd', 'bbzqbqjd']
+['bbzqdqja', 'bbzqaqjd']
+['bbzqaqjb', 'bbzqbqja', 'bbzqaqjc', 'bbzqcqja']
+['bbzqcqjb', 'bbzqbqjc']
+['c3h6ooh2-1', 'c3h6ooh2-2']
+['c3h6ooh1-2o2', 'c3h6ooh2-1o2']
+['ch3chchco', 'ch2chchcho']
+['c4h8ooh2-1', 'c4h8ooh2-4']
+['c4h8ooh1-2o2', 'c4h8ooh1-3o2', 'c4h8ooh2-1o2', 'c4h8ooh2-4o2']
+['tc4h8ooh-io2', 'ic4h8ooh-to2']
+['pbketba', 'pbketbc', 'pbketab', 'pbketac', 'pbketcb', 'pbketca']
+['pbzohaqjb', 'pbzohbqja']
+['pbzohbqjc', 'pbzohcqjb']
+['pboohbooa', 'pboohaoob']
+['pboohcoob', 'pboohbooc']
+['bc6h5c4h8', 'cc6h5c4h8']
+['c6h5c4h8ojb', 'c6h5c4h8ojc']
+['bbzqdrc', 'bbzqdrb']
+['bbzqcrd', 'bbzqbrd']
+['bbzqcrb', 'bbzqbrc']
+['bbzqcra', 'bbzqbra']
+['bbzqarc', 'bbzqarb']
+['c6h5c4h8qja', 'c6h5c4h8qjc']
+['bbzqb', 'bbzqc']
+['bbzocqd', 'bbzocqb']
+['bbzohdqjc', 'bbzohcqjd']
+['bbzohcqjb', 'bbzohbqjc']
+['bbzohaqjb', 'bbzohbqja']
+['bbzqdqjc', 'bbzqdqjb', 'bbzqcqjd', 'bbzqbqjd']
+['bbzqdqja', 'bbzqaqjd']
+['bbzqaqjb', 'bbzqbqja', 'bbzqaqjc', 'bbzqcqja']
+['bbzqcqjb', 'bbzqbqjc']
diff --git a/Exemple/Results Directory/tmp_species_traduction.inp b/Exemple/Results extraction merging/tmp_species_traduction.inp
similarity index 100%
rename from Exemple/Results Directory/tmp_species_traduction.inp
rename to Exemple/Results extraction merging/tmp_species_traduction.inp
diff --git a/Exemple/Results Directory/tmp_species_traduction.tmp b/Exemple/Results extraction merging/tmp_species_traduction.tmp
similarity index 100%
rename from Exemple/Results Directory/tmp_species_traduction.tmp
rename to Exemple/Results extraction merging/tmp_species_traduction.tmp
diff --git a/Exemple/Results full merging/AA.pick b/Exemple/Results full merging/AA.pick
new file mode 100644
index 0000000000000000000000000000000000000000..8e403ab738d9939437f4ed74b3191ee6576d0725
Binary files /dev/null and b/Exemple/Results full merging/AA.pick differ
diff --git a/Exemple/Results full merging/LLNL.pick b/Exemple/Results full merging/LLNL.pick
new file mode 100644
index 0000000000000000000000000000000000000000..6b27da844868dec77a8e3af598e598cb9d5d0ff4
Binary files /dev/null and b/Exemple/Results full merging/LLNL.pick differ
diff --git a/Exemple/Results full merging/all_comparisons.log b/Exemple/Results full merging/all_comparisons.log
new file mode 100644
index 0000000000000000000000000000000000000000..98f84c953b325800e1c3d329bb675f6256ca0268
--- /dev/null
+++ b/Exemple/Results full merging/all_comparisons.log
@@ -0,0 +1,1084 @@
+{'ar': 1}
+AA : ar
+LLNL : ar
+
+{'he': 1}
+AA : he
+LLNL : he
+
+{'h': 1}
+AA : h
+LLNL : h
+
+{'h': 2}
+AA : h2
+LLNL : h2
+
+{'n': 2}
+AA : n2
+LLNL :
+
+{'o': 1}
+AA : o
+LLNL : o
+
+{'o': 1, 'h': 1}
+AA : oh oh*
+LLNL : oh
+
+{'o': 1, 'h': 2}
+AA : h2o
+LLNL : h2o
+
+{'o': 2}
+AA : o2
+LLNL : o2
+
+{'o': 2, 'h': 1}
+AA : ho2
+LLNL : ho2
+
+{'o': 2, 'h': 2}
+AA : h2o2
+LLNL : h2o2
+
+{'c': 1}
+AA : c
+LLNL : c
+
+{'c': 1, 'h': 1}
+AA : ch ch*
+LLNL : ch
+
+{'c': 1, 'h': 2}
+AA : ch2 ch2(s)
+LLNL : ch2 ch2(s)
+
+{'c': 1, 'h': 3}
+AA : ch3
+LLNL : ch3
+
+{'c': 1, 'h': 4}
+AA : ch4
+LLNL : ch4
+
+{'c': 1, 'o': 1}
+AA : co
+LLNL : co
+
+{'c': 1, 'o': 1, 'h': 1}
+AA : hco
+LLNL : hco
+
+{'c': 1, 'o': 1, 'h': 2}
+AA : ch2o hcoh
+LLNL : ch2o
+
+{'c': 1, 'o': 1, 'h': 3}
+AA : ch2oh ch3o
+LLNL : ch2oh ch3o
+
+{'c': 1, 'o': 1, 'h': 4}
+AA : ch3oh
+LLNL : ch3oh
+
+{'c': 1, 'o': 2}
+AA : co2
+LLNL : co2
+
+{'c': 1, 'o': 2, 'h': 1}
+AA : hoco ocho
+LLNL : ocho
+
+{'c': 1, 'o': 2, 'h': 2}
+AA : hocho
+LLNL : hocho
+
+{'c': 1, 'o': 2, 'h': 3}
+AA : hoch2o ch3o2 ch2o2h
+LLNL : hoch2o ch3o2 ch2o2h
+
+{'c': 1, 'o': 2, 'h': 4}
+AA : ch3o2h
+LLNL : ch3o2h
+
+{'c': 1, 'o': 3, 'h': 1}
+AA : o2cho
+LLNL : o2cho
+
+{'c': 1, 'o': 3, 'h': 2}
+AA : ho2cho
+LLNL : ho2cho
+
+{'c': 1, 'o': 3, 'h': 3}
+AA : hoch2o2 och2o2h
+LLNL : hoch2o2 och2o2h
+
+{'c': 1, 'o': 3, 'h': 4}
+AA : hoch2o2h
+LLNL : hoch2o2h
+
+{'c': 2, 'h': 1}
+AA : c2h
+LLNL : c2h
+
+{'c': 2, 'h': 2}
+AA : c2h2 h2cc
+LLNL : c2h2
+
+{'c': 2, 'h': 3}
+AA : c2h3
+LLNL : c2h3
+
+{'c': 2, 'h': 4}
+AA : c2h4
+LLNL : c2h4
+
+{'c': 2, 'h': 5}
+AA : c2h5
+LLNL : c2h5
+
+{'c': 2, 'h': 6}
+AA : c2h6
+LLNL : c2h6
+
+{'c': 2, 'o': 1, 'h': 1}
+AA : hcco
+LLNL : hcco
+
+{'c': 2, 'o': 1, 'h': 2}
+AA : ch2co hccoh
+LLNL : ch2co hccoh
+
+{'c': 2, 'o': 1, 'h': 3}
+AA : ch3co ch2cho c2h3o1-2 c2h2oh
+LLNL : ch3co ch2cho c2h3o1-2
+
+{'c': 2, 'o': 1, 'h': 4}
+AA : ch3cho c2h4o1-2 c2h3oh
+LLNL : ch3cho c2h4o1-2
+
+{'c': 2, 'o': 1, 'h': 5}
+AA : pc2h4oh sc2h4oh c2h5o ch3och2
+LLNL : pc2h4oh sc2h4oh c2h5o ch3och2
+
+{'c': 2, 'o': 1, 'h': 6}
+AA : c2h5oh ch3och3
+LLNL : c2h5oh ch3och3
+
+{'c': 2, 'o': 2, 'h': 1}
+AA :
+LLNL : hcocjxo
+
+{'c': 2, 'o': 2, 'h': 2}
+AA : chocho
+LLNL : hcohco
+
+{'c': 2, 'o': 2, 'h': 3}
+AA : ch3co2 ch3oco ch2ocho
+LLNL : ch3co2 ch3oco ch2ocho
+
+{'c': 2, 'o': 2, 'h': 4}
+AA : ch3ocho c2h3ooh
+LLNL : ch3ocho c2h3ooh
+
+{'c': 2, 'o': 2, 'h': 5}
+AA : c2h5o2 c2h4o2h ch3och2o
+LLNL : c2h5o2 c2h4o2h ch3och2o
+
+{'c': 2, 'o': 2, 'h': 6}
+AA : c2h5o2h
+LLNL : c2h5o2h
+
+{'c': 2, 'o': 3, 'h': 3}
+AA : ch3co3 och2ocho hoch2oco o2ch2cho ho2ch2co
+LLNL : ch3co3 och2ocho hoch2oco
+
+{'c': 2, 'o': 3, 'h': 4}
+AA : ch3co3h
+LLNL : ch3co3h
+
+{'c': 2, 'o': 3, 'h': 5}
+AA : o2c2h4oh ch3och2o2 ch2och2o2h
+LLNL : o2c2h4oh ch3och2o2 ch2och2o2h
+
+{'c': 2, 'o': 3, 'h': 6}
+AA : ch3och2o2h
+LLNL : ch3och2o2h
+
+{'c': 2, 'o': 4, 'h': 1}
+AA : o2cchooj
+LLNL : dhco2j
+
+{'c': 2, 'o': 4, 'h': 4}
+AA : ho2ch2ocho
+LLNL : ho2ch2ocho
+
+{'c': 2, 'o': 5, 'h': 5}
+AA : o2ch2och2o2h
+LLNL : o2ch2och2o2h
+
+{'c': 3, 'h': 2}
+AA : c3h2 c3h2(s)
+LLNL : c3h2
+
+{'c': 3, 'h': 3}
+AA : c3h3
+LLNL : c3h3
+
+{'c': 3, 'h': 4}
+AA : c3h4-a c3h4-p cc3h4
+LLNL : c3h4-a c3h4-p
+
+{'c': 3, 'h': 5}
+AA : c3h5-a c3h5-t c3h5-s
+LLNL : c3h5-a c3h5-t c3h5-s
+
+{'c': 3, 'h': 6}
+AA : c3h6
+LLNL : c3h6
+
+{'c': 3, 'h': 7}
+AA : nc3h7 ic3h7
+LLNL : nc3h7 ic3h7
+
+{'c': 3, 'h': 8}
+AA : c3h8
+LLNL : c3h8
+
+{'c': 3, 'o': 1, 'h': 3}
+AA : c2h3co cj*cc*o
+LLNL : c2h3co chchcho ch2ccho cjxccxo
+
+{'c': 3, 'o': 1, 'h': 4}
+AA : c2h3cho ch3chco
+LLNL : c2h3cho ch3chco
+
+{'c': 3, 'o': 1, 'h': 5}
+AA : ch3coch2 c2h5co ch2ch2cho c3h5o ch2cch2oh
+LLNL : ch3coch2 c2h5co ch2ch2cho ch3chcho c3h5o ch2cch2oh
+
+{'c': 3, 'o': 1, 'h': 6}
+AA : ch3coch3 c2h5cho c3h6o1-3 c3h6o1-2 ic3h5oh c3h5oh
+LLNL : ch3coch3 c2h5cho c3h6o1-3 c3h6o1-2 ic3h5oh c3h5oh
+
+{'c': 3, 'o': 1, 'h': 7}
+AA : nc3h7o ic3h7o c3h6oh tc3h6oh
+LLNL : nc3h7o ic3h7o c3h6oh tc3h6oh
+
+{'c': 3, 'o': 2, 'h': 3}
+AA : hoc*ccj*o
+LLNL : cxocjcxo
+
+{'c': 3, 'o': 2, 'h': 4}
+AA : hoc*cc*o
+LLNL : cxoccxo
+
+{'c': 3, 'o': 2, 'h': 5}
+AA :
+LLNL : ch3coch2o
+
+{'c': 3, 'o': 2, 'h': 6}
+AA : ac3h5ooh
+LLNL : ac3h5ooh
+
+{'c': 3, 'o': 2, 'h': 7}
+AA : c3h6ooh1-3 c3h6ooh1-2 c3h6ooh2-1 c3h6ooh2-2 nc3h7o2 ic3h7o2
+LLNL : c3h6ooh1-3 c3h6ooh1-2 c3h6ooh2-1 c3h6ooh2-2 nc3h7o2 ic3h7o2
+
+{'c': 3, 'o': 2, 'h': 8}
+AA : nc3h7o2h ic3h7o2h
+LLNL : nc3h7o2h ic3h7o2h
+
+{'c': 3, 'o': 3, 'h': 5}
+AA : ch3coch2o2
+LLNL : ch3coch2o2
+
+{'c': 3, 'o': 3, 'h': 6}
+AA : c3ket12 c3ket13 c3ket21
+LLNL : ch3coch2o2h c3ket12 c3ket13 c3ket21
+
+{'c': 3, 'o': 3, 'h': 7}
+AA : hoc3h6o2
+LLNL : hoc3h6o2
+
+{'c': 3, 'o': 4, 'h': 7}
+AA : c3h6ooh1-2o2 c3h6ooh1-3o2 c3h6ooh2-1o2 c3h51-2,3ooh c3h52-1,3ooh
+LLNL : c3h6ooh1-2o2 c3h6ooh1-3o2 c3h6ooh2-1o2 c3h51-2,3ooh c3h52-1,3ooh
+
+{'c': 4, 'h': 2}
+AA : c4h2
+LLNL : c4h2
+
+{'c': 4, 'h': 3}
+AA : c4h3-i c4h3-n
+LLNL : nc4h3
+
+{'c': 4, 'h': 4}
+AA : c4h4
+LLNL : c4h4
+
+{'c': 4, 'h': 5}
+AA : c4h5-n c4h5-i c4h5-2
+LLNL : c4h5 nc4h5
+
+{'c': 4, 'h': 6}
+AA : c4h6 c4h612 c4h6-2
+LLNL : c4h6 ch2cchch3
+
+{'c': 4, 'h': 7}
+AA : c4h71-1 c4h71-2 c4h71-3 c4h71-4 c4h72-2 ic4h7
+LLNL : c4h71-1 c4h71-2 c4h71-3 c4h71-4 c4h72-2 ic4h7 ic4h7-i1
+
+{'c': 4, 'h': 8}
+AA : c4h8-1 c4h8-2 ic4h8
+LLNL : c4h8-1 c4h8-2 ic4h8
+
+{'c': 4, 'h': 9}
+AA : pc4h9 sc4h9 ic4h9 tc4h9
+LLNL : pc4h9 sc4h9 ic4h9 tc4h9
+
+{'c': 4, 'h': 10}
+AA : c4h10 ic4h10
+LLNL : c4h10 ic4h10
+
+{'c': 4, 'o': 1, 'h': 2}
+AA : h2c4o
+LLNL :
+
+{'c': 4, 'o': 1, 'h': 3}
+AA :
+LLNL : cjxccxcxo
+
+{'c': 4, 'o': 1, 'h': 4}
+AA : c4h4o vk
+LLNL : cxccxcxo
+
+{'c': 4, 'o': 1, 'h': 5}
+AA : sc3h5co ic3h5co ch3chchco ch2chchcho c*ccjc*o
+LLNL : sc3h5co ic3h5co ac3h5co c2h3chcho cxcccjxo cxocxccj
+
+{'c': 4, 'o': 1, 'h': 6}
+AA : c2h3coch3 c2h5chco sc3h5cho ic3h5cho ic3h6co c4h6o25 c2h3choch2 c4h6o23 ch3chchcho
+LLNL : c2h3coch3 c2h5chco sc3h5cho ic3h5cho ic3h6co ac3h5cho
+
+{'c': 4, 'o': 1, 'h': 7}
+AA : c4h7o c2h5coch2 ch2ch2coch3 ch3chcoch3 nc3h7co c3h6cho-1 c3h6cho-2 c3h6cho-3 ic4h7o tc3h6cho ic3h6cho ic3h7co ic4h6oh
+LLNL : c4h7o c2h5coch2 ch2ch2coch3 ch3chcoch3 nc3h7co c3h6cho-1 c3h6cho-2 c3h6cho-3 ic4h7o tc3h6cho ic3h6cho ic3h7co ic4h6oh c4h7o1-4
+
+{'c': 4, 'o': 1, 'h': 8}
+AA : c4h8o1-2 c4h8o1-3 c4h8o1-4 c4h8o2-3 c2h5coch3 nc3h7cho ic4h8o cc4h8o ic3h7cho ic4h7oh
+LLNL : c4h8o1-2 c4h8o1-3 c4h8o1-4 c4h8o2-3 c2h5coch3 nc3h7cho ic4h8o cc4h8o ic3h7cho ic4h7oh
+
+{'c': 4, 'o': 1, 'h': 9}
+AA : pc4h9o sc4h9o pc4h8oh sc4h8oh tc4h9o ic4h9o ic4h8oh
+LLNL : pc4h9o sc4h9o pc4h8oh sc4h8oh tc4h9o ic4h9o ic4h8oh
+
+{'c': 4, 'o': 2, 'h': 3}
+AA :
+LLNL : oxccxccjxo
+
+{'c': 4, 'o': 2, 'h': 4}
+AA :
+LLNL : oxccxccxo
+
+{'c': 4, 'o': 2, 'h': 5}
+AA : oc4h5o
+LLNL : cxocccjxo cxccco2j
+
+{'c': 4, 'o': 2, 'h': 6}
+AA : oc4h6o
+LLNL : cxocccxo
+
+{'c': 4, 'o': 2, 'h': 7}
+AA : tc3h6ocho
+LLNL : tc3h6ocho
+
+{'c': 4, 'o': 2, 'h': 8}
+AA : ic4h7ooh tc3h6ohcho
+LLNL : ic4h7ooh tc3h6ohcho c4h7ooh1-4
+
+{'c': 4, 'o': 2, 'h': 9}
+AA : pc4h9o2 sc4h9o2 c4h8ooh1-1 c4h8ooh1-2 c4h8ooh1-3 c4h8ooh1-4 c4h8ooh2-1 c4h8ooh2-2 c4h8ooh2-3 c4h8ooh2-4 ic4h9o2 tc4h9o2 tc4h8o2h-i ic4h8o2h-i ic4h8o2h-t
+LLNL : pc4h9o2 sc4h9o2 c4h8ooh1-1 c4h8ooh1-2 c4h8ooh1-3 c4h8ooh1-4 c4h8ooh2-1 c4h8ooh2-2 c4h8ooh2-3 c4h8ooh2-4 ic4h9o2 tc4h9o2 tc4h8o2h-i ic4h8o2h-i ic4h8o2h-t
+
+{'c': 4, 'o': 2, 'h': 10}
+AA : pc4h9o2h sc4h9o2h ic4h9o2h tc4h9o2h
+LLNL : pc4h9o2h sc4h9o2h ic4h9o2h tc4h9o2h
+
+{'c': 4, 'o': 3, 'h': 7}
+AA : ch3choococh3 ch2choohcoch3 tc3h6o2cho tc3h6o2hco ic3h5o2hcho
+LLNL : ch3choococh3 ch2choohcoch3 tc3h6o2cho tc3h6o2hco ic3h5o2hcho
+
+{'c': 4, 'o': 3, 'h': 8}
+AA : nc4ket12 nc4ket13 nc4ket14 nc4ket21 nc4ket23 nc4ket24 ic4ketii ic4ketit
+LLNL : nc4ket12 nc4ket13 nc4ket14 nc4ket21 nc4ket23 nc4ket24 ic4ketii ic4ketit
+
+{'c': 4, 'o': 3, 'h': 9}
+AA : c4h8oh-1o2 c4h8oh-2o2 io2c4h8oh
+LLNL : c4h8oh-1o2 c4h8oh-2o2 io2c4h8oh
+
+{'c': 4, 'o': 4, 'h': 8}
+AA :
+LLNL : ic4h6q2-ii
+
+{'c': 4, 'o': 4, 'h': 9}
+AA : c4h8ooh1-2o2 c4h8ooh1-3o2 c4h8ooh1-4o2 c4h8ooh2-1o2 c4h8ooh2-3o2 c4h8ooh2-4o2 tc4h8ooh-io2 ic4h8ooh-io2 ic4h8ooh-to2 tic4h7q2-i iic4h7q2-i iic4h7q2-t
+LLNL : c4h8ooh1-2o2 c4h8ooh1-3o2 c4h8ooh1-4o2 c4h8ooh2-1o2 c4h8ooh2-3o2 c4h8ooh2-4o2 tc4h8ooh-io2 ic4h8ooh-io2 ic4h8ooh-to2 tic4h7q2-i iic4h7q2-i iic4h7q2-t
+
+{'c': 5, 'h': 5}
+AA : c5h5 c#cc*ccj
+LLNL : cy13pd5j cjcxcc#c
+
+{'c': 5, 'h': 6}
+AA : c5h6 c5h6-l
+LLNL : cy13pd
+
+{'c': 5, 'h': 7}
+AA : c*ccjc*c c5h7 c*cc*ccj
+LLNL : ic5h7 cxccxccj cyc5h7u1 cxccjcxc
+
+{'c': 5, 'h': 8}
+AA : c*cc*cc
+LLNL : c5h81-3 c5h81-4 ic5h8 cyc5h8 cxccxcc
+
+{'c': 5, 'h': 9}
+AA :
+LLNL : c5h91-3 c5h91-4 c5h91-5 c5h92-4 c5h92-5 c5h91-1 ac5h9-a1 ac5h9-a2 ac5h9-c ac5h9-d cc5h9-a cc5h9-b c5h91-2 cyc5h9
+
+{'c': 5, 'h': 10}
+AA :
+LLNL : c5h10-1 c5h10-2 ac5h10 bc5h10 cc5h10
+
+{'c': 5, 'h': 11}
+AA :
+LLNL : c5h11-1 c5h11-2 c5h11-3 ac5h11 bc5h11 cc5h11 dc5h11 neoc5h11
+
+{'c': 5, 'h': 12}
+AA :
+LLNL : nc5h12 ic5h12 neoc5h12
+
+{'c': 5, 'o': 1, 'h': 3}
+AA : c5h3o
+LLNL : cpdjone
+
+{'c': 5, 'o': 1, 'h': 4}
+AA : c5h4o
+LLNL : cypdone
+
+{'c': 5, 'o': 1, 'h': 5}
+AA : c5h5o c5h4oh cj*cc*cc*o c*cc*ccj*o
+LLNL : cyc5h5oj cyc5h4oh oxcjcxccxc oxccxccxcj
+
+{'c': 5, 'o': 1, 'h': 6}
+AA : c5h5oh
+LLNL : cyc5h5oh
+
+{'c': 5, 'o': 1, 'h': 7}
+AA : c*ccjc*coh
+LLNL : pc2h4coc2h3 sc2h4coc2h3 c4h7co1-4 c4h6cho1-43 c4h6cho1-44 c4h7co1-1 c4h6cho1-14 c4h6cho1-13 ic3h5coch2 ac3h4coch3 c4h7co2-1 c4h6cho2-11 ic5h7o ic4h7co ac3h4ch2cho ic3h5chcho c4h7co1-2 c4h6cho1-23 c4h6cho1-24 c4h7co2-2 c4h6cho2-21 c4h6cho2-24 ic3h6chco ac3h5chcho
+
+{'c': 5, 'o': 1, 'h': 8}
+AA : c*cc*ccoh
+LLNL : c2h5coc2h3 c4h7cho1-4 c4h7cho1-1 ic3h5coch3 c4h7cho2-1 ic4h7cho c4h7cho1-2 c4h7cho2-2 ic3h6chcho cxccxccoh cy3c5h8o
+
+{'c': 5, 'o': 1, 'h': 9}
+AA : tc4h8cho
+LLNL : tc4h8cho c5h9o1-3 c5h9o2-4 nc4h9co c4h8cho-1 c4h8cho-2 c4h8cho-3 c4h8cho-4 nc3h7coch2 c3h6coch3-1 c3h6coch3-2 c3h6coch3-3 c2h5coc2h4p c2h5coc2h4s c5h9o1-4 c5h9o1-5 ac5h9o-a2 ac5h9o-c cc5h9o-b nc4h9co-2 c4h8cho1-2 c4h8cho2-2 c4h8cho3-2 c4h8cho4-2 ic4h9co ic3h6ch2cho tc3h6ch2cho ic3h7chcho ic3h7coch2 ic3h6coch3 tc3h6coch3 tc4h9co
+
+{'c': 5, 'o': 1, 'h': 10}
+AA :
+LLNL : c5h10o1-2 c5h10o1-3 c5h10o1-4 c5h10o1-5 c5h10o2-3 c5h10o2-4 nc4h9cho nc3h7coch3 c2h5coc2h5 a-ac5h10o a-bc5h10o a-cc5h10o a-dc5h10o b-cc5h10o b-dc5h10o c-dc5h10o nc4h9cho-2 ic4h9cho ic3h7coch3 neo-c5h10o tc4h9cho
+
+{'c': 5, 'o': 1, 'h': 11}
+AA :
+LLNL : c5h11o-1 c5h11o-2 c5h11o-3 c5h10oh-1 c5h10oh-2 ac5h11o bc5h11o cc5h11o dc5h11o ac5h10oh bc5h10oh cc5h10oh neoc5h11o
+
+{'c': 5, 'o': 2, 'h': 5}
+AA :
+LLNL : oxccxccjcxo
+
+{'c': 5, 'o': 2, 'h': 6}
+AA :
+LLNL : cpdooh
+
+{'c': 5, 'o': 2, 'h': 7}
+AA : oc5h7o
+LLNL : cxocccjcxo
+
+{'c': 5, 'o': 2, 'h': 9}
+AA :
+LLNL : neoc5ketox neoc5kejol c5h91o2-3 c5h81ooh3-4 c5h81ooh3-5 c5h81ooh4-3 c5h81ooh4-5 c5h91o2-4 c5h91o2-5 c5h81ooh5-3 c5h81ooh5-4 c5h92o2-1 c5h92o2-4 c5h92o2-5 c5h82ooh4-5 c5h82ooh5-4
+
+{'c': 5, 'o': 2, 'h': 10}
+AA :
+LLNL : c5h9ooh1-4 c5h9ooh1-5
+
+{'c': 5, 'o': 2, 'h': 11}
+AA :
+LLNL : c5h11o2-1 c5h11o2-2 c5h11o2-3 c5h10ooh1-2 c5h10ooh1-3 c5h10ooh1-4 c5h10ooh1-5 c5h10ooh2-1 c5h10ooh2-3 c5h10ooh2-4 c5h10ooh2-5 c5h10ooh3-1 c5h10ooh3-2 ac5h11o2 bc5h11o2 cc5h11o2 dc5h11o2 ac5h10ooh-a ac5h10ooh-b ac5h10ooh-c ac5h10ooh-d bc5h10ooh-a bc5h10ooh-c bc5h10ooh-d cc5h10ooh-a cc5h10ooh-b cc5h10ooh-d dc5h10ooh-a dc5h10ooh-b dc5h10ooh-c neoc5h11o2 neoc5h10ooh
+
+{'c': 5, 'o': 2, 'h': 12}
+AA :
+LLNL : c5h11o2h-1 c5h11o2h-2 c5h11o2h-3 ac5h11o2h bc5h11o2h cc5h11o2h dc5h11o2h neoc5h11o2h
+
+{'c': 5, 'o': 3, 'h': 8}
+AA :
+LLNL : nc5d1ket53 nc5d1ket43 nc5d1ket35 nc5d1ket54 nc5d1ket45 nc5d1ket34 nc5d2ket45 nc5d2ket54
+
+{'c': 5, 'o': 3, 'h': 9}
+AA : o2c4h8cho o2hc4h8co
+LLNL : o2c4h8cho o2hc4h8co
+
+{'c': 5, 'o': 3, 'h': 10}
+AA :
+LLNL : nc5ket12 nc5ket13 nc5ket14 nc5ket15 nc5ket21 nc5ket23 nc5ket24 nc5ket25 nc5ket31 nc5ket32 ic5ketaa ic5ketab ic5ketac ic5ketad ic5ketca ic5ketcb ic5ketcd ic5ketda ic5ketdb ic5ketdc neoc5ket
+
+{'c': 5, 'o': 3, 'h': 11}
+AA :
+LLNL : o2c5h10oh-1 o2c5h10oh-2 ao2c5h10oh bo2c5h10oh co2c5h10oh
+
+{'c': 5, 'o': 4, 'h': 9}
+AA :
+LLNL : c5h81ooh5-4o2 c5h81ooh4-5o2 c5h81ooh3-4o2 c5h81ooh5-3o2 c5h81ooh4-3o2 c5h81ooh3-5o2 c5h82ooh4-5o2 c5h82ooh5-4o2
+
+{'c': 5, 'o': 4, 'h': 11}
+AA :
+LLNL : c5h10ooh1-2o2 c5h10ooh1-3o2 c5h10ooh1-4o2 c5h10ooh1-5o2 c5h10ooh2-1o2 c5h10ooh2-3o2 c5h10ooh2-4o2 c5h10ooh2-5o2 c5h10ooh3-1o2 c5h10ooh3-2o2 ac5h10ooh-ao2 ac5h10ooh-bo2 ac5h10ooh-co2 ac5h10ooh-do2 bc5h10ooh-ao2 bc5h10ooh-co2 bc5h10ooh-do2 cc5h10ooh-ao2 cc5h10ooh-bo2 cc5h10ooh-do2 dc5h10ooh-ao2 dc5h10ooh-bo2 dc5h10ooh-co2 neoc5h10ooh-o2 neoc5h9q2 neoc5h9q2-n
+
+{'c': 6, 'h': 2}
+AA : c6h2
+LLNL :
+
+{'c': 6, 'h': 3}
+AA : c6h3
+LLNL :
+
+{'c': 6, 'h': 4}
+AA : l-c6h4 c-c6h4 o-c6h4
+LLNL : c6h4
+
+{'c': 6, 'h': 5}
+AA : c6h5
+LLNL : c6h5 fulvenyl
+
+{'c': 6, 'h': 6}
+AA : c6h6 fulvene
+LLNL : c6h6 fulvene cxcc(c#c)xc
+
+{'c': 6, 'h': 7}
+AA :
+LLNL : ch2cy24pd cyc6h7 cpdjch3 linc6h7
+
+{'c': 6, 'h': 8}
+AA : c5h5ch3
+LLNL : ch3cy24pd
+
+{'c': 6, 'h': 9}
+AA :
+LLNL : acc6h9-a acc6h9-d
+
+{'c': 6, 'h': 10}
+AA :
+LLNL : c6h101-3 c6h101-4 c6h101-5 c6h102-4 acc6h10
+
+{'c': 6, 'h': 11}
+AA :
+LLNL : c6h111-3 c6h111-4 c6h111-5 c6h111-6 c6h112-4 c6h112-5 c6h112-6 c6h113-1 ac6h11-a2 ac6h11-c ac6h11-d ac6h11-e bc6h11-e cc6h11-a cc6h11-b dc6h11-a dc6h11-b dc6h11-c neoc6h11 cc6h11-d dc6h11-d
+
+{'c': 6, 'h': 12}
+AA :
+LLNL : c6h12-1 c6h12-2 c6h12-3 ac6h12 bc6h12 cc6h12 dc6h12 neoc6h12
+
+{'c': 6, 'h': 13}
+AA :
+LLNL : c6h13-1 c6h13-2 c6h13-3 ac6h13 bc6h13 cc6h13 dc6h13 ec6h13 fc6h13 gc6h13 hc6h13
+
+{'c': 6, 'h': 14}
+AA :
+LLNL : nc6h14 ic6h14 neoc6h14
+
+{'c': 6, 'o': 1, 'h': 5}
+AA : c6h5o c6h4oh
+LLNL : c6h4oh c6h5oj
+
+{'c': 6, 'o': 1, 'h': 6}
+AA : c6h5oh
+LLNL : c6h5oh
+
+{'c': 6, 'o': 1, 'h': 7}
+AA :
+LLNL : occxccxcjc
+
+{'c': 6, 'o': 1, 'h': 9}
+AA :
+LLNL : ac3h4coc2h5 ic3h5coc2h4p ic3h5coc2h4s ic4h7coch2 ic3h5chcoch3 ac3h4ch2coch3 ac3h5chcoch3 ic3h6chcoch2
+
+{'c': 6, 'o': 1, 'h': 10}
+AA :
+LLNL : etes1 mvox vthf edhf c2h3coc3h7 ic3h5coc2h5 ic4h7coch3 ic3h6chcoch3
+
+{'c': 6, 'o': 1, 'h': 11}
+AA :
+LLNL : c6h11o1-3 c6h11o2-4 nc5h11co c5h10cho-1 c5h10cho-2 c5h10cho-3 c5h10cho-4 c5h10cho-5 nc4h9coch2 c4h8coch3-1 c4h8coch3-2 c4h8coch3-3 c4h8coch3-4 c6h11o1-4 c6h11o1-5 c3h6coc2h5-1 c3h6coc2h5-2 c3h6coc2h5-3 nc3h7coc2h4p nc3h7coc2h4s ac6h11o-c cc6h11o-b dc6h11o-c ic5h11co ac5h10cho bc5h10cho cc5h10cho dc5h10cho nc5h11co-2 c5h10cho1-2 c5h10cho2-2 c5h10cho3-2 c5h10cho4-2 c5h10cho5-2 ic4h9coch2 ic3h6ch2coch3 ic3h7chcoch3 tc3h6ch2coch3 ic3h6coc2h5 tc3h6coc2h5 ic3h7coc2h4p ic3h7coc2h4s neoc5h11co tc4h9chcho tc4h8ch2cho ic5h11co-b ic5h10cho-ba ic5h10cho-bc ic5h10cho-bd tc4h9coch2 tc4h8coch3
+
+{'c': 6, 'o': 1, 'h': 12}
+AA :
+LLNL : c6h12o1-2 c6h12o1-3 c6h12o1-4 c6h12o1-5 c6h12o2-3 c6h12o2-4 c6h12o2-5 c6h12o3-4 nc5h11cho nc4h9coch3 nc3h7coc2h5 a-ac6h12o a-bc6h12o a-cc6h12o a-dc6h12o a-ec6h12o b-cc6h12o b-dc6h12o b-ec6h12o c-dc6h12o c-ec6h12o d-ec6h12o ic5h11cho nc5h11cho-2 ic4h9coch3 ic3h7coc2h5 f-fc6h12o f-gc6h12o f-hc6h12o g-hc6h12o neoc5h11cho ic5h11cho-b tc4h9coch3
+
+{'c': 6, 'o': 1, 'h': 13}
+AA :
+LLNL : c6h13o-1 c6h13o-2 c6h13o-3 c6h12oh-1 c6h12oh-2 c6h12oh-3 ac6h13o bc6h13o cc6h13o dc6h13o ec6h13o ac6h12oh bc6h12oh cc6h12oh dc6h12oh fc6h13o gc6h13o hc6h13o neoc6h12oh
+
+{'c': 6, 'o': 2, 'h': 3}
+AA : p-c6h3o2
+LLNL :
+
+{'c': 6, 'o': 2, 'h': 4}
+AA : p-c6h4o2 o-c6h4o2
+LLNL : oc6h4o
+
+{'c': 6, 'o': 2, 'h': 5}
+AA : c6h5oo oc6h4oh p-oc6h5oj o-oc6h5oj
+LLNL : c6h5o2 yoc6jdo rodc6jdo c6jyoo
+
+{'c': 6, 'o': 2, 'h': 6}
+AA : c6h5ooh
+LLNL :
+
+{'c': 6, 'o': 2, 'h': 11}
+AA :
+LLNL : c6h112o2-1 c6h111o2-3 c6h111o2-4 c6h111o2-5 c6h111o2-6 c6h112o2-4 c6h112o2-5 c6h112o2-6 c6h113o2-1 c6h113o2-2 c6h101ooh3-4 c6h101ooh3-5 c6h101ooh3-6 c6h101ooh4-3 c6h101ooh4-5 c6h101ooh4-6 c6h101ooh5-3 c6h101ooh5-4 c6h101ooh5-6 c6h101ooh6-3 c6h101ooh6-4 c6h101ooh6-5 c6h102ooh5-4 c6h103ooh1-2 c6h102ooh4-5 c6h102ooh4-6 c6h102ooh5-6 c6h102ooh6-4 c6h102ooh6-5 c6h103ooh2-1
+
+{'c': 6, 'o': 2, 'h': 12}
+AA :
+LLNL : c6h11ooh1-4 c6h11ooh1-5 c6h111o2h-4 c6h111o2h-5 c6h111o2h-6 c6h112o2h-4 c6h112o2h-5 c6h112o2h-6 c6h113o2h-2 c6h113o2h-1
+
+{'c': 6, 'o': 2, 'h': 13}
+AA :
+LLNL : c6h13o2-1 c6h13o2-2 c6h13o2-3 c6h12ooh1-2 c6h12ooh1-3 c6h12ooh1-4 c6h12ooh1-5 c6h12ooh2-1 c6h12ooh2-3 c6h12ooh2-4 c6h12ooh2-5 c6h12ooh2-6 c6h12ooh3-1 c6h12ooh3-2 c6h12ooh3-4 c6h12ooh3-5 c6h12ooh3-6 ac6h13o2 bc6h13o2 cc6h13o2 dc6h13o2 ec6h13o2 ac6h12ooh-a ac6h12ooh-b ac6h12ooh-c ac6h12ooh-d ac6h12ooh-e bc6h12ooh-a bc6h12ooh-c bc6h12ooh-d bc6h12ooh-e cc6h12ooh-a cc6h12ooh-b cc6h12ooh-d cc6h12ooh-e dc6h12ooh-a dc6h12ooh-b dc6h12ooh-c dc6h12ooh-e ec6h12ooh-a ec6h12ooh-b ec6h12ooh-c ec6h12ooh-d fc6h13o2 gc6h13o2 hc6h13o2 fc6h12ooh-f fc6h12ooh-g fc6h12ooh-h gc6h12ooh-f gc6h12ooh-h hc6h12ooh-f hc6h12ooh-g
+
+{'c': 6, 'o': 2, 'h': 14}
+AA :
+LLNL : c6h13o2h-1 c6h13o2h-2 c6h13o2h-3 ac6h13o2h bc6h13o2h cc6h13o2h dc6h13o2h ec6h13o2h fc6h13o2h gc6h13o2h hc6h13o2h
+
+{'c': 6, 'o': 3, 'h': 10}
+AA :
+LLNL : nc6d1ket34 nc6d1ket35 nc6d1ket36 nc6d1ket43 nc6d1ket45 nc6d1ket46 nc6d1ket53 nc6d1ket54 nc6d1ket56 nc6d1ket63 nc6d1ket64 nc6d1ket65 nc6d2ket45 nc6d2ket46 nc6d2ket54 nc6d2ket56 nc6d2ket64 nc6d2ket65 nc6d3ket21 nc6d3ket12
+
+{'c': 6, 'o': 3, 'h': 12}
+AA :
+LLNL : nc6ket12 nc6ket13 nc6ket14 nc6ket15 nc6ket21 nc6ket23 nc6ket24 nc6ket25 nc6ket26 nc6ket31 nc6ket32 nc6ket34 nc6ket35 nc6ket36 ic6ketaa ic6ketab ic6ketac ic6ketad ic6ketae ic6ketca ic6ketcb ic6ketcd ic6ketce ic6ketda ic6ketdb ic6ketdc ic6ketde ic6ketea ic6keteb ic6ketec ic6keted neoc6ketff neoc6ketfg neoc6ketfh neoc6ketgf neoc6ketgh neoc6kethf neoc6kethg
+
+{'c': 6, 'o': 3, 'h': 13}
+AA :
+LLNL : o2c6h12oh-1 o2c6h12oh-2 o2c6h12oh-3 ao2c6h12oh bo2c6h12oh co2c6h12oh do2c6h12oh neoo2c6h12oh
+
+{'c': 6, 'o': 4, 'h': 11}
+AA :
+LLNL : c6h101ooh3-4o2 c6h101ooh3-5o2 c6h101ooh3-6o2 c6h101ooh4-3o2 c6h101ooh4-5o2 c6h101ooh4-6o2 c6h101ooh5-3o2 c6h101ooh5-4o2 c6h101ooh5-6o2 c6h101ooh6-3o2 c6h101ooh6-4o2 c6h101ooh6-5o2 c6h102ooh4-5o2 c6h102ooh4-6o2 c6h102ooh5-4o2 c6h102ooh5-6o2 c6h102ooh6-4o2 c6h102ooh6-5o2 c6h103ooh2-1o2 c6h103ooh1-2o2
+
+{'c': 6, 'o': 4, 'h': 13}
+AA :
+LLNL : c6h12ooh1-2o2 c6h12ooh1-3o2 c6h12ooh1-4o2 c6h12ooh1-5o2 c6h12ooh2-1o2 c6h12ooh2-3o2 c6h12ooh2-4o2 c6h12ooh2-5o2 c6h12ooh2-6o2 c6h12ooh3-1o2 c6h12ooh3-2o2 c6h12ooh3-4o2 c6h12ooh3-5o2 c6h12ooh3-6o2 ac6h12ooh-ao2 ac6h12ooh-bo2 ac6h12ooh-co2 ac6h12ooh-do2 ac6h12ooh-eo2 bc6h12ooh-ao2 bc6h12ooh-co2 bc6h12ooh-do2 bc6h12ooh-eo2 cc6h12ooh-ao2 cc6h12ooh-bo2 cc6h12ooh-do2 cc6h12ooh-eo2 dc6h12ooh-ao2 dc6h12ooh-bo2 dc6h12ooh-co2 dc6h12ooh-eo2 ec6h12ooh-ao2 ec6h12ooh-bo2 ec6h12ooh-co2 ec6h12ooh-do2 fc6h12ooh-fo2 fc6h12ooh-go2 fc6h12ooh-ho2 gc6h12ooh-fo2 gc6h12ooh-ho2 hc6h12ooh-fo2 hc6h12ooh-go2
+
+{'c': 7, 'h': 6}
+AA :
+LLNL : c7h6
+
+{'c': 7, 'h': 7}
+AA : c6h5ch2 c6h4ch3
+LLNL : c6h5ch2j c6h4ch3
+
+{'c': 7, 'h': 8}
+AA : c6h5ch3
+LLNL : c6h5ch3 cpdcxc
+
+{'c': 7, 'h': 13}
+AA :
+LLNL : c7h131-3 c7h131-4 c7h131-5 c7h131-6 c7h131-7 c7h132-4 c7h132-5 c7h132-6 c7h132-7 c7h133-1 c7h133-5 c7h133-6 c7h133-7 xc7h13-x1 xc7h13-z xc7h13-x2 xc7h13-y2 yc7h13-y2 yc7h13-x2 oc7h13-n pc7h13-n pc7h13-o
+
+{'c': 7, 'h': 14}
+AA :
+LLNL : c7h14-1 c7h14-2 c7h14-3 xc7h14 yc7h14 oc7h14 pc7h14
+
+{'c': 7, 'h': 15}
+AA :
+LLNL : c7h15-1 c7h15-2 c7h15-3 c7h15-4 xc7h15 yc7h15 zc7h15 nc7h15 oc7h15 pc7h15 qc7h15
+
+{'c': 7, 'h': 16}
+AA :
+LLNL : nc7h16 c7h16-24 neoc7h16
+
+{'c': 7, 'o': 1, 'h': 5}
+AA : c6h5co
+LLNL : c6h5cjo
+
+{'c': 7, 'o': 1, 'h': 6}
+AA : c6h5cho
+LLNL : c6h5cho oc6h4ch2
+
+{'c': 7, 'o': 1, 'h': 7}
+AA : c6h5ch2o oc6h4ch3 hoc6h4ch2 c6h5choh
+LLNL : c6h5ch2oj c6h5choh oc6h4ch3 hoc6h4ch2
+
+{'c': 7, 'o': 1, 'h': 8}
+AA : c6h5ch2oh hoc6h4ch3
+LLNL : c6h5ch2oh hoc6h4ch3
+
+{'c': 7, 'o': 1, 'h': 13}
+AA :
+LLNL : c7h13o1-3 c7h13o2-4 c7h13o3-5 xc7h13o-z yc7h13o-y2 pc7h13o-o ic6h13co-b ac6h12cho-b cc6h12cho-b dc6h12cho-b ec6h12cho-b ic6h13co-d ac6h12cho-d bc6h12cho-d cc6h12cho-d dc6h12cho-d ec6h12cho-d ic3h7coc3h6-i ic3h7coc3h6-t tc4h8coc2h5 tc4h9coc2h4s tc4h9coc2h4p neoc5h10coch3 tc4h9chcoch3 neoc5h11coch2 neoc6h13co fc6h12cho gc6h12cho hc6h12cho xc7h13o-x1 yc7h13o-x1 oc7h13o-n oc7h13o-q xc7h13o-y2 yc7h13o-x2
+
+{'c': 7, 'o': 1, 'h': 14}
+AA :
+LLNL : c7h14o1-2 c7h14o1-3 c7h14o1-4 c7h14o1-5 c7h14o2-3 c7h14o2-4 c7h14o2-5 c7h14o2-6 c7h14o3-4 c7h14o3-5 x-x1c7h14o x-x2c7h14o x-y1c7h14o x-y2c7h14o x-zc7h14o y-yc7h14o y-zc7h14o n-nc7h14o n-oc7h14o n-pc7h14o n-qc7h14o o-pc7h14o o-qc7h14o p-qc7h14o ic6h13cho-b ic6h13cho-d ic3h7coc3h7-i tc4h9coc2h5 neoc5h11coch3 neoc6h13cho
+
+{'c': 7, 'o': 1, 'h': 15}
+AA :
+LLNL : c7h15o-1 c7h15o-2 c7h15o-3 c7h15o-4 c7h14oh-1 c7h14oh-2 c7h14oh-3 xc7h15o yc7h15o zc7h15o xc7h14oh yc7h14oh nc7h15o oc7h15o pc7h15o qc7h15o oc7h14oh pc7h14oh
+
+{'c': 7, 'o': 2, 'h': 5}
+AA : hoc6h4co
+LLNL : hoc6h4co
+
+{'c': 7, 'o': 2, 'h': 6}
+AA : hoc6h4cho
+LLNL : hoc6h4cho
+
+{'c': 7, 'o': 2, 'h': 7}
+AA : c6h5ch2oo hoc6h4ch2o
+LLNL : c6h5ch2ooj hoc6h4ch2o o2c6h4ch3 rodc6j(c)do
+
+{'c': 7, 'o': 2, 'h': 8}
+AA : bzcooh
+LLNL : c6h5ch2ooh
+
+{'c': 7, 'o': 2, 'h': 14}
+AA :
+LLNL : xc7h13ooh-x1 yc7h13ooh-x1 oc7h13ooh-n xc7h13ooh-z pc7h13ooh-o oc7h13ooh-q xc7h13ooh-y2 yc7h13ooh-x2
+
+{'c': 7, 'o': 2, 'h': 15}
+AA :
+LLNL : c7h15o2-1 c7h15o2-2 c7h15o2-3 c7h15o2-4 c7h14ooh1-2 c7h14ooh1-3 c7h14ooh1-4 c7h14ooh1-5 c7h14ooh2-1 c7h14ooh2-3 c7h14ooh2-4 c7h14ooh2-5 c7h14ooh2-6 c7h14ooh3-1 c7h14ooh3-2 c7h14ooh3-4 c7h14ooh3-5 c7h14ooh3-6 c7h14ooh3-7 c7h14ooh4-1 c7h14ooh4-2 c7h14ooh4-3 xc7h15o2 yc7h15o2 zc7h15o2 xc7h14ooh-x1 xc7h14ooh-y1 xc7h14ooh-z xc7h14ooh-y2 xc7h14ooh-x2 yc7h14ooh-x1 yc7h14ooh-z yc7h14ooh-y2 yc7h14ooh-x2 zc7h14ooh-x zc7h14ooh-y nc7h15o2 oc7h15o2 pc7h15o2 qc7h15o2 nc7h14ooh-n2 nc7h14ooh-q qc7h14ooh-n nc7h14ooh-o nc7h14ooh-p qc7h14ooh-o qc7h14ooh-p oc7h14ooh-n oc7h14ooh-q pc7h14ooh-n pc7h14ooh-q oc7h14ooh-p pc7h14ooh-o
+
+{'c': 7, 'o': 2, 'h': 16}
+AA :
+LLNL : c7h15o2h-1 c7h15o2h-2 c7h15o2h-3 c7h15o2h-4 xc7h15o2h yc7h15o2h zc7h15o2h nc7h15o2h oc7h15o2h pc7h15o2h qc7h15o2h
+
+{'c': 7, 'o': 3, 'h': 7}
+AA : hoc6h4ch2oo
+LLNL : hoc6h4ch2oo
+
+{'c': 7, 'o': 3, 'h': 8}
+AA : hoc6h4ch2ooh
+LLNL : hoc6h4ch2ooh
+
+{'c': 7, 'o': 3, 'h': 14}
+AA :
+LLNL : nc7ket12 nc7ket13 nc7ket14 nc7ket15 nc7ket21 nc7ket23 nc7ket24 nc7ket25 nc7ket26 nc7ket31 nc7ket32 nc7ket34 nc7ket35 nc7ket36 nc7ket37 nc7ket41 nc7ket42 nc7ket43 c7ket24xx1 c7ket24xy1 c7ket24xz c7ket24xy2 c7ket24xx2 c7ket24zx c7ket24zy neoc7ketnn neoc7ketno neoc7ketnp neoc7ketnq neoc7keton neoc7ketop neoc7ketoq neoc7ketpn neoc7ketpo neoc7ketpq neoc7ketqn neoc7ketqo neoc7ketqp
+
+{'c': 7, 'o': 3, 'h': 15}
+AA :
+LLNL : o2c7h14oh-1 o2c7h14oh-2 o2c7h14oh-3 xo2c7h14oh yo2c7h14oh oo2c7h14oh po2c7h14oh
+
+{'c': 7, 'o': 4, 'h': 15}
+AA :
+LLNL : c7h14ooh1-2o2 c7h14ooh1-3o2 c7h14ooh1-4o2 c7h14ooh1-5o2 c7h14ooh2-1o2 c7h14ooh2-3o2 c7h14ooh2-4o2 c7h14ooh2-5o2 c7h14ooh2-6o2 c7h14ooh3-1o2 c7h14ooh3-2o2 c7h14ooh3-4o2 c7h14ooh3-5o2 c7h14ooh3-6o2 c7h14ooh3-7o2 c7h14ooh4-1o2 c7h14ooh4-2o2 c7h14ooh4-3o2 xc7h14ooh-x1o2 xc7h14ooh-x2o2 xc7h14ooh-y1o2 xc7h14ooh-y2o2 xc7h14ooh-zo2 yc7h14ooh-x1o2 yc7h14ooh-x2o2 yc7h14ooh-y2o2 yc7h14ooh-zo2 zc7h14ooh-xo2 zc7h14ooh-yo2 nc7h14ooh-n2o2 nc7h14ooh-qo2 qc7h14ooh-no2 nc7h14ooh-oo2 nc7h14ooh-po2 qc7h14ooh-oo2 qc7h14ooh-po2 oc7h14ooh-no2 oc7h14ooh-qo2 pc7h14ooh-no2 pc7h14ooh-qo2 oc7h14ooh-po2 pc7h14ooh-oo2
+
+{'c': 8, 'h': 5}
+AA : c6h4c2h
+LLNL :
+
+{'c': 8, 'h': 6}
+AA : c6h5c2h
+LLNL : c6h5c2h
+
+{'c': 8, 'h': 7}
+AA : c6h5cch2 c6h5chch c6h4c2h3
+LLNL : c6h5c2h2
+
+{'c': 8, 'h': 8}
+AA : c6h5c2h3
+LLNL : styr
+
+{'c': 8, 'h': 9}
+AA : c6h5chch3 c6h5ch2ch2
+LLNL : c6h5c2h4p c6h5c2h4s
+
+{'c': 8, 'h': 10}
+AA : c6h5c2h5
+LLNL : xylene c6h5c2h5
+
+{'c': 8, 'h': 15}
+AA :
+LLNL : ic8h15
+
+{'c': 8, 'h': 16}
+AA :
+LLNL : ic8h16 jc8h16
+
+{'c': 8, 'h': 17}
+AA :
+LLNL : ac8h17 bc8h17 cc8h17 dc8h17
+
+{'c': 8, 'h': 18}
+AA :
+LLNL : ic8h18
+
+{'c': 8, 'o': 1, 'h': 5}
+AA : c6h5cco
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 6}
+AA : c6h5chco
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 7}
+AA : c6h5ch2co c6h5coch2
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 8}
+AA : c6h5ch2hco
+LLNL :
+
+{'c': 8, 'o': 1, 'h': 16}
+AA :
+LLNL : ic8eteraa ic8eterab ic8eterac ic8eterad ic8eterbc ic8eterbd ic8etercd ic8eterdd
+
+{'c': 8, 'o': 1, 'h': 17}
+AA :
+LLNL : ac8h17o bc8h17o cc8h17o dc8h17o cc8h16oh-b bc8h16oh-c cc8h16oh-d dc8h16oh-c
+
+{'c': 8, 'o': 2, 'h': 9}
+AA : c6h5ch2ch2oo c6h5chooch3
+LLNL :
+
+{'c': 8, 'o': 2, 'h': 17}
+AA :
+LLNL : ac8h17o2 bc8h17o2 cc8h17o2 dc8h17o2 ac8h16ooh-a ac8h16ooh-b ac8h16ooh-c ac8h16ooh-d bc8h16ooh-c bc8h16ooh-a bc8h16ooh-d cc8h16ooh-d cc8h16ooh-b cc8h16ooh-a dc8h16ooh-c dc8h16ooh-d dc8h16ooh-b dc8h16ooh-a
+
+{'c': 8, 'o': 2, 'h': 18}
+AA :
+LLNL : ac8h17o2h bc8h17o2h cc8h17o2h dc8h17o2h
+
+{'c': 8, 'o': 3, 'h': 16}
+AA :
+LLNL : ic8ketaa ic8ketab ic8ketac ic8ketad ic8ketba ic8ketbc ic8ketbd ic8ketda ic8ketdb ic8ketdc ic8ketdd
+
+{'c': 8, 'o': 3, 'h': 17}
+AA :
+LLNL : cc8h16oh-bo2 cc8h16o-bo2h bc8h16oh-co2 bc8h16o-co2h cc8h16oh-do2 cc8h16o-do2h dc8h16oh-co2 dc8h16o-co2h
+
+{'c': 8, 'o': 4, 'h': 17}
+AA :
+LLNL : ac8h16ooh-ao2 ac8h16ooh-bo2 ac8h16ooh-co2 ac8h16ooh-do2 bc8h16ooh-co2 bc8h16ooh-ao2 bc8h16ooh-do2 cc8h16ooh-do2 cc8h16ooh-bo2 cc8h16ooh-ao2 dc8h16ooh-co2 dc8h16ooh-do2 dc8h16ooh-bo2 dc8h16ooh-ao2
+
+{'c': 9, 'h': 7}
+AA : c9h7 indenyl
+LLNL :
+
+{'c': 9, 'h': 8}
+AA : ind
+LLNL : ind
+
+{'c': 9, 'h': 9}
+AA : c6h5c3h4
+LLNL :
+
+{'c': 9, 'h': 10}
+AA : c6h5c3h5-1 c6h5c3h5-2 ch3c6h4c2h3
+LLNL : cr3 cr4
+
+{'c': 9, 'h': 11}
+AA : pbzja pbzjb pbzjc
+LLNL :
+
+{'c': 9, 'h': 12}
+AA : pbz
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 6}
+AA : c9h6o
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 7}
+AA : indenoxy
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 8}
+AA : c6h5ch2chco c6h5c2h2hco c6h5coc2h3
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 9}
+AA : c6h5c2h4co c6h5ch2coch2 c6h5coc2h4 coc6h5c3h4-1 aoc6h5c3h4-2
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 10}
+AA : cyclo4 cyc3ab cyc3cb pbo c6h5c2h4hco
+LLNL :
+
+{'c': 9, 'o': 1, 'h': 11}
+AA : pboj bc6h5c3h5oha ac6h5c3h5ohb cc6h5c3h5ohb bc6h5c3h5ohc
+LLNL :
+
+{'c': 9, 'o': 2, 'h': 9}
+AA : c6h5coch2ch2o c6h5ch2coch2o
+LLNL :
+
+{'c': 9, 'o': 2, 'h': 10}
+AA : pbenooh
+LLNL :
+
+{'c': 9, 'o': 2, 'h': 11}
+AA : pbzcoo pboohc-b pboohc-a pbzboo pboohb-c pboohb-a pbzaoo pbooha-c pbooha-b
+LLNL :
+
+{'c': 9, 'o': 3, 'h': 9}
+AA : c6h5coch2ch2o2 c6h5ch2coch2o2
+LLNL :
+
+{'c': 9, 'o': 3, 'h': 10}
+AA : pbketba pbketbc pbketab pbketac pbketcb pbketca c6h5coch2ch2o2h c6h5ch2coch2o2h
+LLNL :
+
+{'c': 9, 'o': 3, 'h': 11}
+AA : pbzohaqjb pbzohbqja pbzohbqjc pbzohcqjb
+LLNL :
+
+{'c': 9, 'o': 4, 'h': 11}
+AA : pboohbooa pboohaoob pboohcoob pboohbooc pboohcooa pboohaooc
+LLNL :
+
+{'c': 10, 'h': 7}
+AA : naph* naph- a1c2hac a2-x
+LLNL :
+
+{'c': 10, 'h': 8}
+AA : naph
+LLNL : naph
+
+{'c': 10, 'h': 9}
+AA : c10h9 a1c2h3ac
+LLNL : bicpdj c10h9
+
+{'c': 10, 'h': 10}
+AA : c10h10 c6h5c4h5
+LLNL : bicpd c10h10
+
+{'c': 10, 'h': 11}
+AA : bc6h5c4h6-3 cc6h5c4h6-1 dc6h5c4h6-1
+LLNL :
+
+{'c': 10, 'h': 12}
+AA : c6h5c4h7-3 c6h5c4h7-2 c6h5c4h7-1
+LLNL : dicypd cr5
+
+{'c': 10, 'h': 13}
+AA : ac6h5c4h8 bc6h5c4h8 cc6h5c4h8 dc6h5c4h8
+LLNL :
+
+{'c': 10, 'h': 14}
+AA : c6h5c4h9
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 7}
+AA : napho a2o
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 11}
+AA : bbze3ojb bbze1ojc bbze1ojd
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 12}
+AA : c6h5c4h7o-ab c6h5c4h7o-ac c6h5c4h7o-ad c6h5c4h7o-bc c6h5c4h7o-bd c6h5c4h7o-cd
+LLNL :
+
+{'c': 10, 'o': 1, 'h': 13}
+AA : c6h5c4h8oja c6h5c4h8ojb c6h5c4h8ojc c6h5c4h8ojd bbzohdrc bbzohcrd bbzohcrb bbzohbrc bbzoharb bbzohbra
+LLNL :
+
+{'c': 10, 'o': 2, 'h': 13}
+AA : c6h5c4h8qjd bbzqdrc bbzqdrb bbzqdra bbzqcrd bbzqcrb bbzqcra bbzqbrd bbzqbrc bbzqbra bbzqard bbzqarc bbzqarb c6h5c4h8qja c6h5c4h8qjc c6h5c4h8qjb
+LLNL :
+
+{'c': 10, 'o': 2, 'h': 14}
+AA : bbzqa bbzqb bbzqc bbzqd
+LLNL :
+
+{'c': 10, 'o': 3, 'h': 12}
+AA : bbzocqd bbzobqd bbzoaqd bbzodqc bbzobqc bbzoaqc bbzodqb bbzocqb bbzoaqb bbzodqa bbzocqa bbzobqa
+LLNL :
+
+{'c': 10, 'o': 3, 'h': 13}
+AA : bbzohdqjc bbzohcqjd bbzohcqjb bbzohbqjc bbzohaqjb bbzohbqja
+LLNL :
+
+{'c': 10, 'o': 4, 'h': 13}
+AA : bbzqdqjc bbzqdqjb bbzqcqjd bbzqbqjd bbzqdqja bbzqaqjd bbzqaqjb bbzqbqja bbzqaqjc bbzqcqja bbzqcqjb bbzqbqjc
+LLNL :
+
+{'c': 11, 'h': 13}
+AA :
+LLNL : cr2
+
+{'c': 11, 'h': 14}
+AA :
+LLNL : cr1
+
+{'c': 12, 'h': 10}
+AA :
+LLNL : c12h10
+
+{'c': 13, 'h': 10}
+AA : fluorene
+LLNL :
+
+{'c': 14, 'h': 10}
+AA : c14h10 phnthrn
+LLNL : phena
+
+{'c': 14, 'h': 11}
+AA : c14h11
+LLNL : phcchph
+
+{'c': 14, 'h': 12}
+AA : c14h12
+LLNL : stylben
+
+{'c': 14, 'h': 13}
+AA : c14h13
+LLNL : c14h13
+
+{'c': 14, 'h': 14}
+AA : c14h14
+LLNL : c14h14
+
+{'c': 14, 'o': 1, 'h': 13}
+AA : c14h13o
+LLNL :
+
+{'c': 14, 'o': 2, 'h': 13}
+AA : c14h13oo c14h12ooh
+LLNL : c14h13oo
+
+{'c': 14, 'o': 2, 'h': 14}
+AA : c14h13ooh
+LLNL :
+
+{'c': 14, 'o': 3, 'h': 12}
+AA : c14h11o-1o2h
+LLNL :
+
+{'c': 14, 'o': 4, 'h': 13}
+AA : c14h12o2h-1o2
+LLNL :
+
+{'c': 16, 'h': 10}
+AA : c16h10
+LLNL :
+
+{'c': 20, 'h': 16}
+AA : bin1a
+LLNL :
+
diff --git a/Exemple/Results full merging/new_model_TIRAMISU_kt.mech b/Exemple/Results full merging/new_model_TIRAMISU_kt.mech
new file mode 100644
index 0000000000000000000000000000000000000000..c71291fa9cfd0c83d921a99ea03d24eafda5aafb
--- /dev/null
+++ b/Exemple/Results full merging/new_model_TIRAMISU_kt.mech
@@ -0,0 +1,13711 @@
+!
+! n=10000 kinetics and thermodynamics retained from LLNL
+! 03/05/2024
+ELEMENTS
+HE
+O
+C
+NE
+H
+AR
+N
+END
+SPECIES
+H ! *:_:* LLNL *:_:*
+H2 ! *:_:* LLNL *:_:*
+O ! *:_:* LLNL *:_:*
+O2 ! *:_:* LLNL *:_:*
+OH ! *:_:* LLNL *:_:*
+H2O ! *:_:* LLNL *:_:*
+HO2 ! *:_:* LLNL *:_:*
+H2O2 ! *:_:* LLNL *:_:*
+AR ! *:_:* LLNL *:_:*
+CO ! *:_:* LLNL *:_:*
+CO2 ! *:_:* LLNL *:_:*
+CH2O ! *:_:* LLNL *:_:*
+HCO ! *:_:* LLNL *:_:*
+HO2CHO ! *:_:* LLNL *:_:*
+O2CHO ! *:_:* LLNL *:_:*
+HOCHO ! *:_:* LLNL *:_:*
+OCHO ! *:_:* LLNL *:_:*
+HOCH2O2H ! *:_:* LLNL *:_:*
+HOCH2O2 ! *:_:* LLNL *:_:*
+OCH2O2H ! *:_:* LLNL *:_:*
+HOCH2O ! *:_:* LLNL *:_:*
+CH3OH ! *:_:* LLNL *:_:*
+CH2OH ! *:_:* LLNL *:_:*
+CH3O ! *:_:* LLNL *:_:*
+CH3O2H ! *:_:* LLNL *:_:*
+CH3O2 ! *:_:* LLNL *:_:*
+CH4 ! *:_:* LLNL *:_:*
+CH3 ! *:_:* LLNL *:_:*
+CH2 ! *:_:* LLNL *:_:*
+CH2(S) ! *:_:* LLNL *:_:*
+C ! *:_:* LLNL *:_:*
+CH ! *:_:* LLNL *:_:*
+C2H6 ! *:_:* LLNL *:_:*
+C2H5 ! *:_:* LLNL *:_:*
+C2H4 ! *:_:* LLNL *:_:*
+C2H3 ! *:_:* LLNL *:_:*
+C2H2 ! *:_:* LLNL *:_:*
+C2H ! *:_:* LLNL *:_:*
+CH3CHO ! *:_:* LLNL *:_:*
+CH3CO ! *:_:* LLNL *:_:*
+CH2CHO ! *:_:* LLNL *:_:*
+CH2CO ! *:_:* LLNL *:_:*
+HCCO ! *:_:* LLNL *:_:*
+HCCOH ! *:_:* LLNL *:_:*
+CH3CO3H ! *:_:* LLNL *:_:*
+CH3CO3 ! *:_:* LLNL *:_:*
+CH3CO2 ! *:_:* LLNL *:_:*
+C2H5OH ! *:_:* LLNL *:_:*
+C2H5O ! *:_:* LLNL *:_:*
+PC2H4OH ! *:_:* LLNL *:_:*
+SC2H4OH ! *:_:* LLNL *:_:*
+O2C2H4OH ! *:_:* LLNL *:_:*
+C2H5O2H ! *:_:* LLNL *:_:*
+C2H5O2 ! *:_:* LLNL *:_:*
+C2H4O2H ! *:_:* LLNL *:_:*
+C2H4O1-2 ! *:_:* LLNL *:_:*
+C2H3O1-2 ! *:_:* LLNL *:_:*
+CH3COCH3 ! *:_:* LLNL *:_:*
+CH3COCH2 ! *:_:* LLNL *:_:*
+CH3COCH2O2 ! *:_:* LLNL *:_:*
+CH3COCH2O2H ! *:_:* LLNL *:_:*
+CH3COCH2O ! *:_:* LLNL *:_:*
+C2H3CHO ! *:_:* LLNL *:_:*
+C2H3CO ! *:_:* LLNL *:_:*
+C2H5CHO ! *:_:* LLNL *:_:*
+C2H5CO ! *:_:* LLNL *:_:*
+CH3OCH3 ! *:_:* LLNL *:_:*
+CH3OCH2 ! *:_:* LLNL *:_:*
+CH3OCH2O2 ! *:_:* LLNL *:_:*
+CH2OCH2O2H ! *:_:* LLNL *:_:*
+CH3OCH2O2H ! *:_:* LLNL *:_:*
+CH3OCH2O ! *:_:* LLNL *:_:*
+O2CH2OCH2O2H ! *:_:* LLNL *:_:*
+HO2CH2OCHO ! *:_:* LLNL *:_:*
+OCH2OCHO ! *:_:* LLNL *:_:*
+HOCH2OCO ! *:_:* LLNL *:_:*
+CH3OCHO ! *:_:* LLNL *:_:*
+CH3OCO ! *:_:* LLNL *:_:*
+CH2OCHO ! *:_:* LLNL *:_:*
+HE ! *:_:* LLNL *:_:*
+C3H8 ! *:_:* LLNL *:_:*
+IC3H7 ! *:_:* LLNL *:_:*
+NC3H7 ! *:_:* LLNL *:_:*
+C3H6 ! *:_:* LLNL *:_:*
+C3H5-A ! *:_:* LLNL *:_:*
+C3H5-S ! *:_:* LLNL *:_:*
+C3H5-T ! *:_:* LLNL *:_:*
+C3H4-P ! *:_:* LLNL *:_:*
+C3H4-A ! *:_:* LLNL *:_:*
+C3H3 ! *:_:* LLNL *:_:*
+C3H2 ! *:_:* LLNL *:_:*
+C3H5O ! *:_:* LLNL *:_:*
+C3H6OOH1-2 ! *:_:* LLNL *:_:*
+C3H6OOH1-3 ! *:_:* LLNL *:_:*
+C3H6OOH2-1 ! *:_:* LLNL *:_:*
+C3H6OOH1-2O2 ! *:_:* LLNL *:_:*
+C3H6OOH1-3O2 ! *:_:* LLNL *:_:*
+C3H6OOH2-1O2 ! *:_:* LLNL *:_:*
+C3H6OOH2-2 ! *:_:* LLNL *:_:*
+NC3H7O2H ! *:_:* LLNL *:_:*
+IC3H7O2H ! *:_:* LLNL *:_:*
+NC3H7O2 ! *:_:* LLNL *:_:*
+IC3H7O2 ! *:_:* LLNL *:_:*
+NC3H7O ! *:_:* LLNL *:_:*
+IC3H7O ! *:_:* LLNL *:_:*
+C3H6O1-2 ! *:_:* LLNL *:_:*
+C3H6O1-3 ! *:_:* LLNL *:_:*
+C3KET12 ! *:_:* LLNL *:_:*
+C3KET13 ! *:_:* LLNL *:_:*
+C3KET21 ! *:_:* LLNL *:_:*
+C3H51-2,3OOH ! *:_:* LLNL *:_:*
+C3H52-1,3OOH ! *:_:* LLNL *:_:*
+C3H6OH ! *:_:* LLNL *:_:*
+HOC3H6O2 ! *:_:* LLNL *:_:*
+CH3CHCO ! *:_:* LLNL *:_:*
+AC3H5OOH ! *:_:* LLNL *:_:*
+C2H3OOH ! *:_:* LLNL *:_:*
+C4H10 ! *:_:* LLNL *:_:*
+C4H8-1 ! *:_:* LLNL *:_:*
+C4H8-2 ! *:_:* LLNL *:_:*
+PC4H9 ! *:_:* LLNL *:_:*
+SC4H9 ! *:_:* LLNL *:_:*
+C4H71-1 ! *:_:* LLNL *:_:*
+C4H71-2 ! *:_:* LLNL *:_:*
+C4H71-3 ! *:_:* LLNL *:_:*
+C4H71-4 ! *:_:* LLNL *:_:*
+C4H72-2 ! *:_:* LLNL *:_:*
+C4H6 ! *:_:* LLNL *:_:*
+PC4H9O2H ! *:_:* LLNL *:_:*
+SC4H9O2H ! *:_:* LLNL *:_:*
+PC4H9O2 ! *:_:* LLNL *:_:*
+SC4H9O2 ! *:_:* LLNL *:_:*
+PC4H9O ! *:_:* LLNL *:_:*
+SC4H9O ! *:_:* LLNL *:_:*
+C4H7O ! *:_:* LLNL *:_:*
+C4H8O1-2 ! *:_:* LLNL *:_:*
+C4H8O1-3 ! *:_:* LLNL *:_:*
+C4H8O1-4 ! *:_:* LLNL *:_:*
+C4H8O2-3 ! *:_:* LLNL *:_:*
+PC4H8OH ! *:_:* LLNL *:_:*
+SC4H8OH ! *:_:* LLNL *:_:*
+C4H8OH-1O2 ! *:_:* LLNL *:_:*
+C4H8OH-2O2 ! *:_:* LLNL *:_:*
+C4H8OOH1-1 ! *:_:* LLNL *:_:*
+C4H8OOH1-2 ! *:_:* LLNL *:_:*
+C4H8OOH1-3 ! *:_:* LLNL *:_:*
+C4H8OOH1-4 ! *:_:* LLNL *:_:*
+C4H8OOH2-1 ! *:_:* LLNL *:_:*
+C4H8OOH2-2 ! *:_:* LLNL *:_:*
+C4H8OOH2-3 ! *:_:* LLNL *:_:*
+C4H8OOH2-4 ! *:_:* LLNL *:_:*
+C4H8OOH1-2O2 ! *:_:* LLNL *:_:*
+C4H8OOH1-3O2 ! *:_:* LLNL *:_:*
+C4H8OOH1-4O2 ! *:_:* LLNL *:_:*
+C4H8OOH2-1O2 ! *:_:* LLNL *:_:*
+C4H8OOH2-3O2 ! *:_:* LLNL *:_:*
+C4H8OOH2-4O2 ! *:_:* LLNL *:_:*
+NC4KET12 ! *:_:* LLNL *:_:*
+NC4KET13 ! *:_:* LLNL *:_:*
+NC4KET14 ! *:_:* LLNL *:_:*
+NC4KET21 ! *:_:* LLNL *:_:*
+NC4KET23 ! *:_:* LLNL *:_:*
+NC4KET24 ! *:_:* LLNL *:_:*
+C2H5COCH3 ! *:_:* LLNL *:_:*
+C2H5COCH2 ! *:_:* LLNL *:_:*
+CH2CH2COCH3 ! *:_:* LLNL *:_:*
+CH3CHCOCH3 ! *:_:* LLNL *:_:*
+C2H3COCH3 ! *:_:* LLNL *:_:*
+CH3CHOOCOCH3 ! *:_:* LLNL *:_:*
+CH2CHOOHCOCH3 ! *:_:* LLNL *:_:*
+NC3H7CHO ! *:_:* LLNL *:_:*
+NC3H7CO ! *:_:* LLNL *:_:*
+C3H6CHO-1 ! *:_:* LLNL *:_:*
+C3H6CHO-2 ! *:_:* LLNL *:_:*
+C3H6CHO-3 ! *:_:* LLNL *:_:*
+C2H5CHCO ! *:_:* LLNL *:_:*
+SC3H5CHO ! *:_:* LLNL *:_:*
+SC3H5CO ! *:_:* LLNL *:_:*
+CH2CH2CHO ! *:_:* LLNL *:_:*
+IC4H10 ! *:_:* LLNL *:_:*
+IC4H9 ! *:_:* LLNL *:_:*
+TC4H9 ! *:_:* LLNL *:_:*
+IC4H8 ! *:_:* LLNL *:_:*
+IC4H7 ! *:_:* LLNL *:_:*
+TC4H9O2 ! *:_:* LLNL *:_:*
+IC4H9O2 ! *:_:* LLNL *:_:*
+TC4H8O2H-I ! *:_:* LLNL *:_:*
+IC4H8O2H-I ! *:_:* LLNL *:_:*
+IC4H8O2H-T ! *:_:* LLNL *:_:*
+IC4H8O ! *:_:* LLNL *:_:*
+CC4H8O ! *:_:* LLNL *:_:*
+IC4H9O ! *:_:* LLNL *:_:*
+TC4H9O ! *:_:* LLNL *:_:*
+IC4H9O2H ! *:_:* LLNL *:_:*
+TC4H9O2H ! *:_:* LLNL *:_:*
+IC4H7O ! *:_:* LLNL *:_:*
+IC4H8OH ! *:_:* LLNL *:_:*
+IO2C4H8OH ! *:_:* LLNL *:_:*
+IC3H7CHO ! *:_:* LLNL *:_:*
+TC3H6CHO ! *:_:* LLNL *:_:*
+IC3H7CO ! *:_:* LLNL *:_:*
+IC3H6CHO ! *:_:* LLNL *:_:*
+TC4H8OOH-IO2 ! *:_:* LLNL *:_:*
+IC4H8OOH-IO2 ! *:_:* LLNL *:_:*
+IC4H8OOH-TO2 ! *:_:* LLNL *:_:*
+IC4KETII ! *:_:* LLNL *:_:*
+IC4KETIT ! *:_:* LLNL *:_:*
+IC4H7OH ! *:_:* LLNL *:_:*
+IC4H6OH ! *:_:* LLNL *:_:*
+IC3H5CHO ! *:_:* LLNL *:_:*
+IC3H5CO ! *:_:* LLNL *:_:*
+TC3H6OCHO ! *:_:* LLNL *:_:*
+IC3H6CO ! *:_:* LLNL *:_:*
+IC4H7OOH ! *:_:* LLNL *:_:*
+TC3H6OHCHO ! *:_:* LLNL *:_:*
+TC3H6OH ! *:_:* LLNL *:_:*
+IC3H5OH ! *:_:* LLNL *:_:*
+TC3H6O2CHO ! *:_:* LLNL *:_:*
+TC3H6O2HCO ! *:_:* LLNL *:_:*
+IC3H5O2HCHO ! *:_:* LLNL *:_:*
+CH2CCH2OH ! *:_:* LLNL *:_:*
+TC4H8CHO ! *:_:* LLNL *:_:*
+O2C4H8CHO ! *:_:* LLNL *:_:*
+O2HC4H8CO ! *:_:* LLNL *:_:*
+C3H5OH ! *:_:* LLNL *:_:*
+TIC4H7Q2-I ! *:_:* LLNL *:_:*
+IIC4H7Q2-T ! *:_:* LLNL *:_:*
+IIC4H7Q2-I ! *:_:* LLNL *:_:*
+CH2O2H ! *:_:* LLNL *:_:*
+NC5H12 ! *:_:* LLNL *:_:*
+C5H11-1 ! *:_:* LLNL *:_:*
+C5H11-2 ! *:_:* LLNL *:_:*
+C5H11-3 ! *:_:* LLNL *:_:*
+C5H10-1 ! *:_:* LLNL *:_:*
+C5H10-2 ! *:_:* LLNL *:_:*
+C5H81-3 ! *:_:* LLNL *:_:*
+C5H91-3 ! *:_:* LLNL *:_:*
+C5H91-4 ! *:_:* LLNL *:_:*
+C5H91-5 ! *:_:* LLNL *:_:*
+C5H92-4 ! *:_:* LLNL *:_:*
+C5H92-5 ! *:_:* LLNL *:_:*
+C5H9O1-3 ! *:_:* LLNL *:_:*
+C5H9O2-4 ! *:_:* LLNL *:_:*
+C5H11O2H-1 ! *:_:* LLNL *:_:*
+C5H11O2H-2 ! *:_:* LLNL *:_:*
+C5H11O2H-3 ! *:_:* LLNL *:_:*
+C5H11O2-1 ! *:_:* LLNL *:_:*
+C5H11O2-2 ! *:_:* LLNL *:_:*
+C5H11O2-3 ! *:_:* LLNL *:_:*
+C5H11O-1 ! *:_:* LLNL *:_:*
+C5H11O-2 ! *:_:* LLNL *:_:*
+C5H11O-3 ! *:_:* LLNL *:_:*
+C5H10OOH1-2 ! *:_:* LLNL *:_:*
+C5H10OOH1-3 ! *:_:* LLNL *:_:*
+C5H10OOH1-4 ! *:_:* LLNL *:_:*
+C5H10OOH1-5 ! *:_:* LLNL *:_:*
+C5H10OOH2-1 ! *:_:* LLNL *:_:*
+C5H10OOH2-3 ! *:_:* LLNL *:_:*
+C5H10OOH2-4 ! *:_:* LLNL *:_:*
+C5H10OOH2-5 ! *:_:* LLNL *:_:*
+C5H10OOH3-2 ! *:_:* LLNL *:_:*
+C5H10OOH3-1 ! *:_:* LLNL *:_:*
+C5H10O1-2 ! *:_:* LLNL *:_:*
+C5H10O1-3 ! *:_:* LLNL *:_:*
+C5H10O1-4 ! *:_:* LLNL *:_:*
+C5H10O1-5 ! *:_:* LLNL *:_:*
+C5H10O2-3 ! *:_:* LLNL *:_:*
+C5H10O2-4 ! *:_:* LLNL *:_:*
+C5H10OOH1-2O2 ! *:_:* LLNL *:_:*
+C5H10OOH1-3O2 ! *:_:* LLNL *:_:*
+C5H10OOH1-4O2 ! *:_:* LLNL *:_:*
+C5H10OOH1-5O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-1O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-3O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-4O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-5O2 ! *:_:* LLNL *:_:*
+C5H10OOH3-1O2 ! *:_:* LLNL *:_:*
+C5H10OOH3-2O2 ! *:_:* LLNL *:_:*
+NC5KET12 ! *:_:* LLNL *:_:*
+NC5KET13 ! *:_:* LLNL *:_:*
+NC5KET14 ! *:_:* LLNL *:_:*
+NC5KET15 ! *:_:* LLNL *:_:*
+NC5KET21 ! *:_:* LLNL *:_:*
+NC5KET23 ! *:_:* LLNL *:_:*
+NC5KET24 ! *:_:* LLNL *:_:*
+NC5KET25 ! *:_:* LLNL *:_:*
+NC5KET31 ! *:_:* LLNL *:_:*
+NC5KET32 ! *:_:* LLNL *:_:*
+C5H10OH-1 ! *:_:* LLNL *:_:*
+C5H10OH-2 ! *:_:* LLNL *:_:*
+O2C5H10OH-1 ! *:_:* LLNL *:_:*
+O2C5H10OH-2 ! *:_:* LLNL *:_:*
+NC6H14 ! *:_:* LLNL *:_:*
+C6H13-1 ! *:_:* LLNL *:_:*
+C6H13-2 ! *:_:* LLNL *:_:*
+C6H13-3 ! *:_:* LLNL *:_:*
+C6H12-1 ! *:_:* LLNL *:_:*
+C6H12-2 ! *:_:* LLNL *:_:*
+C6H12-3 ! *:_:* LLNL *:_:*
+C6H111-3 ! *:_:* LLNL *:_:*
+C6H111-4 ! *:_:* LLNL *:_:*
+C6H111-5 ! *:_:* LLNL *:_:*
+C6H111-6 ! *:_:* LLNL *:_:*
+C6H112-4 ! *:_:* LLNL *:_:*
+C6H112-5 ! *:_:* LLNL *:_:*
+C6H112-6 ! *:_:* LLNL *:_:*
+C6H113-1 ! *:_:* LLNL *:_:*
+C6H11O1-3 ! *:_:* LLNL *:_:*
+C6H11O2-4 ! *:_:* LLNL *:_:*
+C6H12O1-2 ! *:_:* LLNL *:_:*
+C6H12O1-3 ! *:_:* LLNL *:_:*
+C6H12O1-4 ! *:_:* LLNL *:_:*
+C6H12O1-5 ! *:_:* LLNL *:_:*
+C6H12O2-3 ! *:_:* LLNL *:_:*
+C6H12O2-4 ! *:_:* LLNL *:_:*
+C6H12O2-5 ! *:_:* LLNL *:_:*
+C6H12O3-4 ! *:_:* LLNL *:_:*
+C6H13O2H-1 ! *:_:* LLNL *:_:*
+C6H13O2H-2 ! *:_:* LLNL *:_:*
+C6H13O2H-3 ! *:_:* LLNL *:_:*
+C6H13O2-1 ! *:_:* LLNL *:_:*
+C6H13O2-2 ! *:_:* LLNL *:_:*
+C6H13O2-3 ! *:_:* LLNL *:_:*
+C6H12OOH1-2 ! *:_:* LLNL *:_:*
+C6H12OOH1-3 ! *:_:* LLNL *:_:*
+C6H12OOH1-4 ! *:_:* LLNL *:_:*
+C6H12OOH1-5 ! *:_:* LLNL *:_:*
+C6H12OOH2-1 ! *:_:* LLNL *:_:*
+C6H12OOH2-3 ! *:_:* LLNL *:_:*
+C6H12OOH2-4 ! *:_:* LLNL *:_:*
+C6H12OOH2-5 ! *:_:* LLNL *:_:*
+C6H12OOH2-6 ! *:_:* LLNL *:_:*
+C6H12OOH3-1 ! *:_:* LLNL *:_:*
+C6H12OOH3-2 ! *:_:* LLNL *:_:*
+C6H12OOH3-4 ! *:_:* LLNL *:_:*
+C6H12OOH3-5 ! *:_:* LLNL *:_:*
+C6H12OOH3-6 ! *:_:* LLNL *:_:*
+C6H12OOH1-2O2 ! *:_:* LLNL *:_:*
+C6H12OOH1-3O2 ! *:_:* LLNL *:_:*
+C6H12OOH1-4O2 ! *:_:* LLNL *:_:*
+C6H12OOH1-5O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-1O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-3O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-4O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-5O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-6O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-1O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-2O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-4O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-5O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-6O2 ! *:_:* LLNL *:_:*
+NC6KET12 ! *:_:* LLNL *:_:*
+NC6KET13 ! *:_:* LLNL *:_:*
+NC6KET14 ! *:_:* LLNL *:_:*
+NC6KET15 ! *:_:* LLNL *:_:*
+NC6KET21 ! *:_:* LLNL *:_:*
+NC6KET23 ! *:_:* LLNL *:_:*
+NC6KET24 ! *:_:* LLNL *:_:*
+NC6KET25 ! *:_:* LLNL *:_:*
+NC6KET26 ! *:_:* LLNL *:_:*
+NC6KET31 ! *:_:* LLNL *:_:*
+NC6KET32 ! *:_:* LLNL *:_:*
+NC6KET34 ! *:_:* LLNL *:_:*
+NC6KET35 ! *:_:* LLNL *:_:*
+NC6KET36 ! *:_:* LLNL *:_:*
+C6H13O-1 ! *:_:* LLNL *:_:*
+C6H13O-2 ! *:_:* LLNL *:_:*
+C6H13O-3 ! *:_:* LLNL *:_:*
+C6H12OH-1 ! *:_:* LLNL *:_:*
+C6H12OH-2 ! *:_:* LLNL *:_:*
+C6H12OH-3 ! *:_:* LLNL *:_:*
+O2C6H12OH-1 ! *:_:* LLNL *:_:*
+O2C6H12OH-2 ! *:_:* LLNL *:_:*
+O2C6H12OH-3 ! *:_:* LLNL *:_:*
+NC4H9CHO ! *:_:* LLNL *:_:*
+NC4H9CO ! *:_:* LLNL *:_:*
+C4H8CHO-1 ! *:_:* LLNL *:_:*
+C4H8CHO-2 ! *:_:* LLNL *:_:*
+C4H8CHO-3 ! *:_:* LLNL *:_:*
+C4H8CHO-4 ! *:_:* LLNL *:_:*
+AC3H5CHO ! *:_:* LLNL *:_:*
+AC3H5CO ! *:_:* LLNL *:_:*
+C2H3CHCHO ! *:_:* LLNL *:_:*
+NC3H7COCH3 ! *:_:* LLNL *:_:*
+NC3H7COCH2 ! *:_:* LLNL *:_:*
+C3H6COCH3-1 ! *:_:* LLNL *:_:*
+C3H6COCH3-2 ! *:_:* LLNL *:_:*
+C3H6COCH3-3 ! *:_:* LLNL *:_:*
+C2H5COC2H5 ! *:_:* LLNL *:_:*
+C2H5COC2H4P ! *:_:* LLNL *:_:*
+C2H5COC2H4S ! *:_:* LLNL *:_:*
+C2H5COC2H3 ! *:_:* LLNL *:_:*
+PC2H4COC2H3 ! *:_:* LLNL *:_:*
+SC2H4COC2H3 ! *:_:* LLNL *:_:*
+NC7H16 ! *:_:* LLNL *:_:*
+C7H15-1 ! *:_:* LLNL *:_:*
+C7H15-2 ! *:_:* LLNL *:_:*
+C7H15-3 ! *:_:* LLNL *:_:*
+C7H15-4 ! *:_:* LLNL *:_:*
+C7H14-1 ! *:_:* LLNL *:_:*
+C7H14-2 ! *:_:* LLNL *:_:*
+C7H14-3 ! *:_:* LLNL *:_:*
+C7H131-3 ! *:_:* LLNL *:_:*
+C7H131-4 ! *:_:* LLNL *:_:*
+C7H131-5 ! *:_:* LLNL *:_:*
+C7H131-6 ! *:_:* LLNL *:_:*
+C7H131-7 ! *:_:* LLNL *:_:*
+C7H132-4 ! *:_:* LLNL *:_:*
+C7H132-5 ! *:_:* LLNL *:_:*
+C7H132-6 ! *:_:* LLNL *:_:*
+C7H132-7 ! *:_:* LLNL *:_:*
+C7H133-1 ! *:_:* LLNL *:_:*
+C7H133-5 ! *:_:* LLNL *:_:*
+C7H133-6 ! *:_:* LLNL *:_:*
+C7H133-7 ! *:_:* LLNL *:_:*
+C7H13O1-3 ! *:_:* LLNL *:_:*
+C7H13O2-4 ! *:_:* LLNL *:_:*
+C7H13O3-5 ! *:_:* LLNL *:_:*
+C7H15O2-1 ! *:_:* LLNL *:_:*
+C7H15O2-2 ! *:_:* LLNL *:_:*
+C7H15O2-3 ! *:_:* LLNL *:_:*
+C7H15O2-4 ! *:_:* LLNL *:_:*
+C7H15O2H-1 ! *:_:* LLNL *:_:*
+C7H15O2H-2 ! *:_:* LLNL *:_:*
+C7H15O2H-3 ! *:_:* LLNL *:_:*
+C7H15O2H-4 ! *:_:* LLNL *:_:*
+C7H15O-1 ! *:_:* LLNL *:_:*
+C7H15O-2 ! *:_:* LLNL *:_:*
+C7H15O-3 ! *:_:* LLNL *:_:*
+C7H15O-4 ! *:_:* LLNL *:_:*
+C7H14OOH1-2 ! *:_:* LLNL *:_:*
+C7H14OOH1-3 ! *:_:* LLNL *:_:*
+C7H14OOH1-4 ! *:_:* LLNL *:_:*
+C7H14OOH1-5 ! *:_:* LLNL *:_:*
+C7H14OOH2-1 ! *:_:* LLNL *:_:*
+C7H14OOH2-3 ! *:_:* LLNL *:_:*
+C7H14OOH2-4 ! *:_:* LLNL *:_:*
+C7H14OOH2-5 ! *:_:* LLNL *:_:*
+C7H14OOH2-6 ! *:_:* LLNL *:_:*
+C7H14OOH3-1 ! *:_:* LLNL *:_:*
+C7H14OOH3-2 ! *:_:* LLNL *:_:*
+C7H14OOH3-4 ! *:_:* LLNL *:_:*
+C7H14OOH3-5 ! *:_:* LLNL *:_:*
+C7H14OOH3-6 ! *:_:* LLNL *:_:*
+C7H14OOH3-7 ! *:_:* LLNL *:_:*
+C7H14OOH4-1 ! *:_:* LLNL *:_:*
+C7H14OOH4-2 ! *:_:* LLNL *:_:*
+C7H14OOH4-3 ! *:_:* LLNL *:_:*
+C7H14OOH1-2O2 ! *:_:* LLNL *:_:*
+C7H14OOH1-3O2 ! *:_:* LLNL *:_:*
+C7H14OOH1-4O2 ! *:_:* LLNL *:_:*
+C7H14OOH1-5O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-1O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-3O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-4O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-5O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-6O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-1O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-2O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-4O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-5O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-6O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-7O2 ! *:_:* LLNL *:_:*
+C7H14OOH4-1O2 ! *:_:* LLNL *:_:*
+C7H14OOH4-2O2 ! *:_:* LLNL *:_:*
+C7H14OOH4-3O2 ! *:_:* LLNL *:_:*
+C7H14O1-2 ! *:_:* LLNL *:_:*
+C7H14O1-3 ! *:_:* LLNL *:_:*
+C7H14O1-4 ! *:_:* LLNL *:_:*
+C7H14O1-5 ! *:_:* LLNL *:_:*
+C7H14O2-3 ! *:_:* LLNL *:_:*
+C7H14O2-4 ! *:_:* LLNL *:_:*
+C7H14O2-5 ! *:_:* LLNL *:_:*
+C7H14O2-6 ! *:_:* LLNL *:_:*
+C7H14O3-4 ! *:_:* LLNL *:_:*
+C7H14O3-5 ! *:_:* LLNL *:_:*
+NC7KET12 ! *:_:* LLNL *:_:*
+NC7KET13 ! *:_:* LLNL *:_:*
+NC7KET14 ! *:_:* LLNL *:_:*
+NC7KET15 ! *:_:* LLNL *:_:*
+NC7KET21 ! *:_:* LLNL *:_:*
+NC7KET23 ! *:_:* LLNL *:_:*
+NC7KET24 ! *:_:* LLNL *:_:*
+NC7KET25 ! *:_:* LLNL *:_:*
+NC7KET26 ! *:_:* LLNL *:_:*
+NC7KET31 ! *:_:* LLNL *:_:*
+NC7KET32 ! *:_:* LLNL *:_:*
+NC7KET34 ! *:_:* LLNL *:_:*
+NC7KET35 ! *:_:* LLNL *:_:*
+NC7KET36 ! *:_:* LLNL *:_:*
+NC7KET37 ! *:_:* LLNL *:_:*
+NC7KET41 ! *:_:* LLNL *:_:*
+NC7KET42 ! *:_:* LLNL *:_:*
+NC7KET43 ! *:_:* LLNL *:_:*
+C7H14OH-1 ! *:_:* LLNL *:_:*
+C7H14OH-2 ! *:_:* LLNL *:_:*
+C7H14OH-3 ! *:_:* LLNL *:_:*
+O2C7H14OH-1 ! *:_:* LLNL *:_:*
+O2C7H14OH-2 ! *:_:* LLNL *:_:*
+O2C7H14OH-3 ! *:_:* LLNL *:_:*
+NC5H11CHO ! *:_:* LLNL *:_:*
+NC5H11CO ! *:_:* LLNL *:_:*
+C5H10CHO-1 ! *:_:* LLNL *:_:*
+C5H10CHO-2 ! *:_:* LLNL *:_:*
+C5H10CHO-3 ! *:_:* LLNL *:_:*
+C5H10CHO-4 ! *:_:* LLNL *:_:*
+C5H10CHO-5 ! *:_:* LLNL *:_:*
+C4H7CHO1-4 ! *:_:* LLNL *:_:*
+C4H7CO1-4 ! *:_:* LLNL *:_:*
+C4H6CHO1-43 ! *:_:* LLNL *:_:*
+C4H6CHO1-44 ! *:_:* LLNL *:_:*
+NC4H9COCH3 ! *:_:* LLNL *:_:*
+NC4H9COCH2 ! *:_:* LLNL *:_:*
+C4H8COCH3-1 ! *:_:* LLNL *:_:*
+C4H8COCH3-2 ! *:_:* LLNL *:_:*
+C4H8COCH3-3 ! *:_:* LLNL *:_:*
+C4H8COCH3-4 ! *:_:* LLNL *:_:*
+C4H7OOH1-4 ! *:_:* LLNL *:_:*
+C4H7O1-4 ! *:_:* LLNL *:_:*
+C5H9OOH1-4 ! *:_:* LLNL *:_:*
+C5H9O1-4 ! *:_:* LLNL *:_:*
+C5H9OOH1-5 ! *:_:* LLNL *:_:*
+C5H9O1-5 ! *:_:* LLNL *:_:*
+C6H11OOH1-4 ! *:_:* LLNL *:_:*
+C6H11O1-4 ! *:_:* LLNL *:_:*
+C6H11OOH1-5 ! *:_:* LLNL *:_:*
+C6H11O1-5 ! *:_:* LLNL *:_:*
+C5H91-1 ! *:_:* LLNL *:_:*
+C4H7CHO1-1 ! *:_:* LLNL *:_:*
+C4H7CO1-1 ! *:_:* LLNL *:_:*
+C4H6CHO1-14 ! *:_:* LLNL *:_:*
+C4H6CHO1-13 ! *:_:* LLNL *:_:*
+NC3H7COC2H5 ! *:_:* LLNL *:_:*
+C3H6COC2H5-1 ! *:_:* LLNL *:_:*
+C3H6COC2H5-2 ! *:_:* LLNL *:_:*
+C3H6COC2H5-3 ! *:_:* LLNL *:_:*
+NC3H7COC2H4P ! *:_:* LLNL *:_:*
+NC3H7COC2H4S ! *:_:* LLNL *:_:*
+CHCHCHO ! *:_:* LLNL *:_:*
+C6H101-3 ! *:_:* LLNL *:_:*
+C6H101-4 ! *:_:* LLNL *:_:*
+C6H101-5 ! *:_:* LLNL *:_:*
+C6H102-4 ! *:_:* LLNL *:_:*
+ETES1 ! *:_:* LLNL *:_:*
+MVOX ! *:_:* LLNL *:_:*
+VTHF ! *:_:* LLNL *:_:*
+EDHF ! *:_:* LLNL *:_:*
+C6H111O2H-4 ! *:_:* LLNL *:_:*
+C6H111O2H-5 ! *:_:* LLNL *:_:*
+C6H111O2H-6 ! *:_:* LLNL *:_:*
+C6H112O2H-4 ! *:_:* LLNL *:_:*
+C6H112O2H-5 ! *:_:* LLNL *:_:*
+C6H112O2H-6 ! *:_:* LLNL *:_:*
+C6H113O2H-2 ! *:_:* LLNL *:_:*
+C6H113O2H-1 ! *:_:* LLNL *:_:*
+NC6D1KET34 ! *:_:* LLNL *:_:*
+NC6D1KET35 ! *:_:* LLNL *:_:*
+NC6D1KET36 ! *:_:* LLNL *:_:*
+NC6D1KET43 ! *:_:* LLNL *:_:*
+NC6D1KET45 ! *:_:* LLNL *:_:*
+NC6D1KET46 ! *:_:* LLNL *:_:*
+NC6D1KET53 ! *:_:* LLNL *:_:*
+NC6D1KET54 ! *:_:* LLNL *:_:*
+NC6D1KET56 ! *:_:* LLNL *:_:*
+NC6D1KET63 ! *:_:* LLNL *:_:*
+NC6D1KET64 ! *:_:* LLNL *:_:*
+NC6D1KET65 ! *:_:* LLNL *:_:*
+NC6D2KET45 ! *:_:* LLNL *:_:*
+NC6D2KET46 ! *:_:* LLNL *:_:*
+NC6D2KET54 ! *:_:* LLNL *:_:*
+NC6D2KET56 ! *:_:* LLNL *:_:*
+NC6D2KET64 ! *:_:* LLNL *:_:*
+NC6D2KET65 ! *:_:* LLNL *:_:*
+NC6D3KET12 ! *:_:* LLNL *:_:*
+NC6D3KET21 ! *:_:* LLNL *:_:*
+C6H112O2-1 ! *:_:* LLNL *:_:*
+C6H111O2-3 ! *:_:* LLNL *:_:*
+C6H111O2-4 ! *:_:* LLNL *:_:*
+C6H111O2-5 ! *:_:* LLNL *:_:*
+C6H111O2-6 ! *:_:* LLNL *:_:*
+C6H112O2-4 ! *:_:* LLNL *:_:*
+C6H112O2-5 ! *:_:* LLNL *:_:*
+C6H112O2-6 ! *:_:* LLNL *:_:*
+C6H113O2-1 ! *:_:* LLNL *:_:*
+C6H113O2-2 ! *:_:* LLNL *:_:*
+C6H101OOH3-4 ! *:_:* LLNL *:_:*
+C6H101OOH3-5 ! *:_:* LLNL *:_:*
+C6H101OOH3-6 ! *:_:* LLNL *:_:*
+C6H101OOH4-3 ! *:_:* LLNL *:_:*
+C6H101OOH4-5 ! *:_:* LLNL *:_:*
+C6H101OOH4-6 ! *:_:* LLNL *:_:*
+C6H101OOH5-3 ! *:_:* LLNL *:_:*
+C6H101OOH5-4 ! *:_:* LLNL *:_:*
+C6H101OOH5-6 ! *:_:* LLNL *:_:*
+C6H101OOH6-3 ! *:_:* LLNL *:_:*
+C6H101OOH6-4 ! *:_:* LLNL *:_:*
+C6H101OOH6-5 ! *:_:* LLNL *:_:*
+C6H101OOH3-4O2 ! *:_:* LLNL *:_:*
+C6H101OOH3-5O2 ! *:_:* LLNL *:_:*
+C6H101OOH3-6O2 ! *:_:* LLNL *:_:*
+C6H101OOH4-3O2 ! *:_:* LLNL *:_:*
+C6H101OOH4-5O2 ! *:_:* LLNL *:_:*
+C6H101OOH4-6O2 ! *:_:* LLNL *:_:*
+C6H101OOH5-3O2 ! *:_:* LLNL *:_:*
+C6H101OOH5-4O2 ! *:_:* LLNL *:_:*
+C6H101OOH5-6O2 ! *:_:* LLNL *:_:*
+C6H101OOH6-3O2 ! *:_:* LLNL *:_:*
+C6H101OOH6-4O2 ! *:_:* LLNL *:_:*
+C6H101OOH6-5O2 ! *:_:* LLNL *:_:*
+C6H102OOH5-4 ! *:_:* LLNL *:_:*
+C6H103OOH1-2 ! *:_:* LLNL *:_:*
+C6H102OOH4-5 ! *:_:* LLNL *:_:*
+C6H102OOH4-6 ! *:_:* LLNL *:_:*
+C6H102OOH5-6 ! *:_:* LLNL *:_:*
+C6H102OOH6-4 ! *:_:* LLNL *:_:*
+C6H102OOH6-5 ! *:_:* LLNL *:_:*
+C6H103OOH2-1 ! *:_:* LLNL *:_:*
+C6H102OOH4-5O2 ! *:_:* LLNL *:_:*
+C6H102OOH4-6O2 ! *:_:* LLNL *:_:*
+C6H102OOH5-4O2 ! *:_:* LLNL *:_:*
+C6H102OOH5-6O2 ! *:_:* LLNL *:_:*
+C6H102OOH6-4O2 ! *:_:* LLNL *:_:*
+C6H102OOH6-5O2 ! *:_:* LLNL *:_:*
+C6H103OOH2-1O2 ! *:_:* LLNL *:_:*
+C6H103OOH1-2O2 ! *:_:* LLNL *:_:*
+C2H3COC3H7 ! *:_:* LLNL *:_:*
+C5H81-4 ! *:_:* LLNL *:_:*
+C5H91O2-3 ! *:_:* LLNL *:_:*
+C5H91O2-4 ! *:_:* LLNL *:_:*
+C5H91O2-5 ! *:_:* LLNL *:_:*
+C5H81OOH3-4 ! *:_:* LLNL *:_:*
+C5H81OOH3-5 ! *:_:* LLNL *:_:*
+C5H81OOH4-3 ! *:_:* LLNL *:_:*
+C5H81OOH4-5 ! *:_:* LLNL *:_:*
+C5H81OOH5-4 ! *:_:* LLNL *:_:*
+C5H81OOH5-3 ! *:_:* LLNL *:_:*
+C5H92O2-1 ! *:_:* LLNL *:_:*
+C5H81OOH3-4O2 ! *:_:* LLNL *:_:*
+C5H81OOH3-5O2 ! *:_:* LLNL *:_:*
+C5H81OOH4-3O2 ! *:_:* LLNL *:_:*
+C5H81OOH4-5O2 ! *:_:* LLNL *:_:*
+C5H81OOH5-3O2 ! *:_:* LLNL *:_:*
+C5H81OOH5-4O2 ! *:_:* LLNL *:_:*
+NC5D1KET34 ! *:_:* LLNL *:_:*
+NC5D1KET35 ! *:_:* LLNL *:_:*
+NC5D1KET43 ! *:_:* LLNL *:_:*
+NC5D1KET45 ! *:_:* LLNL *:_:*
+NC5D1KET53 ! *:_:* LLNL *:_:*
+NC5D1KET54 ! *:_:* LLNL *:_:*
+CY3C5H8O ! *:_:* LLNL *:_:*
+C5H92O2-4 ! *:_:* LLNL *:_:*
+C5H92O2-5 ! *:_:* LLNL *:_:*
+C5H82OOH4-5 ! *:_:* LLNL *:_:*
+C5H82OOH5-4 ! *:_:* LLNL *:_:*
+C5H82OOH4-5O2 ! *:_:* LLNL *:_:*
+C5H82OOH5-4O2 ! *:_:* LLNL *:_:*
+NC5D2KET45 ! *:_:* LLNL *:_:*
+NC5D2KET54 ! *:_:* LLNL *:_:*
+IC5H12 ! *:_:* LLNL *:_:*
+AC5H11 ! *:_:* LLNL *:_:*
+BC5H11 ! *:_:* LLNL *:_:*
+CC5H11 ! *:_:* LLNL *:_:*
+DC5H11 ! *:_:* LLNL *:_:*
+AC5H10 ! *:_:* LLNL *:_:*
+BC5H10 ! *:_:* LLNL *:_:*
+CC5H10 ! *:_:* LLNL *:_:*
+AC5H9-A2 ! *:_:* LLNL *:_:*
+AC5H9-C ! *:_:* LLNL *:_:*
+AC5H9-D ! *:_:* LLNL *:_:*
+CC5H9-A ! *:_:* LLNL *:_:*
+CC5H9-B ! *:_:* LLNL *:_:*
+AC5H9O-A2 ! *:_:* LLNL *:_:*
+AC5H9O-C ! *:_:* LLNL *:_:*
+CC5H9O-B ! *:_:* LLNL *:_:*
+AC5H11O2H ! *:_:* LLNL *:_:*
+BC5H11O2H ! *:_:* LLNL *:_:*
+CC5H11O2H ! *:_:* LLNL *:_:*
+DC5H11O2H ! *:_:* LLNL *:_:*
+AC5H11O2 ! *:_:* LLNL *:_:*
+BC5H11O2 ! *:_:* LLNL *:_:*
+CC5H11O2 ! *:_:* LLNL *:_:*
+DC5H11O2 ! *:_:* LLNL *:_:*
+AC5H11O ! *:_:* LLNL *:_:*
+BC5H11O ! *:_:* LLNL *:_:*
+CC5H11O ! *:_:* LLNL *:_:*
+DC5H11O ! *:_:* LLNL *:_:*
+AC5H10OOH-A ! *:_:* LLNL *:_:*
+AC5H10OOH-B ! *:_:* LLNL *:_:*
+AC5H10OOH-C ! *:_:* LLNL *:_:*
+AC5H10OOH-D ! *:_:* LLNL *:_:*
+BC5H10OOH-A ! *:_:* LLNL *:_:*
+BC5H10OOH-C ! *:_:* LLNL *:_:*
+BC5H10OOH-D ! *:_:* LLNL *:_:*
+CC5H10OOH-A ! *:_:* LLNL *:_:*
+CC5H10OOH-B ! *:_:* LLNL *:_:*
+CC5H10OOH-D ! *:_:* LLNL *:_:*
+DC5H10OOH-A ! *:_:* LLNL *:_:*
+DC5H10OOH-B ! *:_:* LLNL *:_:*
+DC5H10OOH-C ! *:_:* LLNL *:_:*
+A-AC5H10O ! *:_:* LLNL *:_:*
+A-BC5H10O ! *:_:* LLNL *:_:*
+A-CC5H10O ! *:_:* LLNL *:_:*
+A-DC5H10O ! *:_:* LLNL *:_:*
+B-CC5H10O ! *:_:* LLNL *:_:*
+B-DC5H10O ! *:_:* LLNL *:_:*
+C-DC5H10O ! *:_:* LLNL *:_:*
+AC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+AC5H10OOH-BO2 ! *:_:* LLNL *:_:*
+AC5H10OOH-CO2 ! *:_:* LLNL *:_:*
+AC5H10OOH-DO2 ! *:_:* LLNL *:_:*
+BC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+BC5H10OOH-CO2 ! *:_:* LLNL *:_:*
+BC5H10OOH-DO2 ! *:_:* LLNL *:_:*
+CC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+CC5H10OOH-BO2 ! *:_:* LLNL *:_:*
+CC5H10OOH-DO2 ! *:_:* LLNL *:_:*
+DC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+DC5H10OOH-BO2 ! *:_:* LLNL *:_:*
+DC5H10OOH-CO2 ! *:_:* LLNL *:_:*
+IC5KETAA ! *:_:* LLNL *:_:*
+IC5KETAB ! *:_:* LLNL *:_:*
+IC5KETAC ! *:_:* LLNL *:_:*
+IC5KETAD ! *:_:* LLNL *:_:*
+IC5KETCA ! *:_:* LLNL *:_:*
+IC5KETCB ! *:_:* LLNL *:_:*
+IC5KETCD ! *:_:* LLNL *:_:*
+IC5KETDA ! *:_:* LLNL *:_:*
+IC5KETDB ! *:_:* LLNL *:_:*
+IC5KETDC ! *:_:* LLNL *:_:*
+AC5H10OH ! *:_:* LLNL *:_:*
+BC5H10OH ! *:_:* LLNL *:_:*
+CC5H10OH ! *:_:* LLNL *:_:*
+AO2C5H10OH ! *:_:* LLNL *:_:*
+BO2C5H10OH ! *:_:* LLNL *:_:*
+CO2C5H10OH ! *:_:* LLNL *:_:*
+CH3CHCHO ! *:_:* LLNL *:_:*
+IC3H5COCH3 ! *:_:* LLNL *:_:*
+IC3H5COCH2 ! *:_:* LLNL *:_:*
+AC3H4COCH3 ! *:_:* LLNL *:_:*
+IC6H14 ! *:_:* LLNL *:_:*
+AC6H13 ! *:_:* LLNL *:_:*
+BC6H13 ! *:_:* LLNL *:_:*
+CC6H13 ! *:_:* LLNL *:_:*
+DC6H13 ! *:_:* LLNL *:_:*
+EC6H13 ! *:_:* LLNL *:_:*
+AC6H12 ! *:_:* LLNL *:_:*
+BC6H12 ! *:_:* LLNL *:_:*
+CC6H12 ! *:_:* LLNL *:_:*
+DC6H12 ! *:_:* LLNL *:_:*
+AC6H11-A2 ! *:_:* LLNL *:_:*
+AC6H11-C ! *:_:* LLNL *:_:*
+AC6H11-D ! *:_:* LLNL *:_:*
+AC6H11-E ! *:_:* LLNL *:_:*
+BC6H11-E ! *:_:* LLNL *:_:*
+CC6H11-A ! *:_:* LLNL *:_:*
+CC6H11-B ! *:_:* LLNL *:_:*
+DC6H11-A ! *:_:* LLNL *:_:*
+DC6H11-B ! *:_:* LLNL *:_:*
+DC6H11-C ! *:_:* LLNL *:_:*
+AC6H11O-C ! *:_:* LLNL *:_:*
+CC6H11O-B ! *:_:* LLNL *:_:*
+DC6H11O-C ! *:_:* LLNL *:_:*
+AC6H13O2 ! *:_:* LLNL *:_:*
+BC6H13O2 ! *:_:* LLNL *:_:*
+CC6H13O2 ! *:_:* LLNL *:_:*
+DC6H13O2 ! *:_:* LLNL *:_:*
+EC6H13O2 ! *:_:* LLNL *:_:*
+AC6H13O2H ! *:_:* LLNL *:_:*
+BC6H13O2H ! *:_:* LLNL *:_:*
+CC6H13O2H ! *:_:* LLNL *:_:*
+DC6H13O2H ! *:_:* LLNL *:_:*
+EC6H13O2H ! *:_:* LLNL *:_:*
+AC6H13O ! *:_:* LLNL *:_:*
+BC6H13O ! *:_:* LLNL *:_:*
+CC6H13O ! *:_:* LLNL *:_:*
+DC6H13O ! *:_:* LLNL *:_:*
+EC6H13O ! *:_:* LLNL *:_:*
+AC6H12OOH-A ! *:_:* LLNL *:_:*
+AC6H12OOH-B ! *:_:* LLNL *:_:*
+AC6H12OOH-C ! *:_:* LLNL *:_:*
+AC6H12OOH-D ! *:_:* LLNL *:_:*
+AC6H12OOH-E ! *:_:* LLNL *:_:*
+BC6H12OOH-A ! *:_:* LLNL *:_:*
+BC6H12OOH-C ! *:_:* LLNL *:_:*
+BC6H12OOH-D ! *:_:* LLNL *:_:*
+BC6H12OOH-E ! *:_:* LLNL *:_:*
+CC6H12OOH-A ! *:_:* LLNL *:_:*
+CC6H12OOH-B ! *:_:* LLNL *:_:*
+CC6H12OOH-D ! *:_:* LLNL *:_:*
+CC6H12OOH-E ! *:_:* LLNL *:_:*
+DC6H12OOH-A ! *:_:* LLNL *:_:*
+DC6H12OOH-B ! *:_:* LLNL *:_:*
+DC6H12OOH-C ! *:_:* LLNL *:_:*
+DC6H12OOH-E ! *:_:* LLNL *:_:*
+EC6H12OOH-A ! *:_:* LLNL *:_:*
+EC6H12OOH-B ! *:_:* LLNL *:_:*
+EC6H12OOH-C ! *:_:* LLNL *:_:*
+EC6H12OOH-D ! *:_:* LLNL *:_:*
+A-AC6H12O ! *:_:* LLNL *:_:*
+A-BC6H12O ! *:_:* LLNL *:_:*
+A-CC6H12O ! *:_:* LLNL *:_:*
+A-DC6H12O ! *:_:* LLNL *:_:*
+A-EC6H12O ! *:_:* LLNL *:_:*
+B-CC6H12O ! *:_:* LLNL *:_:*
+B-DC6H12O ! *:_:* LLNL *:_:*
+B-EC6H12O ! *:_:* LLNL *:_:*
+C-DC6H12O ! *:_:* LLNL *:_:*
+C-EC6H12O ! *:_:* LLNL *:_:*
+D-EC6H12O ! *:_:* LLNL *:_:*
+AC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+IC6KETAA ! *:_:* LLNL *:_:*
+IC6KETAB ! *:_:* LLNL *:_:*
+IC6KETAC ! *:_:* LLNL *:_:*
+IC6KETAD ! *:_:* LLNL *:_:*
+IC6KETAE ! *:_:* LLNL *:_:*
+IC6KETCA ! *:_:* LLNL *:_:*
+IC6KETCB ! *:_:* LLNL *:_:*
+IC6KETCD ! *:_:* LLNL *:_:*
+IC6KETCE ! *:_:* LLNL *:_:*
+IC6KETDA ! *:_:* LLNL *:_:*
+IC6KETDB ! *:_:* LLNL *:_:*
+IC6KETDC ! *:_:* LLNL *:_:*
+IC6KETDE ! *:_:* LLNL *:_:*
+IC6KETEA ! *:_:* LLNL *:_:*
+IC6KETEB ! *:_:* LLNL *:_:*
+IC6KETEC ! *:_:* LLNL *:_:*
+IC6KETED ! *:_:* LLNL *:_:*
+AC6H12OH ! *:_:* LLNL *:_:*
+BC6H12OH ! *:_:* LLNL *:_:*
+CC6H12OH ! *:_:* LLNL *:_:*
+DC6H12OH ! *:_:* LLNL *:_:*
+AO2C6H12OH ! *:_:* LLNL *:_:*
+BO2C6H12OH ! *:_:* LLNL *:_:*
+CO2C6H12OH ! *:_:* LLNL *:_:*
+DO2C6H12OH ! *:_:* LLNL *:_:*
+NC4H9CHO-2 ! *:_:* LLNL *:_:*
+NC4H9CO-2 ! *:_:* LLNL *:_:*
+C4H8CHO1-2 ! *:_:* LLNL *:_:*
+C4H8CHO2-2 ! *:_:* LLNL *:_:*
+C4H8CHO3-2 ! *:_:* LLNL *:_:*
+C4H8CHO4-2 ! *:_:* LLNL *:_:*
+IC4H9CHO ! *:_:* LLNL *:_:*
+IC4H9CO ! *:_:* LLNL *:_:*
+IC3H6CH2CHO ! *:_:* LLNL *:_:*
+TC3H6CH2CHO ! *:_:* LLNL *:_:*
+IC3H7CHCHO ! *:_:* LLNL *:_:*
+IC5H11CHO ! *:_:* LLNL *:_:*
+IC5H11CO ! *:_:* LLNL *:_:*
+AC5H10CHO ! *:_:* LLNL *:_:*
+BC5H10CHO ! *:_:* LLNL *:_:*
+CC5H10CHO ! *:_:* LLNL *:_:*
+DC5H10CHO ! *:_:* LLNL *:_:*
+C4H7CHO2-1 ! *:_:* LLNL *:_:*
+C4H7CO2-1 ! *:_:* LLNL *:_:*
+C4H6CHO2-11 ! *:_:* LLNL *:_:*
+NC5H11CHO-2 ! *:_:* LLNL *:_:*
+NC5H11CO-2 ! *:_:* LLNL *:_:*
+C5H10CHO1-2 ! *:_:* LLNL *:_:*
+C5H10CHO2-2 ! *:_:* LLNL *:_:*
+C5H10CHO3-2 ! *:_:* LLNL *:_:*
+C5H10CHO4-2 ! *:_:* LLNL *:_:*
+C5H10CHO5-2 ! *:_:* LLNL *:_:*
+IC4H9COCH3 ! *:_:* LLNL *:_:*
+IC4H9COCH2 ! *:_:* LLNL *:_:*
+IC3H6CH2COCH3 ! *:_:* LLNL *:_:*
+IC3H7CHCOCH3 ! *:_:* LLNL *:_:*
+TC3H6CH2COCH3 ! *:_:* LLNL *:_:*
+IC3H7COC2H5 ! *:_:* LLNL *:_:*
+IC3H6COC2H5 ! *:_:* LLNL *:_:*
+TC3H6COC2H5 ! *:_:* LLNL *:_:*
+IC3H7COC2H4P ! *:_:* LLNL *:_:*
+IC3H7COC2H4S ! *:_:* LLNL *:_:*
+IC3H5COC2H5 ! *:_:* LLNL *:_:*
+AC3H4COC2H5 ! *:_:* LLNL *:_:*
+IC3H5COC2H4P ! *:_:* LLNL *:_:*
+IC3H5COC2H4S ! *:_:* LLNL *:_:*
+IC3H7COCH3 ! *:_:* LLNL *:_:*
+IC3H7COCH2 ! *:_:* LLNL *:_:*
+IC3H6COCH3 ! *:_:* LLNL *:_:*
+TC3H6COCH3 ! *:_:* LLNL *:_:*
+C5H91-2 ! *:_:* LLNL *:_:*
+IC5H8 ! *:_:* LLNL *:_:*
+IC5H7 ! *:_:* LLNL *:_:*
+IC5H7O ! *:_:* LLNL *:_:*
+C4H5 ! *:_:* LLNL *:_:*
+IC4H7-I1 ! *:_:* LLNL *:_:*
+C7H16-24 ! *:_:* LLNL *:_:*
+XC7H15 ! *:_:* LLNL *:_:*
+YC7H15 ! *:_:* LLNL *:_:*
+ZC7H15 ! *:_:* LLNL *:_:*
+XC7H14 ! *:_:* LLNL *:_:*
+YC7H14 ! *:_:* LLNL *:_:*
+XC7H13-X1 ! *:_:* LLNL *:_:*
+XC7H13-Z ! *:_:* LLNL *:_:*
+XC7H13-X2 ! *:_:* LLNL *:_:*
+XC7H13-Y2 ! *:_:* LLNL *:_:*
+YC7H13-Y2 ! *:_:* LLNL *:_:*
+YC7H13-X2 ! *:_:* LLNL *:_:*
+XC7H13O-Z ! *:_:* LLNL *:_:*
+YC7H13O-Y2 ! *:_:* LLNL *:_:*
+XC7H15O2 ! *:_:* LLNL *:_:*
+YC7H15O2 ! *:_:* LLNL *:_:*
+ZC7H15O2 ! *:_:* LLNL *:_:*
+XC7H15O2H ! *:_:* LLNL *:_:*
+YC7H15O2H ! *:_:* LLNL *:_:*
+ZC7H15O2H ! *:_:* LLNL *:_:*
+XC7H15O ! *:_:* LLNL *:_:*
+YC7H15O ! *:_:* LLNL *:_:*
+ZC7H15O ! *:_:* LLNL *:_:*
+XC7H14OOH-X1 ! *:_:* LLNL *:_:*
+XC7H14OOH-Y1 ! *:_:* LLNL *:_:*
+XC7H14OOH-Z ! *:_:* LLNL *:_:*
+XC7H14OOH-Y2 ! *:_:* LLNL *:_:*
+XC7H14OOH-X2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X1 ! *:_:* LLNL *:_:*
+YC7H14OOH-Z ! *:_:* LLNL *:_:*
+YC7H14OOH-Y2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X2 ! *:_:* LLNL *:_:*
+ZC7H14OOH-X ! *:_:* LLNL *:_:*
+ZC7H14OOH-Y ! *:_:* LLNL *:_:*
+XC7H14OOH-X1O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-X2O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-Y1O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-Y2O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-ZO2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X1O2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X2O2 ! *:_:* LLNL *:_:*
+YC7H14OOH-Y2O2 ! *:_:* LLNL *:_:*
+YC7H14OOH-ZO2 ! *:_:* LLNL *:_:*
+ZC7H14OOH-XO2 ! *:_:* LLNL *:_:*
+ZC7H14OOH-YO2 ! *:_:* LLNL *:_:*
+X-X1C7H14O ! *:_:* LLNL *:_:*
+X-X2C7H14O ! *:_:* LLNL *:_:*
+X-Y1C7H14O ! *:_:* LLNL *:_:*
+X-Y2C7H14O ! *:_:* LLNL *:_:*
+X-ZC7H14O ! *:_:* LLNL *:_:*
+Y-YC7H14O ! *:_:* LLNL *:_:*
+Y-ZC7H14O ! *:_:* LLNL *:_:*
+C7KET24XX1 ! *:_:* LLNL *:_:*
+C7KET24XY1 ! *:_:* LLNL *:_:*
+C7KET24XZ ! *:_:* LLNL *:_:*
+C7KET24XY2 ! *:_:* LLNL *:_:*
+C7KET24XX2 ! *:_:* LLNL *:_:*
+C7KET24ZX ! *:_:* LLNL *:_:*
+C7KET24ZY ! *:_:* LLNL *:_:*
+XC7H14OH ! *:_:* LLNL *:_:*
+YC7H14OH ! *:_:* LLNL *:_:*
+XO2C7H14OH ! *:_:* LLNL *:_:*
+YO2C7H14OH ! *:_:* LLNL *:_:*
+ACC6H10 ! *:_:* LLNL *:_:*
+ACC6H9-A ! *:_:* LLNL *:_:*
+ACC6H9-D ! *:_:* LLNL *:_:*
+NEOC5H12 ! *:_:* LLNL *:_:*
+NEOC5H11 ! *:_:* LLNL *:_:*
+NEOC5H11O2H ! *:_:* LLNL *:_:*
+NEOC5H11O2 ! *:_:* LLNL *:_:*
+NEOC5H11O ! *:_:* LLNL *:_:*
+NEOC5H10OOH ! *:_:* LLNL *:_:*
+NEO-C5H10O ! *:_:* LLNL *:_:*
+NEOC5H10OOH-O2 ! *:_:* LLNL *:_:*
+NEOC5H9Q2 ! *:_:* LLNL *:_:*
+NEOC5H9Q2-N ! *:_:* LLNL *:_:*
+NEOC5KET ! *:_:* LLNL *:_:*
+NEOC5KETOX ! *:_:* LLNL *:_:*
+NEOC5KEJOL ! *:_:* LLNL *:_:*
+IC4H6Q2-II ! *:_:* LLNL *:_:*
+NEOC6H14 ! *:_:* LLNL *:_:*
+FC6H13 ! *:_:* LLNL *:_:*
+GC6H13 ! *:_:* LLNL *:_:*
+HC6H13 ! *:_:* LLNL *:_:*
+NEOC6H12 ! *:_:* LLNL *:_:*
+NEOC6H11 ! *:_:* LLNL *:_:*
+FC6H13O2 ! *:_:* LLNL *:_:*
+GC6H13O2 ! *:_:* LLNL *:_:*
+HC6H13O2 ! *:_:* LLNL *:_:*
+FC6H13O2H ! *:_:* LLNL *:_:*
+GC6H13O2H ! *:_:* LLNL *:_:*
+HC6H13O2H ! *:_:* LLNL *:_:*
+FC6H13O ! *:_:* LLNL *:_:*
+GC6H13O ! *:_:* LLNL *:_:*
+HC6H13O ! *:_:* LLNL *:_:*
+FC6H12OOH-F ! *:_:* LLNL *:_:*
+FC6H12OOH-G ! *:_:* LLNL *:_:*
+FC6H12OOH-H ! *:_:* LLNL *:_:*
+GC6H12OOH-F ! *:_:* LLNL *:_:*
+GC6H12OOH-H ! *:_:* LLNL *:_:*
+HC6H12OOH-F ! *:_:* LLNL *:_:*
+HC6H12OOH-G ! *:_:* LLNL *:_:*
+FC6H12OOH-FO2 ! *:_:* LLNL *:_:*
+FC6H12OOH-GO2 ! *:_:* LLNL *:_:*
+FC6H12OOH-HO2 ! *:_:* LLNL *:_:*
+GC6H12OOH-FO2 ! *:_:* LLNL *:_:*
+GC6H12OOH-HO2 ! *:_:* LLNL *:_:*
+HC6H12OOH-FO2 ! *:_:* LLNL *:_:*
+HC6H12OOH-GO2 ! *:_:* LLNL *:_:*
+F-FC6H12O ! *:_:* LLNL *:_:*
+F-GC6H12O ! *:_:* LLNL *:_:*
+F-HC6H12O ! *:_:* LLNL *:_:*
+G-HC6H12O ! *:_:* LLNL *:_:*
+NEOC6KETFF ! *:_:* LLNL *:_:*
+NEOC6KETFG ! *:_:* LLNL *:_:*
+NEOC6KETFH ! *:_:* LLNL *:_:*
+NEOC6KETGF ! *:_:* LLNL *:_:*
+NEOC6KETGH ! *:_:* LLNL *:_:*
+NEOC6KETHF ! *:_:* LLNL *:_:*
+NEOC6KETHG ! *:_:* LLNL *:_:*
+NEOC6H12OH ! *:_:* LLNL *:_:*
+NEOO2C6H12OH ! *:_:* LLNL *:_:*
+TC4H9CHO ! *:_:* LLNL *:_:*
+TC4H9CO ! *:_:* LLNL *:_:*
+NEOC5H11CHO ! *:_:* LLNL *:_:*
+NEOC5H11CO ! *:_:* LLNL *:_:*
+TC4H9CHCHO ! *:_:* LLNL *:_:*
+TC4H8CH2CHO ! *:_:* LLNL *:_:*
+IC4H7CHO ! *:_:* LLNL *:_:*
+IC4H7CO ! *:_:* LLNL *:_:*
+AC3H4CH2CHO ! *:_:* LLNL *:_:*
+IC3H5CHCHO ! *:_:* LLNL *:_:*
+IC5H11CHO-B ! *:_:* LLNL *:_:*
+IC5H11CO-B ! *:_:* LLNL *:_:*
+IC5H10CHO-BA ! *:_:* LLNL *:_:*
+IC5H10CHO-BC ! *:_:* LLNL *:_:*
+IC5H10CHO-BD ! *:_:* LLNL *:_:*
+C4H7CHO1-2 ! *:_:* LLNL *:_:*
+C4H7CO1-2 ! *:_:* LLNL *:_:*
+C4H6CHO1-23 ! *:_:* LLNL *:_:*
+C4H6CHO1-24 ! *:_:* LLNL *:_:*
+C4H7CHO2-2 ! *:_:* LLNL *:_:*
+C4H7CO2-2 ! *:_:* LLNL *:_:*
+C4H6CHO2-21 ! *:_:* LLNL *:_:*
+C4H6CHO2-24 ! *:_:* LLNL *:_:*
+CH2CCHCH3 ! *:_:* LLNL *:_:*
+TC4H9COCH3 ! *:_:* LLNL *:_:*
+TC4H9COCH2 ! *:_:* LLNL *:_:*
+TC4H8COCH3 ! *:_:* LLNL *:_:*
+CH2CCHO ! *:_:* LLNL *:_:*
+IC3H6CHCHO ! *:_:* LLNL *:_:*
+IC3H6CHCO ! *:_:* LLNL *:_:*
+AC3H5CHCHO ! *:_:* LLNL *:_:*
+AC5H9-A1 ! *:_:* LLNL *:_:*
+NEOC7H16 ! *:_:* LLNL *:_:*
+NC7H15 ! *:_:* LLNL *:_:*
+OC7H15 ! *:_:* LLNL *:_:*
+PC7H15 ! *:_:* LLNL *:_:*
+QC7H15 ! *:_:* LLNL *:_:*
+OC7H14 ! *:_:* LLNL *:_:*
+PC7H14 ! *:_:* LLNL *:_:*
+OC7H13-N ! *:_:* LLNL *:_:*
+PC7H13-N ! *:_:* LLNL *:_:*
+PC7H13-O ! *:_:* LLNL *:_:*
+PC7H13O-O ! *:_:* LLNL *:_:*
+NC7H15O2 ! *:_:* LLNL *:_:*
+OC7H15O2 ! *:_:* LLNL *:_:*
+PC7H15O2 ! *:_:* LLNL *:_:*
+QC7H15O2 ! *:_:* LLNL *:_:*
+NC7H15O2H ! *:_:* LLNL *:_:*
+OC7H15O2H ! *:_:* LLNL *:_:*
+PC7H15O2H ! *:_:* LLNL *:_:*
+QC7H15O2H ! *:_:* LLNL *:_:*
+NC7H15O ! *:_:* LLNL *:_:*
+OC7H15O ! *:_:* LLNL *:_:*
+PC7H15O ! *:_:* LLNL *:_:*
+QC7H15O ! *:_:* LLNL *:_:*
+NC7H14OOH-N2 ! *:_:* LLNL *:_:*
+NC7H14OOH-Q ! *:_:* LLNL *:_:*
+QC7H14OOH-N ! *:_:* LLNL *:_:*
+NC7H14OOH-O ! *:_:* LLNL *:_:*
+NC7H14OOH-P ! *:_:* LLNL *:_:*
+QC7H14OOH-O ! *:_:* LLNL *:_:*
+QC7H14OOH-P ! *:_:* LLNL *:_:*
+OC7H14OOH-N ! *:_:* LLNL *:_:*
+OC7H14OOH-Q ! *:_:* LLNL *:_:*
+PC7H14OOH-N ! *:_:* LLNL *:_:*
+PC7H14OOH-Q ! *:_:* LLNL *:_:*
+OC7H14OOH-P ! *:_:* LLNL *:_:*
+PC7H14OOH-O ! *:_:* LLNL *:_:*
+NC7H14OOH-N2O2 ! *:_:* LLNL *:_:*
+NC7H14OOH-QO2 ! *:_:* LLNL *:_:*
+QC7H14OOH-NO2 ! *:_:* LLNL *:_:*
+NC7H14OOH-OO2 ! *:_:* LLNL *:_:*
+NC7H14OOH-PO2 ! *:_:* LLNL *:_:*
+QC7H14OOH-OO2 ! *:_:* LLNL *:_:*
+QC7H14OOH-PO2 ! *:_:* LLNL *:_:*
+OC7H14OOH-NO2 ! *:_:* LLNL *:_:*
+OC7H14OOH-QO2 ! *:_:* LLNL *:_:*
+PC7H14OOH-NO2 ! *:_:* LLNL *:_:*
+PC7H14OOH-QO2 ! *:_:* LLNL *:_:*
+OC7H14OOH-PO2 ! *:_:* LLNL *:_:*
+PC7H14OOH-OO2 ! *:_:* LLNL *:_:*
+N-NC7H14O ! *:_:* LLNL *:_:*
+N-OC7H14O ! *:_:* LLNL *:_:*
+N-PC7H14O ! *:_:* LLNL *:_:*
+N-QC7H14O ! *:_:* LLNL *:_:*
+O-PC7H14O ! *:_:* LLNL *:_:*
+O-QC7H14O ! *:_:* LLNL *:_:*
+P-QC7H14O ! *:_:* LLNL *:_:*
+NEOC7KETNN ! *:_:* LLNL *:_:*
+NEOC7KETNO ! *:_:* LLNL *:_:*
+NEOC7KETNP ! *:_:* LLNL *:_:*
+NEOC7KETNQ ! *:_:* LLNL *:_:*
+NEOC7KETON ! *:_:* LLNL *:_:*
+NEOC7KETOP ! *:_:* LLNL *:_:*
+NEOC7KETOQ ! *:_:* LLNL *:_:*
+NEOC7KETPN ! *:_:* LLNL *:_:*
+NEOC7KETPO ! *:_:* LLNL *:_:*
+NEOC7KETPQ ! *:_:* LLNL *:_:*
+NEOC7KETQN ! *:_:* LLNL *:_:*
+NEOC7KETQO ! *:_:* LLNL *:_:*
+NEOC7KETQP ! *:_:* LLNL *:_:*
+OC7H14OH ! *:_:* LLNL *:_:*
+PC7H14OH ! *:_:* LLNL *:_:*
+OO2C7H14OH ! *:_:* LLNL *:_:*
+PO2C7H14OH ! *:_:* LLNL *:_:*
+IC8H18 ! *:_:* LLNL *:_:*
+AC8H17 ! *:_:* LLNL *:_:*
+BC8H17 ! *:_:* LLNL *:_:*
+CC8H17 ! *:_:* LLNL *:_:*
+DC8H17 ! *:_:* LLNL *:_:*
+IC8H16 ! *:_:* LLNL *:_:*
+JC8H16 ! *:_:* LLNL *:_:*
+IC8H15 ! *:_:* LLNL *:_:*
+AC8H17O2 ! *:_:* LLNL *:_:*
+BC8H17O2 ! *:_:* LLNL *:_:*
+CC8H17O2 ! *:_:* LLNL *:_:*
+DC8H17O2 ! *:_:* LLNL *:_:*
+AC8H17O2H ! *:_:* LLNL *:_:*
+BC8H17O2H ! *:_:* LLNL *:_:*
+CC8H17O2H ! *:_:* LLNL *:_:*
+DC8H17O2H ! *:_:* LLNL *:_:*
+AC8H17O ! *:_:* LLNL *:_:*
+BC8H17O ! *:_:* LLNL *:_:*
+CC8H17O ! *:_:* LLNL *:_:*
+DC8H17O ! *:_:* LLNL *:_:*
+AC8H16OOH-A ! *:_:* LLNL *:_:*
+AC8H16OOH-B ! *:_:* LLNL *:_:*
+AC8H16OOH-C ! *:_:* LLNL *:_:*
+AC8H16OOH-D ! *:_:* LLNL *:_:*
+BC8H16OOH-C ! *:_:* LLNL *:_:*
+BC8H16OOH-A ! *:_:* LLNL *:_:*
+BC8H16OOH-D ! *:_:* LLNL *:_:*
+CC8H16OOH-D ! *:_:* LLNL *:_:*
+CC8H16OOH-B ! *:_:* LLNL *:_:*
+CC8H16OOH-A ! *:_:* LLNL *:_:*
+DC8H16OOH-C ! *:_:* LLNL *:_:*
+DC8H16OOH-D ! *:_:* LLNL *:_:*
+DC8H16OOH-B ! *:_:* LLNL *:_:*
+DC8H16OOH-A ! *:_:* LLNL *:_:*
+IC8ETERAA ! *:_:* LLNL *:_:*
+IC8ETERAB ! *:_:* LLNL *:_:*
+IC8ETERAC ! *:_:* LLNL *:_:*
+IC8ETERAD ! *:_:* LLNL *:_:*
+IC8ETERBC ! *:_:* LLNL *:_:*
+IC8ETERBD ! *:_:* LLNL *:_:*
+IC8ETERCD ! *:_:* LLNL *:_:*
+IC8ETERDD ! *:_:* LLNL *:_:*
+AC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+AC8H16OOH-BO2 ! *:_:* LLNL *:_:*
+AC8H16OOH-CO2 ! *:_:* LLNL *:_:*
+AC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+BC8H16OOH-CO2 ! *:_:* LLNL *:_:*
+BC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+BC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+CC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+CC8H16OOH-BO2 ! *:_:* LLNL *:_:*
+CC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-CO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-BO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+IC8KETAA ! *:_:* LLNL *:_:*
+IC8KETAB ! *:_:* LLNL *:_:*
+IC8KETAC ! *:_:* LLNL *:_:*
+IC8KETAD ! *:_:* LLNL *:_:*
+IC8KETBA ! *:_:* LLNL *:_:*
+IC8KETBC ! *:_:* LLNL *:_:*
+IC8KETBD ! *:_:* LLNL *:_:*
+IC8KETDA ! *:_:* LLNL *:_:*
+IC8KETDB ! *:_:* LLNL *:_:*
+IC8KETDC ! *:_:* LLNL *:_:*
+IC8KETDD ! *:_:* LLNL *:_:*
+CC8H16OH-B ! *:_:* LLNL *:_:*
+BC8H16OH-C ! *:_:* LLNL *:_:*
+CC8H16OH-BO2 ! *:_:* LLNL *:_:*
+CC8H16O-BO2H ! *:_:* LLNL *:_:*
+CC8H16OH-D ! *:_:* LLNL *:_:*
+DC8H16OH-C ! *:_:* LLNL *:_:*
+BC8H16OH-CO2 ! *:_:* LLNL *:_:*
+BC8H16O-CO2H ! *:_:* LLNL *:_:*
+CC8H16OH-DO2 ! *:_:* LLNL *:_:*
+CC8H16O-DO2H ! *:_:* LLNL *:_:*
+DC8H16OH-CO2 ! *:_:* LLNL *:_:*
+DC8H16O-CO2H ! *:_:* LLNL *:_:*
+IC6H13CHO-B ! *:_:* LLNL *:_:*
+IC6H13CO-B ! *:_:* LLNL *:_:*
+AC6H12CHO-B ! *:_:* LLNL *:_:*
+CC6H12CHO-B ! *:_:* LLNL *:_:*
+DC6H12CHO-B ! *:_:* LLNL *:_:*
+EC6H12CHO-B ! *:_:* LLNL *:_:*
+IC6H13CHO-D ! *:_:* LLNL *:_:*
+IC6H13CO-D ! *:_:* LLNL *:_:*
+AC6H12CHO-D ! *:_:* LLNL *:_:*
+BC6H12CHO-D ! *:_:* LLNL *:_:*
+CC6H12CHO-D ! *:_:* LLNL *:_:*
+DC6H12CHO-D ! *:_:* LLNL *:_:*
+EC6H12CHO-D ! *:_:* LLNL *:_:*
+IC3H7COC3H7-I ! *:_:* LLNL *:_:*
+IC3H7COC3H6-I ! *:_:* LLNL *:_:*
+IC3H7COC3H6-T ! *:_:* LLNL *:_:*
+TC4H9COC2H5 ! *:_:* LLNL *:_:*
+TC4H8COC2H5 ! *:_:* LLNL *:_:*
+TC4H9COC2H4S ! *:_:* LLNL *:_:*
+TC4H9COC2H4P ! *:_:* LLNL *:_:*
+NEOC5H11COCH3 ! *:_:* LLNL *:_:*
+NEOC5H10COCH3 ! *:_:* LLNL *:_:*
+TC4H9CHCOCH3 ! *:_:* LLNL *:_:*
+NEOC5H11COCH2 ! *:_:* LLNL *:_:*
+NEOC6H13CHO ! *:_:* LLNL *:_:*
+NEOC6H13CO ! *:_:* LLNL *:_:*
+FC6H12CHO ! *:_:* LLNL *:_:*
+GC6H12CHO ! *:_:* LLNL *:_:*
+HC6H12CHO ! *:_:* LLNL *:_:*
+IC4H7COCH3 ! *:_:* LLNL *:_:*
+IC4H7COCH2 ! *:_:* LLNL *:_:*
+IC3H5CHCOCH3 ! *:_:* LLNL *:_:*
+AC3H4CH2COCH3 ! *:_:* LLNL *:_:*
+XC7H13OOH-X1 ! *:_:* LLNL *:_:*
+XC7H13O-X1 ! *:_:* LLNL *:_:*
+YC7H13OOH-X1 ! *:_:* LLNL *:_:*
+YC7H13O-X1 ! *:_:* LLNL *:_:*
+OC7H13OOH-N ! *:_:* LLNL *:_:*
+OC7H13O-N ! *:_:* LLNL *:_:*
+XC7H13OOH-Z ! *:_:* LLNL *:_:*
+PC7H13OOH-O ! *:_:* LLNL *:_:*
+OC7H13OOH-Q ! *:_:* LLNL *:_:*
+OC7H13O-Q ! *:_:* LLNL *:_:*
+XC7H13OOH-Y2 ! *:_:* LLNL *:_:*
+XC7H13O-Y2 ! *:_:* LLNL *:_:*
+YC7H13OOH-X2 ! *:_:* LLNL *:_:*
+YC7H13O-X2 ! *:_:* LLNL *:_:*
+CC6H11-D ! *:_:* LLNL *:_:*
+DC6H11-D ! *:_:* LLNL *:_:*
+IC3H6CHCOCH3 ! *:_:* LLNL *:_:*
+AC3H5CHCOCH3 ! *:_:* LLNL *:_:*
+IC3H6CHCOCH2 ! *:_:* LLNL *:_:*
+C6H5C2H ! *:_:* LLNL *:_:*
+C4H2 ! *:_:* LLNL *:_:*
+NC4H3 ! *:_:* LLNL *:_:*
+C7H6 ! *:_:* LLNL *:_:*
+C6H5CH3 ! *:_:* LLNL *:_:*
+C6H5CH2J ! *:_:* LLNL *:_:*
+OC6H4CH3 ! *:_:* LLNL *:_:*
+HOC6H4CH3 ! *:_:* LLNL *:_:*
+OC6H4O ! *:_:* LLNL *:_:*
+HOC6H4CH2 ! *:_:* LLNL *:_:*
+HOC6H4CH2OO ! *:_:* LLNL *:_:*
+HOC6H4CH2O ! *:_:* LLNL *:_:*
+RODC6JDO ! *:_:* LLNL *:_:*
+OXCCXCCJXO ! *:_:* LLNL *:_:*
+BICPD ! *:_:* LLNL *:_:*
+C6JYOO ! *:_:* LLNL *:_:*
+CY13PD ! *:_:* LLNL *:_:*
+C6H5OH ! *:_:* LLNL *:_:*
+STYR ! *:_:* LLNL *:_:*
+DICYPD ! *:_:* LLNL *:_:*
+CYC5H9 ! *:_:* LLNL *:_:*
+BICPDJ ! *:_:* LLNL *:_:*
+CXCC(C#C)XC ! *:_:* LLNL *:_:*
+CYPDONE ! *:_:* LLNL *:_:*
+HCOCJXO ! *:_:* LLNL *:_:*
+CYC5H5OJ ! *:_:* LLNL *:_:*
+CYC5H5OH ! *:_:* LLNL *:_:*
+CYC5H4OH ! *:_:* LLNL *:_:*
+CPDJONE ! *:_:* LLNL *:_:*
+CXCCXCXO ! *:_:* LLNL *:_:*
+CJXCCXCXO ! *:_:* LLNL *:_:*
+CXCCCJXO ! *:_:* LLNL *:_:*
+CXCCCO2J ! *:_:* LLNL *:_:*
+OXCCXCCXO ! *:_:* LLNL *:_:*
+OXCCXCCJCXO ! *:_:* LLNL *:_:*
+CXOCXCCJ ! *:_:* LLNL *:_:*
+C4H4 ! *:_:* LLNL *:_:*
+NC4H5 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ ! *:_:* LLNL *:_:*
+C6H5CH2OOH ! *:_:* LLNL *:_:*
+C6H5CH2OJ ! *:_:* LLNL *:_:*
+C6H5CH2OH ! *:_:* LLNL *:_:*
+C6H5CHOH ! *:_:* LLNL *:_:*
+C6H5CHO ! *:_:* LLNL *:_:*
+HOC6H4CH2OOH ! *:_:* LLNL *:_:*
+HOC6H4CHO ! *:_:* LLNL *:_:*
+HOC6H4CO ! *:_:* LLNL *:_:*
+C6H4OH ! *:_:* LLNL *:_:*
+C6H5O2 ! *:_:* LLNL *:_:*
+C6H6 ! *:_:* LLNL *:_:*
+CY13PD5J ! *:_:* LLNL *:_:*
+C6H5OJ ! *:_:* LLNL *:_:*
+FULVENE ! *:_:* LLNL *:_:*
+CYC5H8 ! *:_:* LLNL *:_:*
+CH2CY24PD ! *:_:* LLNL *:_:*
+CYC6H7 ! *:_:* LLNL *:_:*
+CXCCXCCJ ! *:_:* LLNL *:_:*
+LINC6H7 ! *:_:* LLNL *:_:*
+CXCCXCC ! *:_:* LLNL *:_:*
+CH3CY24PD ! *:_:* LLNL *:_:*
+CYC5H7U1 ! *:_:* LLNL *:_:*
+CXCCJCXC ! *:_:* LLNL *:_:*
+OXCJCXCCXC ! *:_:* LLNL *:_:*
+CJXCCXO ! *:_:* LLNL *:_:*
+HCOHCO ! *:_:* LLNL *:_:*
+CPDOOH ! *:_:* LLNL *:_:*
+OXCCXCCXCJ ! *:_:* LLNL *:_:*
+CXOCCCJCXO ! *:_:* LLNL *:_:*
+CXOCCCJXO ! *:_:* LLNL *:_:*
+CXOCCCXO ! *:_:* LLNL *:_:*
+C14H14 ! *:_:* LLNL *:_:*
+C14H13 ! *:_:* LLNL *:_:*
+STYLBEN ! *:_:* LLNL *:_:*
+XYLENE ! *:_:* LLNL *:_:*
+IND ! *:_:* LLNL *:_:*
+NAPH ! *:_:* LLNL *:_:*
+CXOCCXO ! *:_:* LLNL *:_:*
+CPDCXC ! *:_:* LLNL *:_:*
+DHCO2J ! *:_:* LLNL *:_:*
+FULVENYL ! *:_:* LLNL *:_:*
+C6H5 ! *:_:* LLNL *:_:*
+CPDJCH3 ! *:_:* LLNL *:_:*
+C6H4CH3 ! *:_:* LLNL *:_:*
+C6H5CJO ! *:_:* LLNL *:_:*
+YOC6JDO ! *:_:* LLNL *:_:*
+CXOCJCXO ! *:_:* LLNL *:_:*
+C6H5C2H5 ! *:_:* LLNL *:_:*
+C12H10 ! *:_:* LLNL *:_:*
+PHCCHPH ! *:_:* LLNL *:_:*
+O2C6H4CH3 ! *:_:* LLNL *:_:*
+RODC6J(C)DO ! *:_:* LLNL *:_:*
+OCCXCCXCJC ! *:_:* LLNL *:_:*
+C6H4 ! *:_:* LLNL *:_:*
+CJCXCC#C ! *:_:* LLNL *:_:*
+CXCCXCCOH ! *:_:* LLNL *:_:*
+OC6H4CH2 ! *:_:* LLNL *:_:*
+CR1 ! *:_:* LLNL *:_:*
+CR2 ! *:_:* LLNL *:_:*
+CR3 ! *:_:* LLNL *:_:*
+CR4 ! *:_:* LLNL *:_:*
+CR5 ! *:_:* LLNL *:_:*
+C10H10 ! *:_:* LLNL *:_:*
+C10H9 ! *:_:* LLNL *:_:*
+C14H13OO ! *:_:* LLNL *:_:*
+C6H5C2H2 ! *:_:* LLNL *:_:*
+PHENA ! *:_:* LLNL *:_:*
+C6H5C2H4P ! *:_:* LLNL *:_:*
+C6H5C2H4S ! *:_:* LLNL *:_:*
+C6H5CH2CH2OO ! *:_:* AA *:_:*
+C6H5CHOOCH3 ! *:_:* AA *:_:*
+C3H2(S) ! *:_:* AA *:_:*
+O-C6H4 ! *:_:* AA *:_:*
+C14H12OOH ! *:_:* AA *:_:*
+C14H13O ! *:_:* AA *:_:*
+C14H13OOH ! *:_:* AA *:_:*
+C14H12O2H-1O2 ! *:_:* AA *:_:*
+C14H11O-1O2H ! *:_:* AA *:_:*
+C6H5CCH2 ! *:_:* AA *:_:*
+NAPH- ! *:_:* AA *:_:*
+NAPH* ! *:_:* AA *:_:*
+NAPHO ! *:_:* AA *:_:*
+C9H7 ! *:_:* AA *:_:*
+C9H6O ! *:_:* AA *:_:*
+BIN1A ! *:_:* AA *:_:*
+FLUORENE ! *:_:* AA *:_:*
+C14H10 ! *:_:* AA *:_:*
+C16H10 ! *:_:* AA *:_:*
+C6H4C2H3 ! *:_:* AA *:_:*
+C6H5CHCO ! *:_:* AA *:_:*
+C6H5C4H9 ! *:_:* AA *:_:*
+C6H5C4H7-2 ! *:_:* AA *:_:*
+C6H5C4H7-3 ! *:_:* AA *:_:*
+C6H5C4H7-1 ! *:_:* AA *:_:*
+C6H5CH2HCO ! *:_:* AA *:_:*
+C6H5CH2CO ! *:_:* AA *:_:*
+C6H5COC2H4 ! *:_:* AA *:_:*
+C6H5COC2H3 ! *:_:* AA *:_:*
+C6H5CH2COCH2O2H ! *:_:* AA *:_:*
+C6H5COCH2CH2O2 ! *:_:* AA *:_:*
+C6H5COCH2CH2O ! *:_:* AA *:_:*
+C6H5CH2CHCO ! *:_:* AA *:_:*
+C6H5COCH2 ! *:_:* AA *:_:*
+C6H5CH2COCH2O2 ! *:_:* AA *:_:*
+C6H5CH2COCH2 ! *:_:* AA *:_:*
+C6H5CH2COCH2O ! *:_:* AA *:_:*
+C6H5CCO ! *:_:* AA *:_:*
+C6H5COCH2CH2O2H ! *:_:* AA *:_:*
+OH* ! *:_:* AA *:_:*
+N2 ! *:_:* AA *:_:*
+HCOH ! *:_:* AA *:_:*
+CH* ! *:_:* AA *:_:*
+C2H3OH ! *:_:* AA *:_:*
+C2H2OH ! *:_:* AA *:_:*
+O2CH2CHO ! *:_:* AA *:_:*
+HO2CH2CO ! *:_:* AA *:_:*
+CC3H4 ! *:_:* AA *:_:*
+H2CC ! *:_:* AA *:_:*
+C4H3-I ! *:_:* AA *:_:*
+C4H6O25 ! *:_:* AA *:_:*
+C2H3CHOCH2 ! *:_:* AA *:_:*
+C4H5-2 ! *:_:* AA *:_:*
+C4H6-2 ! *:_:* AA *:_:*
+C4H6O23 ! *:_:* AA *:_:*
+C4H4O ! *:_:* AA *:_:*
+H2C4O ! *:_:* AA *:_:*
+C6H2 ! *:_:* AA *:_:*
+C6H3 ! *:_:* AA *:_:*
+L-C6H4 ! *:_:* AA *:_:*
+C-C6H4 ! *:_:* AA *:_:*
+O-C6H4O2 ! *:_:* AA *:_:*
+P-C6H3O2 ! *:_:* AA *:_:*
+C6H5OOH ! *:_:* AA *:_:*
+OC6H4OH ! *:_:* AA *:_:*
+P-OC6H5OJ ! *:_:* AA *:_:*
+C5H6-L ! *:_:* AA *:_:*
+C*CCJC*COH ! *:_:* AA *:_:*
+HOCO ! *:_:* AA *:_:*
+HOC*CC*O ! *:_:* AA *:_:*
+HOC*CCJ*O ! *:_:* AA *:_:*
+PBZ ! *:_:* AA *:_:*
+PBZJA ! *:_:* AA *:_:*
+PBZJB ! *:_:* AA *:_:*
+PBZJC ! *:_:* AA *:_:*
+C6H5C3H4 ! *:_:* AA *:_:*
+C6H5C2H4HCO ! *:_:* AA *:_:*
+C6H5C2H4CO ! *:_:* AA *:_:*
+C6H5C2H2HCO ! *:_:* AA *:_:*
+BC6H5C3H5OHA ! *:_:* AA *:_:*
+AC6H5C3H5OHB ! *:_:* AA *:_:*
+CC6H5C3H5OHB ! *:_:* AA *:_:*
+BC6H5C3H5OHC ! *:_:* AA *:_:*
+PBZOHAQJB ! *:_:* AA *:_:*
+PBZOHBQJA ! *:_:* AA *:_:*
+PBZOHBQJC ! *:_:* AA *:_:*
+PBZOHCQJB ! *:_:* AA *:_:*
+COC6H5C3H4-1 ! *:_:* AA *:_:*
+AOC6H5C3H4-2 ! *:_:* AA *:_:*
+CH3C6H4C2H3 ! *:_:* AA *:_:*
+PBZAOO ! *:_:* AA *:_:*
+PBZBOO ! *:_:* AA *:_:*
+PBZCOO ! *:_:* AA *:_:*
+CYCLO4 ! *:_:* AA *:_:*
+CYC3AB ! *:_:* AA *:_:*
+CYC3CB ! *:_:* AA *:_:*
+PBOOHA-B ! *:_:* AA *:_:*
+PBOOHAOOB ! *:_:* AA *:_:*
+PBKETAB ! *:_:* AA *:_:*
+PBOOHA-C ! *:_:* AA *:_:*
+PBOOHAOOC ! *:_:* AA *:_:*
+PBKETAC ! *:_:* AA *:_:*
+PBOOHB-A ! *:_:* AA *:_:*
+PBOOHBOOA ! *:_:* AA *:_:*
+PBKETBA ! *:_:* AA *:_:*
+PBOOHB-C ! *:_:* AA *:_:*
+PBOOHBOOC ! *:_:* AA *:_:*
+PBKETBC ! *:_:* AA *:_:*
+PBOOHC-A ! *:_:* AA *:_:*
+PBOOHCOOA ! *:_:* AA *:_:*
+PBKETCA ! *:_:* AA *:_:*
+PBOOHC-B ! *:_:* AA *:_:*
+PBOOHCOOB ! *:_:* AA *:_:*
+PBKETCB ! *:_:* AA *:_:*
+PBOJ ! *:_:* AA *:_:*
+PBO ! *:_:* AA *:_:*
+PBENOOH ! *:_:* AA *:_:*
+AC6H5C4H8 ! *:_:* AA *:_:*
+BC6H5C4H8 ! *:_:* AA *:_:*
+CC6H5C4H8 ! *:_:* AA *:_:*
+DC6H5C4H8 ! *:_:* AA *:_:*
+BC6H5C4H6-3 ! *:_:* AA *:_:*
+CC6H5C4H6-1 ! *:_:* AA *:_:*
+DC6H5C4H6-1 ! *:_:* AA *:_:*
+C6H5C4H5 ! *:_:* AA *:_:*
+C6H5C4H8OJA ! *:_:* AA *:_:*
+C6H5C4H8OJB ! *:_:* AA *:_:*
+C6H5C4H8OJC ! *:_:* AA *:_:*
+C6H5C4H8OJD ! *:_:* AA *:_:*
+C6H5C4H8QJA ! *:_:* AA *:_:*
+C6H5C4H8QJB ! *:_:* AA *:_:*
+C6H5C4H8QJC ! *:_:* AA *:_:*
+C6H5C4H8QJD ! *:_:* AA *:_:*
+BBZQA ! *:_:* AA *:_:*
+BBZQB ! *:_:* AA *:_:*
+BBZQC ! *:_:* AA *:_:*
+BBZQD ! *:_:* AA *:_:*
+BBZQDRC ! *:_:* AA *:_:*
+BBZQDRB ! *:_:* AA *:_:*
+BBZQDRA ! *:_:* AA *:_:*
+BBZQCRD ! *:_:* AA *:_:*
+BBZQCRB ! *:_:* AA *:_:*
+BBZQCRA ! *:_:* AA *:_:*
+BBZQBRD ! *:_:* AA *:_:*
+BBZQBRC ! *:_:* AA *:_:*
+BBZQBRA ! *:_:* AA *:_:*
+BBZQARD ! *:_:* AA *:_:*
+BBZQARC ! *:_:* AA *:_:*
+BBZQARB ! *:_:* AA *:_:*
+BBZQDQJC ! *:_:* AA *:_:*
+BBZQDQJB ! *:_:* AA *:_:*
+BBZQDQJA ! *:_:* AA *:_:*
+BBZQCQJD ! *:_:* AA *:_:*
+BBZQCQJB ! *:_:* AA *:_:*
+BBZQCQJA ! *:_:* AA *:_:*
+BBZQBQJD ! *:_:* AA *:_:*
+BBZQBQJC ! *:_:* AA *:_:*
+BBZQBQJA ! *:_:* AA *:_:*
+BBZQAQJD ! *:_:* AA *:_:*
+BBZQAQJC ! *:_:* AA *:_:*
+BBZQAQJB ! *:_:* AA *:_:*
+BBZOCQD ! *:_:* AA *:_:*
+BBZOBQD ! *:_:* AA *:_:*
+BBZOAQD ! *:_:* AA *:_:*
+BBZODQC ! *:_:* AA *:_:*
+BBZOBQC ! *:_:* AA *:_:*
+BBZOAQC ! *:_:* AA *:_:*
+BBZODQB ! *:_:* AA *:_:*
+BBZOCQB ! *:_:* AA *:_:*
+BBZOAQB ! *:_:* AA *:_:*
+BBZODQA ! *:_:* AA *:_:*
+BBZOCQA ! *:_:* AA *:_:*
+BBZOBQA ! *:_:* AA *:_:*
+BBZOHDRC ! *:_:* AA *:_:*
+BBZOHCRD ! *:_:* AA *:_:*
+BBZOHCRB ! *:_:* AA *:_:*
+BBZOHBRC ! *:_:* AA *:_:*
+BBZOHARB ! *:_:* AA *:_:*
+BBZOHBRA ! *:_:* AA *:_:*
+BBZOHDQJC ! *:_:* AA *:_:*
+BBZOHCQJD ! *:_:* AA *:_:*
+BBZOHCQJB ! *:_:* AA *:_:*
+BBZOHBQJC ! *:_:* AA *:_:*
+BBZOHAQJB ! *:_:* AA *:_:*
+BBZOHBQJA ! *:_:* AA *:_:*
+BBZE3OJB ! *:_:* AA *:_:*
+BBZE1OJC ! *:_:* AA *:_:*
+BBZE1OJD ! *:_:* AA *:_:*
+C6H5C4H7O-AB ! *:_:* AA *:_:*
+C6H5C4H7O-AC ! *:_:* AA *:_:*
+C6H5C4H7O-AD ! *:_:* AA *:_:*
+C6H5C4H7O-BC ! *:_:* AA *:_:*
+C6H5C4H7O-BD ! *:_:* AA *:_:*
+C6H5C4H7O-CD ! *:_:* AA *:_:*
+C6H4C2H ! *:_:* AA *:_:*
+A1C2HAC ! *:_:* AA *:_:*
+A2-X ! *:_:* AA *:_:*
+A2O ! *:_:* AA *:_:*
+A1C2H3AC ! *:_:* AA *:_:*
+INDENYL ! *:_:* AA *:_:*
+INDENOXY ! *:_:* AA *:_:*
+END
+REACTIONS
+H+O2=O+OH +3.547E+15 -0.406 +16600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.027E+13 -0.015 -1.330E+02 /
+O+H2=H+OH +5.080E+04 +2.670 +6292.0 ! *:_:* LLNL *:_:*
+ REV/ 2.637E+04 2.651 4.880E+03 /
+OH+H2=H+H2O +2.160E+08 +1.510 +3430.0 ! *:_:* LLNL *:_:*
+ REV/ 2.290E+09 1.404 1.832E+04 /
+O+H2O=2OH +2.970E+06 +2.020 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.454E+05 2.107 -2.904E+03 /
+H2+M=2H+M +4.577E+19 -1.400 +104400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.145E+20 -1.676 8.200E+02 /
+ H2/2.5/ H2O/12/ CO/1.9/ CO2/3.8/
+O2+M=2O+M +4.420E+17 -0.634 +118900.0 ! *:_:* LLNL *:_:*
+ REV/ 6.165E+15 -0.500 0.000E+00 /
+ H2/2.5/ H2O/12/ AR/.83/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ HE/.83/
+OH+M=O+H+M +9.780E+17 -0.743 +102100.0 ! *:_:* LLNL *:_:*
+ REV/ 4.714E+18 -1.000 0.000E+00 /
+ H2/2.5/ H2O/12/ AR/.75/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.75/
+H2O+M=H+OH+M +1.907E+23 -1.830 +118500.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+22 -2.000 0.000E+00 /
+ H2/.73/ H2O/12/ AR/.38/ CH4/2/ C2H6/3/ HE/.38/
+H+O2(+M)=HO2(+M) +1.475E+12 +0.600 +0.0 ! *:_:* LLNL *:_:*
+ LOW / 3.4820E+16 -4.1100E-01 -1.1150E+03 /
+ TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+10 /
+ H2/1.3/ H2O/14/ AR/.67/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ HE/.67/
+HO2+H=H2+O2 +1.660E+13 +0.000 +823.0 ! *:_:* LLNL *:_:*
+ REV/ 3.166E+12 0.348 5.551E+04 /
+HO2+H=2OH +7.079E+13 +0.000 +295.0 ! *:_:* LLNL *:_:*
+ REV/ 2.028E+10 0.720 3.684E+04 /
+HO2+O=OH+O2 +3.250E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.217E+12 0.329 5.328E+04 /
+HO2+OH=H2O+O2 +1.973E+10 +0.962 -328.4 ! *:_:* LLNL *:_:*
+ REV/ 3.989E+10 1.204 6.925E+04 /
+H2O2+O2=2HO2 +1.136E+16 -0.347 +49730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.030E+14 0.000 1.104E+04 /
+ DUP
+H2O2+O2=2HO2 +2.141E+13 -0.347 +37280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.940E+11 0.000 -1.409E+03 /
+ DUP
+H2O2(+M)=2OH(+M) +2.951E+14 +0.000 +48430.0 ! *:_:* LLNL *:_:*
+ LOW / 1.2020E+17 0.0000E+00 4.5500E+04 /
+ TROE / 5.0000E-01 1.0000E-30 1.0000E+30 1.0000E+10 /
+ H2/2.5/ H2O/12/ AR/.64/ CO/1.9/ CO2/3.8/ CH4/2/ C2H6/3/ HE/.64/
+H2O2+H=H2O+OH +2.410E+13 +0.000 +3970.0 ! *:_:* LLNL *:_:*
+ REV/ 1.265E+08 1.310 7.141E+04 /
+H2O2+H=H2+HO2 +2.150E+10 +1.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.716E+07 1.695 2.200E+04 /
+H2O2+O=OH+HO2 +9.550E+06 +2.000 +3970.0 ! *:_:* LLNL *:_:*
+ REV/ 8.568E+03 2.676 1.856E+04 /
+H2O2+OH=H2O+HO2 +2.000E+12 +0.000 +427.2 ! *:_:* LLNL *:_:*
+ REV/ 3.665E+10 0.589 3.132E+04 /
+ DUP
+H2O2+OH=H2O+HO2 +1.700E+18 +0.000 +29410.0 ! *:_:* LLNL *:_:*
+ REV/ 3.115E+16 0.589 6.030E+04 /
+ DUP
+CO+O(+M)=CO2(+M) +1.800E+10 +0.000 +2384.0 ! *:_:* LLNL *:_:*
+ LOW / 1.3500E+24 -2.7880E+00 4.1910E+03 /
+ H2/2/ O2/6/ H2O/6/ AR/.5/ CO/1.5/ CO2/3.5/ CH4/2/ C2H6/3/ HE/.5/
+CO+O2=CO2+O +1.050E+12 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 8.035E+15 -0.800 5.123E+04 /
+CO+OH=CO2+H +2.230E+05 +1.890 -1158.0 ! *:_:* LLNL *:_:*
+ REV/ 5.896E+11 0.699 2.426E+04 /
+CO+HO2=CO2+OH +3.010E+13 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.280E+16 -0.470 8.497E+04 /
+HCO+M=H+CO+M +4.750E+11 +0.660 +14870.0 ! *:_:* LLNL *:_:*
+ REV/ 3.582E+10 1.041 -4.573E+02 /
+ H2/2/ H2O/12/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/
+HCO+O2=CO+HO2 +7.580E+12 +0.000 +410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.198E+12 0.309 3.395E+04 /
+HCO+H=CO+H2 +7.340E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.212E+12 0.656 8.823E+04 /
+HCO+O=CO+OH +3.020E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.725E+11 0.638 8.682E+04 /
+HCO+O=CO2+H +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.241E+18 -0.553 1.122E+05 /
+HCO+OH=CO+H2O +1.020E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.259E+13 0.551 1.031E+05 /
+HCO+CH3=CH4+CO +2.650E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.286E+14 0.211 8.977E+04 /
+HCO+HO2=CH2O+O2 +2.499E+14 -0.061 +13920.0 ! *:_:* LLNL *:_:*
+ REV/ 8.070E+15 0.000 5.342E+04 /
+HCO+HO2=CO2+H+OH +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O2CHO=HCO+O2 +9.959E+15 -1.126 +41000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+11 0.000 -1.100E+03 /
+CH2O+O2CHO=HCO+HO2CHO +1.990E+12 +0.000 +11660.0 ! *:_:* LLNL *:_:*
+ REV/ 3.908E+14 -0.909 1.181E+04 /
+HO2CHO=OCHO+OH +5.010E+14 +0.000 +40150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.0E13 0.0 0.0 /
+OCHO+M=H+CO2+M +5.318E+14 -0.353 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+13 0.000 2.900E+04 /
+CH2O+CO=2HCO +9.186E+13 +0.370 +73040.0 ! *:_:* LLNL *:_:*
+ REV/ 1.800E+13 0.000 0.000E+00 /
+2HCO=H2+2CO +3.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HCO+H(+M)=CH2O(+M) +1.090E+12 +0.480 -260.0 ! *:_:* LLNL *:_:*
+ LOW / 1.3500E+24 -2.5700E+00 1.4250E+03 /
+ TROE / 7.8240E-01 2.7100E+02 2.7550E+03 6.5700E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+CO+H2(+M)=CH2O(+M) +4.300E+07 +1.500 +79600.0 ! *:_:* LLNL *:_:*
+ LOW / 5.0700E+27 -3.4200E+00 8.4348E+04 /
+ TROE / 9.3200E-01 1.9700E+02 1.5400E+03 1.0300E+04 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+CH2O+OH=HCO+H2O +7.820E+07 +1.630 -1055.0 ! *:_:* LLNL *:_:*
+ REV/ 4.896E+06 1.811 2.903E+04 /
+CH2O+H=HCO+H2 +5.740E+07 +1.900 +2740.0 ! *:_:* LLNL *:_:*
+ REV/ 3.390E+05 2.187 1.793E+04 /
+CH2O+O=HCO+OH +6.260E+09 +1.150 +2260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.919E+07 1.418 1.604E+04 /
+CH2O+CH3=HCO+CH4 +3.830E+01 +3.360 +4312.0 ! *:_:* LLNL *:_:*
+ REV/ 2.063E+02 3.201 2.104E+04 /
+CH2O+HO2=HCO+H2O2 +7.100E-03 +4.517 +6580.0 ! *:_:* LLNL *:_:*
+ REV/ 2.426E-02 4.108 5.769E+03 /
+HOCH2O=CH2O+OH +2.056E+21 -2.336 +25730.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -1.100 0.000E+00 /
+HOCH2O=HOCHO+H +1.000E+14 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.123E+15 -0.295 1.150E+04 /
+HOCHO=CO+H2O +2.450E+12 +0.000 +60470.0 ! *:_:* LLNL *:_:*
+ REV/ 2.255E+03 2.093 5.289E+04 /
+HOCHO=CO2+H2 +2.950E+09 +0.000 +48520.0 ! *:_:* LLNL *:_:*
+ REV/ 6.772E+05 1.008 5.147E+04 /
+HOCHO=HCO+OH +3.471E+22 -1.542 +110700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+HOCHO+O2=OCHO+HO2 +4.101E+12 -0.308 +59880.0 ! *:_:* LLNL *:_:*
+ REV/ 3.500E+10 0.000 -3.275E+03 /
+HOCHO+OH=H2O+CO2+H +2.620E+06 +2.060 +916.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HOCHO+OH=H2O+CO+OH +1.850E+07 +1.510 -962.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HOCHO+H=>H2+CO2+H +4.240E+06 +2.100 +4868.0 ! *:_:* LLNL *:_:*
+HOCHO+H=H2+CO+OH +6.030E+13 -0.350 +2988.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HOCHO+CH3=CH4+CO+OH +3.900E-07 +5.800 +2200.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HOCHO+HO2=OCHO+H2O2 +2.549E+12 +0.040 +34470.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+HOCHO+HO2=>H2O2+CO+OH +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+HOCHO+O=>CO+2OH +1.770E+18 -1.900 +2975.0 ! *:_:* LLNL *:_:*
+HOCHO+HCO=CH2O+OCHO +8.584E+11 +0.040 +26750.0 ! *:_:* LLNL *:_:*
+ REV/ 5.600E+12 0.000 1.360E+04 /
+CH3O(+M)=CH2O+H(+M) +6.800E+13 +0.000 +26170.0 ! *:_:* LLNL *:_:*
+ LOW / 1.8670E+25 -3.0000E+00 2.4307E+04 /
+ TROE / 9.0000E-01 2.5000E+03 1.3000E+03 1.0000E+99 /
+ H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/
+CH3O+O2=CH2O+HO2 +4.380E-19 +9.500 -5501.0 ! *:_:* LLNL *:_:*
+ REV/ 1.416E-20 9.816 2.108E+04 /
+CH2O+CH3O=CH3OH+HCO +6.620E+11 +0.000 +2294.0 ! *:_:* LLNL *:_:*
+ REV/ 8.393E+10 0.074 1.771E+04 /
+CH4+CH3O=CH3+CH3OH +6.119E+02 +2.867 +8248.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+01 3.100 6.935E+03 /
+CH3O+CH3=CH2O+CH4 +1.200E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.749E+13 0.218 8.281E+04 /
+CH3O+H=CH2O+H2 +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.233E+11 0.664 8.127E+04 /
+CH3O+HO2=CH2O+H2O2 +3.010E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.074E+12 -0.031 6.527E+04 /
+CH2O+H(+M)=CH2OH(+M) +5.400E+11 +0.454 +3600.0 ! *:_:* LLNL *:_:*
+ LOW / 1.2700E+32 -4.8200E+00 6.5300E+03 /
+ TROE / 7.1870E-01 1.0300E+02 1.2910E+03 4.1600E+03 /
+ H2/2/ H2O/6/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/
+CH2OH+O2=CH2O+HO2 +1.510E+15 -1.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.975E+14 -0.580 2.006E+04 /
+ DUP
+CH2OH+O2=CH2O+HO2 +2.410E+14 +0.000 +5017.0 ! *:_:* LLNL *:_:*
+ REV/ 3.152E+13 0.420 2.508E+04 /
+ DUP
+CH2OH+H=CH2O+H2 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.497E+11 0.768 7.475E+04 /
+CH2OH+HO2=CH2O+H2O2 +1.200E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.732E+14 0.073 5.875E+04 /
+CH2OH+HCO=2CH2O +1.800E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.602E+14 0.481 5.956E+04 /
+CH2OH+CH3O=CH2O+CH3OH +2.400E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.285E+13 0.555 7.498E+04 /
+CH2OH+CH2O=CH3OH+HCO +1.878E+04 +2.722 +4208.0 ! *:_:* LLNL *:_:*
+ REV/ 9.630E+03 2.900 1.311E+04 /
+OH+CH2OH=H2O+CH2O +2.400E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.347E+12 0.662 8.964E+04 /
+O+CH2OH=OH+CH2O +4.200E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.438E+11 0.749 7.334E+04 /
+CH2O+CH3OH=2CH2OH +6.498E+12 +0.659 +68460.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+CH2OH+HO2=HOCH2O+OH +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.169E+13 -0.024 3.347E+04 /
+OCH2O2H=CH2O+HO2 +1.278E+18 -1.800 +10460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.190E+04 /
+OCH2O2H=HOCH2O2 +3.000E+11 +0.000 +8600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.241E+08 0.950 2.620E+04 /
+HOCH2O2+HO2=HOCH2O2H+O2 +3.500E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 1.046E+14 -0.840 3.487E+04 /
+HOCH2O2H=HOCH2O+OH +1.023E+21 -1.920 +42490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+CH3OH(+M)=CH3+OH(+M) +1.900E+16 +0.000 +91730.0 ! *:_:* LLNL *:_:*
+ LOW / 2.9500E+44 -7.3500E+00 9.5460E+04 /
+ TROE / 4.1400E-01 2.7900E+02 5.4590E+03 1.0000E+10 /
+CH3OH(+M)=CH2OH+H(+M) +2.690E+16 -0.080 +98940.0 ! *:_:* LLNL *:_:*
+ LOW / 2.3400E+40 -6.3300E+00 1.0310E+05 /
+ TROE / 7.7300E-01 6.9300E+02 5.3330E+03 1.0000E+10 /
+CH3OH+H=CH3O+H2 +3.600E+12 +0.000 +6095.0 ! *:_:* LLNL *:_:*
+ REV/ 1.677E+11 0.212 5.868E+03 /
+CH3OH+H=CH2OH+H2 +1.204E+06 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 1.386E+04 2.509 8.871E+03 /
+CH3OH+O=CH2OH+OH +3.880E+05 +2.500 +3080.0 ! *:_:* LLNL *:_:*
+ REV/ 2.319E+03 2.590 7.956E+03 /
+CH3OH+OH=CH3O+H2O +5.130E+05 +2.130 +2450.0 ! *:_:* LLNL *:_:*
+ REV/ 2.534E+05 2.237 1.712E+04 /
+CH3OH+OH=CH2OH+H2O +1.440E+06 +2.000 -839.0 ! *:_:* LLNL *:_:*
+ REV/ 1.758E+05 2.003 2.034E+04 /
+CH3OH+O2=CH2OH+HO2 +2.050E+13 +0.000 +44900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.238E+12 -0.239 -3.501E+03 /
+CH3OH+HO2=CH2OH+H2O2 +1.080E+04 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 7.195E+04 1.963 8.190E+02 /
+CH3OH+CH3=CH2OH+CH4 +3.190E+01 +3.170 +7172.0 ! *:_:* LLNL *:_:*
+ REV/ 3.351E+02 2.833 1.500E+04 /
+CH3O+CH3OH=CH2OH+CH3OH +3.000E+11 +0.000 +4074.0 ! *:_:* LLNL *:_:*
+ REV/ 7.416E+10 -0.104 1.059E+04 /
+CH3OH+CH2O=2CH3O +7.981E+12 +0.452 +81490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.030E+13 0.000 0.000E+00 /
+CH3+H(+M)=CH4(+M) +1.270E+16 -0.600 +383.0 ! *:_:* LLNL *:_:*
+ LOW / 2.4770E+33 -4.7600E+00 2.4440E+03 /
+ TROE / 7.8300E-01 7.4000E+01 2.9400E+03 6.9600E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+CH4+H=CH3+H2 +6.140E+05 +2.500 +9587.0 ! *:_:* LLNL *:_:*
+ REV/ 6.730E+02 2.946 8.047E+03 /
+CH4+OH=CH3+H2O +5.830E+04 +2.600 +2190.0 ! *:_:* LLNL *:_:*
+ REV/ 6.776E+02 2.940 1.554E+04 /
+CH4+O=CH3+OH +1.020E+09 +1.500 +8600.0 ! *:_:* LLNL *:_:*
+ REV/ 5.804E+05 1.927 5.648E+03 /
+CH4+HO2=CH3+H2O2 +1.130E+01 +3.740 +21010.0 ! *:_:* LLNL *:_:*
+ REV/ 7.166E+00 3.491 3.468E+03 /
+CH4+CH2=2CH3 +2.460E+06 +2.000 +8270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.736E+06 1.868 1.298E+04 /
+CH3+OH=CH2O+H2 +8.000E+09 +0.500 -1755.0 ! *:_:* LLNL *:_:*
+ REV/ 1.066E+12 0.322 6.821E+04 /
+CH3+OH=CH2(S)+H2O +4.508E+17 -1.340 +1417.0 ! *:_:* LLNL *:_:*
+ REV/ 1.654E+16 -0.855 1.039E+03 /
+CH3+OH=CH3O+H +6.943E+07 +1.343 +11200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+12 0.500 -1.100E+02 /
+CH3+OH=CH2OH+H +3.090E+07 +1.596 +4506.0 ! *:_:* LLNL *:_:*
+ REV/ 1.650E+11 0.650 -2.840E+02 /
+CH3+OH=CH2+H2O +5.600E+07 +1.600 +5420.0 ! *:_:* LLNL *:_:*
+ REV/ 9.224E+05 2.072 1.406E+04 /
+CH3+HO2=CH3O+OH +1.000E+12 +0.269 -687.5 ! *:_:* LLNL *:_:*
+ REV/ 6.190E+12 0.147 2.455E+04 /
+CH3+HO2=CH4+O2 +1.160E+05 +2.230 -3022.0 ! *:_:* LLNL *:_:*
+ REV/ 2.018E+07 2.132 5.321E+04 /
+CH3+O=CH2O+H +5.540E+13 +0.050 -136.0 ! *:_:* LLNL *:_:*
+ REV/ 3.830E+15 -0.147 6.841E+04 /
+CH3+O2=CH3O+O +7.546E+12 +0.000 +28320.0 ! *:_:* LLNL *:_:*
+ REV/ 4.718E+14 -0.451 2.880E+02 /
+CH3+O2=CH2O+OH +2.641E+00 +3.283 +8105.0 ! *:_:* LLNL *:_:*
+ REV/ 5.285E-01 3.477 5.992E+04 /
+CH3+O2(+M)=CH3O2(+M) +7.812E+09 +0.900 +0.0 ! *:_:* LLNL *:_:*
+ LOW / 6.8500E+24 -3.0000E+00 0.0000E+00 /
+ TROE / 6.0000E-01 1.0000E+03 7.0000E+01 1.7000E+03 /
+CH3O2+CH2O=CH3O2H+HCO +1.990E+12 +0.000 +11660.0 ! *:_:* LLNL *:_:*
+ REV/ 1.323E+14 -0.853 9.259E+03 /
+CH4+CH3O2=CH3+CH3O2H +1.810E+11 +0.000 +18480.0 ! *:_:* LLNL *:_:*
+ REV/ 2.233E+12 -0.694 -6.550E+02 /
+CH3OH+CH3O2=CH2OH+CH3O2H +1.810E+12 +0.000 +13710.0 ! *:_:* LLNL *:_:*
+ REV/ 2.346E+14 -1.031 2.404E+03 /
+CH3O2+CH3=2CH3O +5.080E+12 +0.000 -1411.0 ! *:_:* LLNL *:_:*
+ REV/ 1.967E+12 0.176 2.807E+04 /
+CH3O2+HO2=CH3O2H+O2 +2.470E+11 +0.000 -1570.0 ! *:_:* LLNL *:_:*
+ REV/ 5.302E+14 -0.792 3.552E+04 /
+2CH3O2=CH2O+CH3OH+O2 +3.110E+14 -1.610 -1051.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2CH3O2=O2+2CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3O2+H=CH3O+OH +9.600E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.720E+09 1.019 4.078E+04 /
+CH3O2+O=CH3O+O2 +3.600E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.229E+11 0.628 5.752E+04 /
+CH3O2+OH=CH3OH+O2 +6.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.536E+13 0.434 5.916E+04 /
+CH3O2H=CH3O+OH +6.310E+14 +0.000 +42300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.514E+06 1.883 -2.875E+03 /
+CH2(S)=CH2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.488E+12 -0.013 9.020E+03 /
+CH2(S)+CH4=2CH3 +1.600E+13 +0.000 -570.0 ! *:_:* LLNL *:_:*
+ REV/ 5.067E+12 -0.145 1.316E+04 /
+CH2(S)+O2=CO+OH+H +7.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2(S)+H2=CH3+H +7.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.022E+16 -0.591 1.527E+04 /
+CH2(S)+H=CH2+H +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.346E+13 -0.013 9.020E+03 /
+CH2(S)+H=CH+H2 +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.948E+13 -0.253 1.248E+04 /
+CH2(S)+O=CO+2H +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2(S)+OH=CH2O+H +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.154E+18 -0.770 8.523E+04 /
+CH2(S)+CO2=CH2O+CO +3.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.366E+10 0.421 5.981E+04 /
+CH2+H(+M)=CH3(+M) +2.500E+16 -0.800 +0.0 ! *:_:* LLNL *:_:*
+ LOW / 3.2000E+27 -3.1400E+00 1.2300E+03 /
+ TROE / 6.8000E-01 7.8000E+01 1.9950E+03 5.5900E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+CH2+O2=CH2O+O +2.400E+12 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.955E+14 -0.365 6.098E+04 /
+CH2+O2=CO2+2H +5.800E+12 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2+O2=CO+OH+H +5.000E+12 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2+O=CO+2H +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2+H=CH+H2 +1.000E+18 -1.560 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.160E+18 -1.800 3.460E+03 /
+ DUP
+CH2+OH=CH+H2O +1.130E+07 +2.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.183E+08 1.655 2.135E+04 /
+CH+O2=HCO+O +3.300E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.371E+12 0.161 7.121E+04 /
+C+OH=CO+H +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.356E+15 0.000 1.543E+05 /
+C+O2=CO+O +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.070E+14 0.000 1.382E+05 /
+CH+H=C+H2 +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.043E+14 0.000 2.382E+04 /
+CH+O=CO+H +5.700E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.774E+15 0.000 1.760E+05 /
+CH+OH=HCO+H +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.069E+14 0.000 8.811E+04 /
+CH2+H=CH+H2 +2.700E+11 +0.670 +25700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.897E+11 0.670 2.873E+04 /
+ DUP
+CH+H2O=H+CH2O +1.713E+13 +0.000 -755.0 ! *:_:* LLNL *:_:*
+ REV/ 8.372E+14 0.000 5.752E+04 /
+CH+CO2=HCO+CO +1.700E+12 +0.000 +685.0 ! *:_:* LLNL *:_:*
+ REV/ 2.565E+11 0.000 6.646E+04 /
+2CH3(+M)=C2H6(+M) +9.214E+16 -1.170 +635.8 ! *:_:* LLNL *:_:*
+ LOW / 1.1350E+36 -5.2460E+00 1.7050E+03 /
+ TROE / 4.0500E-01 1.1200E+03 6.9600E+01 1.0000E+10 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C2H5+H(+M)=C2H6(+M) +5.210E+17 -0.990 +1580.0 ! *:_:* LLNL *:_:*
+ LOW / 1.9900E+41 -7.0800E+00 6.6850E+03 /
+ TROE / 8.4200E-01 1.2500E+02 2.2190E+03 6.8820E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C2H6+H=C2H5+H2 +1.150E+08 +1.900 +7530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.062E+04 2.582 9.760E+03 /
+C2H6+O=C2H5+OH +3.550E+06 +2.400 +5830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.702E+02 3.063 6.648E+03 /
+C2H6+OH=C2H5+H2O +1.480E+07 +1.900 +950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.450E+04 2.476 1.807E+04 /
+C2H6+O2=C2H5+HO2 +6.030E+13 +0.000 +51870.0 ! *:_:* LLNL *:_:*
+ REV/ 2.921E+10 0.334 -5.930E+02 /
+C2H6+CH3=C2H5+CH4 +1.510E-07 +6.000 +6047.0 ! *:_:* LLNL *:_:*
+ REV/ 1.273E-08 6.236 9.817E+03 /
+C2H6+HO2=C2H5+H2O2 +3.460E+01 +3.610 +16920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.849E+00 3.597 3.151E+03 /
+C2H6+CH3O2=C2H5+CH3O2H +1.940E+01 +3.640 +17100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.017E+01 3.182 1.734E+03 /
+C2H6+CH3O=C2H5+CH3OH +2.410E+11 +0.000 +7090.0 ! *:_:* LLNL *:_:*
+ REV/ 4.779E+08 0.469 9.547E+03 /
+C2H6+CH=C2H5+CH2 +1.100E+14 +0.000 -260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.969E+09 0.921 -1.490E+03 /
+CH2(S)+C2H6=CH3+C2H5 +1.200E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.203E+12 0.091 1.750E+04 /
+C2H4+H(+M)=C2H5(+M) +1.081E+12 +0.454 +1822.0 ! *:_:* LLNL *:_:*
+ LOW / 1.2000E+42 -7.6200E+00 6.9700E+03 /
+ TROE / 9.7500E-01 2.1000E+02 9.8400E+02 4.3740E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+H2+CH3O2=H+CH3O2H +1.500E+14 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 1.688E+18 -1.140 8.434E+03 /
+H2+C2H5O2=H+C2H5O2H +1.500E+14 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 1.691E+18 -1.140 8.438E+03 /
+C2H5+C2H3=2C2H4 +6.859E+11 +0.110 -4300.0 ! *:_:* LLNL *:_:*
+ REV/ 4.820E+14 0.000 7.153E+04 /
+CH3+C2H5=CH4+C2H4 +1.180E+04 +2.450 -2921.0 ! *:_:* LLNL *:_:*
+ REV/ 2.390E+06 2.400 6.669E+04 /
+C2H5+H=2CH3 +9.690E+13 +0.000 +220.0 ! *:_:* LLNL *:_:*
+ REV/ 2.029E+09 1.028 1.051E+04 /
+C2H5+H=C2H4+H2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.440E+11 0.396 6.807E+04 /
+C2H5+O=CH3CHO+H +1.100E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.033E+17 -0.500 7.742E+04 /
+C2H5+HO2=C2H5O+OH +1.100E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.680E+15 -0.723 2.765E+04 /
+CH3O2+C2H5=CH3O+C2H5O +8.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.404E+14 -0.425 3.089E+04 /
+C2H5O+O2=CH3CHO+HO2 +4.280E+10 +0.000 +1097.0 ! *:_:* LLNL *:_:*
+ REV/ 1.322E+08 0.615 3.413E+04 /
+C2H5O=CH3+CH2O +1.321E+20 -2.018 +20750.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 6.336E+03 /
+C2H5O=CH3CHO+H +5.428E+15 -0.687 +22230.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+12 0.000 6.400E+03 /
+C2H5O2=C2H5+O2 +1.312E+62 -14.784 +49180.0 ! *:_:* LLNL *:_:*
+ REV/ 2.876E+56 -13.820 1.462E+04 /
+C2H5O2+CH2O=C2H5O2H+HCO +1.990E+12 +0.000 +11660.0 ! *:_:* LLNL *:_:*
+ REV/ 1.325E+14 -0.853 9.263E+03 /
+CH4+C2H5O2=CH3+C2H5O2H +1.810E+11 +0.000 +18480.0 ! *:_:* LLNL *:_:*
+ REV/ 2.237E+12 -0.694 -6.510E+02 /
+CH3OH+C2H5O2=CH2OH+C2H5O2H +1.810E+12 +0.000 +13710.0 ! *:_:* LLNL *:_:*
+ REV/ 2.350E+14 -1.031 2.408E+03 /
+C2H5O2+HO2=C2H5O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.763E+13 -0.792 3.382E+04 /
+C2H6+C2H5O2=C2H5+C2H5O2H +8.600E+00 +3.760 +17200.0 ! *:_:* LLNL *:_:*
+ REV/ 8.957E+00 3.302 1.838E+03 /
+C2H5O2H=C2H5O+OH +6.310E+14 +0.000 +42300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.661E+08 1.033 -1.705E+03 /
+C2H4O2H=C2H5+O2 +4.374E+47 -12.115 +31020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.814E+45 -11.500 1.460E+04 /
+C2H5+O2=C2H4+HO2 +7.561E+14 -1.010 +4749.0 ! *:_:* LLNL *:_:*
+ REV/ 8.802E+14 -0.962 1.813E+04 /
+ DUP
+C2H5+O2=C2H4+HO2 +4.000E-01 +3.880 +13620.0 ! *:_:* LLNL *:_:*
+ REV/ 4.656E-01 3.928 2.700E+04 /
+ DUP
+C2H5+O2=C2H4O1-2+OH +1.626E+11 -0.310 +6150.0 ! *:_:* LLNL *:_:*
+ REV/ 3.633E+13 -0.626 3.984E+04 /
+C2H5+O2=CH3CHO+OH +8.265E+02 +2.410 +5285.0 ! *:_:* LLNL *:_:*
+ REV/ 2.247E+03 2.301 6.597E+04 /
+C2H5O2=C2H4O2H +2.276E+39 -8.479 +45170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.203E+36 -8.130 2.702E+04 /
+C2H5O2=CH3CHO+OH +2.520E+41 -10.200 +43710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.502E+36 -9.345 6.984E+04 /
+C2H5O2=C2H4+HO2 +1.815E+38 -8.450 +37890.0 ! *:_:* LLNL *:_:*
+ REV/ 4.632E+32 -7.438 1.670E+04 /
+C2H5O2=C2H4O1-2+OH +4.000E+43 -10.460 +45580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.959E+40 -9.812 4.471E+04 /
+C2H4O2H=C2H4O1-2+OH +8.848E+30 -6.080 +20660.0 ! *:_:* LLNL *:_:*
+ REV/ 8.199E+30 -5.781 3.793E+04 /
+C2H4O2H=C2H4+HO2 +3.980E+34 -7.250 +23250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.922E+32 -6.587 2.021E+04 /
+C2H4O2H=CH3CHO+OH +1.188E+34 -9.020 +29210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.339E+32 -8.514 7.348E+04 /
+C2H4O1-2=CH3+HCO +3.630E+13 +0.000 +57200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.006E+04 1.549 -2.750E+03 /
+C2H4O1-2=CH3CHO +7.407E+12 +0.000 +53800.0 ! *:_:* LLNL *:_:*
+ REV/ 9.013E+10 0.207 8.080E+04 /
+C2H4O1-2+OH=C2H3O1-2+H2O +1.780E+13 +0.000 +3610.0 ! *:_:* LLNL *:_:*
+ REV/ 1.347E+10 0.693 2.474E+04 /
+C2H4O1-2+H=C2H3O1-2+H2 +8.000E+13 +0.000 +9680.0 ! *:_:* LLNL *:_:*
+ REV/ 5.710E+09 0.799 1.592E+04 /
+C2H4O1-2+HO2=C2H3O1-2+H2O2 +1.130E+13 +0.000 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 4.666E+11 0.104 2.067E+04 /
+C2H4O1-2+CH3O2=C2H3O1-2+CH3O2H +1.130E+13 +0.000 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 9.078E+12 -0.341 1.907E+04 /
+C2H4O1-2+C2H5O2=C2H3O1-2+C2H5O2H +1.130E+13 +0.000 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 9.093E+12 -0.341 1.908E+04 /
+C2H4O1-2+CH3=C2H3O1-2+CH4 +1.070E+12 +0.000 +11830.0 ! *:_:* LLNL *:_:*
+ REV/ 6.967E+10 0.353 1.961E+04 /
+C2H4O1-2+CH3O=C2H3O1-2+CH3OH +1.200E+11 +0.000 +6750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.839E+08 0.586 1.322E+04 /
+C2H3O1-2=CH3CO +8.500E+14 +0.000 +14000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.002E+14 0.041 4.871E+04 /
+C2H3O1-2=CH2CHO +1.000E+14 +0.000 +14000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.245E+15 -0.375 4.401E+04 /
+CH3CHO=CH3+HCO +7.687E+20 -1.342 +86950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+13 0.000 0.000E+00 /
+CH3CHO+H=CH3CO+H2 +2.370E+13 +0.000 +3642.0 ! *:_:* LLNL *:_:*
+ REV/ 1.639E+10 0.633 1.760E+04 /
+CH3CHO+O=CH3CO+OH +5.940E+12 +0.000 +1868.0 ! *:_:* LLNL *:_:*
+ REV/ 2.133E+09 0.614 1.441E+04 /
+CH3CHO+OH=CH3CO+H2O +3.370E+12 +0.000 -619.0 ! *:_:* LLNL *:_:*
+ REV/ 2.472E+10 0.527 2.823E+04 /
+CH3CHO+O2=CH3CO+HO2 +3.010E+13 +0.000 +39150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.092E+11 0.285 -1.588E+03 /
+CH3CHO+CH3=CH3CO+CH4 +7.080E-04 +4.580 +1966.0 ! *:_:* LLNL *:_:*
+ REV/ 4.468E-04 4.767 1.746E+04 /
+CH3CHO+HO2=CH3CO+H2O2 +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.205E+12 -0.062 9.877E+03 /
+CH3O2+CH3CHO=CH3O2H+CH3CO +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 2.344E+13 -0.507 8.282E+03 /
+CH3CHO+CH3CO3=CH3CO+CH3CO3H +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.922E+12 -0.010 1.265E+04 /
+CH3CHO+OH=CH3+HOCHO +3.000E+15 -1.076 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.371E+16 -1.277 2.375E+04 /
+CH3CHO+OH=CH2CHO+H2O +1.720E+05 +2.400 +815.0 ! *:_:* LLNL *:_:*
+ REV/ 1.332E+05 2.511 2.495E+04 /
+CH3CO(+M)=CH3+CO(+M) +3.000E+12 +0.000 +16720.0 ! *:_:* LLNL *:_:*
+ LOW / 1.2000E+15 0.0000E+00 1.2518E+04 /
+CH3CO+H=CH2CO+H2 +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.037E+13 0.201 6.056E+04 /
+CH3CO+O=CH2CO+OH +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.381E+12 0.182 5.914E+04 /
+CH3CO+CH3=CH2CO+CH4 +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.364E+16 -0.245 6.210E+04 /
+CH3CO3=CH3CO+O2 +6.863E+19 -1.949 +38530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+11 0.000 -1.100E+03 /
+CH3CO3+HO2=CH3CO3H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.080E+12 -0.294 3.818E+04 /
+H2O2+CH3CO3=HO2+CH3CO3H +2.410E+12 +0.000 +9936.0 ! *:_:* LLNL *:_:*
+ REV/ 3.845E+12 0.053 1.271E+04 /
+CH4+CH3CO3=CH3+CH3CO3H +1.810E+11 +0.000 +18480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.831E+11 -0.196 3.711E+03 /
+CH2O+CH3CO3=HCO+CH3CO3H +1.990E+12 +0.000 +11660.0 ! *:_:* LLNL *:_:*
+ REV/ 1.085E+13 -0.356 1.362E+04 /
+C2H6+CH3CO3=C2H5+CH3CO3H +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.450E+12 0.040 9.460E+03 /
+CH3CO3H=CH3CO2+OH +5.010E+14 +0.000 +40150.0 ! *:_:* LLNL *:_:*
+ REV/ 3.618E+07 1.761 1.338E+03 /
+CH3CO2+M=CH3+CO2+M +4.400E+15 +0.000 +10500.0 ! *:_:* LLNL *:_:*
+ REV/ 4.548E+08 1.378 1.752E+04 /
+CH2CHO=CH2CO+H +4.071E+15 -0.342 +50600.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+13 0.000 1.230E+04 /
+CH2CHO+O2=CH2O+CO+OH +8.950E+13 -0.600 +10120.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2+CO(+M)=CH2CO(+M) +8.100E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ LOW / 2.6900E+33 -5.1100E+00 7.0950E+03 /
+ TROE / 5.9070E-01 2.7500E+02 1.2260E+03 5.1850E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+CH2CO+H=CH3+CO +1.100E+13 +0.000 +3400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 4.020E+04 /
+CH2CO+H=HCCO+H2 +2.000E+14 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.434E+11 0.470 4.520E+03 /
+CH2CO+O=CH2+CO2 +1.750E+12 +0.000 +1350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.854E+09 0.809 4.944E+04 /
+CH2CO+O=HCCO+OH +1.000E+13 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.723E+09 0.452 3.108E+03 /
+CH2CO+OH=HCCO+H2O +1.000E+13 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.604E+10 0.365 1.341E+04 /
+CH2CO+OH=CH2OH+CO +2.000E+12 +0.000 -1010.0 ! *:_:* LLNL *:_:*
+ REV/ 8.170E+09 0.494 2.453E+04 /
+CH2(S)+CH2CO=C2H4+CO +1.600E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.750E+14 0.217 1.034E+05 /
+HCCO+OH=H2+2CO +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H+HCCO=CH2(S)+CO +1.100E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.061E+07 1.561 1.854E+04 /
+HCCO+O=H+2CO +8.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HCCO+O2=OH+2CO +4.200E+10 +0.000 +850.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HCCO+M=CH+CO+M +6.500E+15 +0.000 +58820.0 ! *:_:* LLNL *:_:*
+ REV/ 7.6E22 -1.9 0.0 /
+CH+CH2O=H+CH2CO +9.460E+13 +0.000 -515.0 ! *:_:* LLNL *:_:*
+ REV/ 1.623E+15 0.000 6.906E+04 /
+CH+HCCO=CO+C2H2 +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.721E+17 0.000 1.646E+05 /
+C2H3+H(+M)=C2H4(+M) +1.360E+14 +0.173 +660.0 ! *:_:* LLNL *:_:*
+ LOW / 1.4000E+30 -3.8600E+00 3.3200E+03 /
+ TROE / 7.8200E-01 2.0750E+02 2.6630E+03 6.0950E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C2H4(+M)=C2H2+H2(+M) +8.000E+12 +0.440 +88770.0 ! *:_:* LLNL *:_:*
+ LOW / 1.5800E+51 -9.3000E+00 9.7800E+04 /
+ TROE / 7.3500E-01 1.8000E+02 1.0350E+03 5.4170E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C2H4+H=C2H3+H2 +5.070E+07 +1.930 +12950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.602E+04 2.436 5.190E+03 /
+C2H4+O=CH3+HCO +8.564E+06 +1.880 +183.0 ! *:_:* LLNL *:_:*
+ REV/ 3.297E+02 2.602 2.614E+04 /
+C2H4+O=CH2CHO+H +4.986E+06 +1.880 +183.0 ! *:_:* LLNL *:_:*
+ REV/ 1.541E+09 1.201 1.878E+04 /
+C2H4+OH=C2H3+H2O +1.800E+06 +2.000 +2500.0 ! *:_:* LLNL *:_:*
+ REV/ 6.029E+03 2.400 9.632E+03 /
+C2H4+CH3=C2H3+CH4 +6.620E+00 +3.700 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.908E+00 3.760 3.280E+03 /
+C2H4+O2=C2H3+HO2 +4.000E+13 +0.000 +58200.0 ! *:_:* LLNL *:_:*
+ REV/ 2.0E+10 0.158 -4.249E+03 /
+C2H4+CH3O=C2H3+CH3OH +1.200E+11 +0.000 +6750.0 ! *:_:* LLNL *:_:*
+C2H4+CH3O2=C2H3+CH3O2H +8.590E+00 +3.754 +27132.0 ! *:_:* LLNL *:_:*
+C2H4+C2H5O2=C2H3+C2H5O2H +8.590E+00 +3.754 +27132.0 ! *:_:* LLNL *:_:*
+C2H4+CH3CO3=C2H3+CH3CO3H +8.590E+00 +3.754 +27132.0 ! *:_:* LLNL *:_:*
+C2H4+CH3O2=C2H4O1-2+CH3O +2.820E+12 +0.000 +17110.0 ! *:_:* LLNL *:_:*
+ REV/ 3.385E+13 -0.065 4.166E+04 /
+C2H4+C2H5O2=C2H4O1-2+C2H5O +2.820E+12 +0.000 +17110.0 ! *:_:* LLNL *:_:*
+ REV/ 7.638E+15 -0.916 4.283E+04 /
+C2H4+HO2=C2H4O1-2+OH +2.230E+12 +0.000 +17190.0 ! *:_:* LLNL *:_:*
+ REV/ 4.280E+14 -0.364 3.750E+04 /
+CH+CH4=C2H4+H +6.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.573E+14 0.000 5.548E+04 /
+CH2(S)+CH3=C2H4+H +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.128E+19 -1.223 7.305E+04 /
+C2H2+H(+M)=C2H3(+M) +5.600E+12 +0.000 +2400.0 ! *:_:* LLNL *:_:*
+ LOW / 3.8000E+40 -7.2700E+00 7.2200E+03 /
+ TROE / 7.5100E-01 9.8500E+01 1.3020E+03 4.1670E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C2H3+O2=C2H2+HO2 +2.120E-06 +6.000 +9484.0 ! *:_:* LLNL *:_:*
+ REV/ 1.087E-05 5.905 2.403E+04 /
+C2H3+O2=CH2O+HCO +8.500E+28 -5.312 +6500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.994E+27 -4.883 9.345E+04 /
+C2H3+O2=CH2CHO+O +5.500E+14 -0.611 +5260.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+18 -1.386 1.630E+04 /
+CH3+C2H3=CH4+C2H2 +3.920E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.497E+14 -0.193 7.078E+04 /
+C2H3+H=C2H2+H2 +9.640E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.427E+13 0.253 6.924E+04 /
+C2H3+OH=C2H2+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.184E+13 0.147 8.413E+04 /
+C2H+H(+M)=C2H2(+M) +1.000E+17 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ LOW / 3.7500E+33 -4.8000E+00 1.9000E+03 /
+ TROE / 6.4600E-01 1.3200E+02 1.3150E+03 5.5660E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C2H2+O2=HCCO+OH +2.000E+08 +1.500 +30100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.039E+06 1.541 3.227E+04 /
+O+C2H2=C2H+OH +4.600E+19 -1.400 +28950.0 ! *:_:* LLNL *:_:*
+ REV/ 3.023E+15 -0.604 -1.782E+03 /
+C2H2+O=CH2+CO +6.940E+06 +2.000 +1900.0 ! *:_:* LLNL *:_:*
+ REV/ 4.050E+01 3.198 4.836E+04 /
+C2H2+O=HCCO+H +1.350E+07 +2.000 +1900.0 ! *:_:* LLNL *:_:*
+ REV/ 4.755E+07 1.650 2.080E+04 /
+C2H2+OH=C2H+H2O +3.370E+07 +2.000 +14000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.524E+04 2.709 -4.280E+02 /
+C2H2+OH=CH2CO+H +3.236E+13 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.061E+17 -0.802 3.579E+04 /
+C2H2+OH=CH3+CO +4.830E-04 +4.000 -2000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.495E-06 4.638 5.212E+04 /
+OH+C2H2=H+HCCOH +5.040E+05 +2.300 +13500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.852E+09 1.436 4.382E+03 /
+H+HCCOH=H+CH2CO +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.299E+13 -0.290 3.111E+04 /
+C2H5OH(+M)=CH2OH+CH3(+M) +2.000E+23 -1.680 +96400.0 ! *:_:* LLNL *:_:*
+ LOW / 3.1100E+85 -1.8840E+01 1.1310E+05 /
+ TROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 /
+ H2/2/ H2O/5/ CO/2/ CO2/3/
+C2H5OH(+M)=C2H5+OH(+M) +2.400E+23 -1.620 +99540.0 ! *:_:* LLNL *:_:*
+ LOW / 5.1100E+85 -1.8800E+01 1.1877E+05 /
+ TROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 /
+ H2/2/ H2O/5/ CO/2/ CO2/3/
+C2H5OH(+M)=C2H4+H2O(+M) +1.320E+05 +2.520 +60660.0 ! *:_:* LLNL *:_:*
+ LOW / 3.0900E+55 -1.0920E+01 6.2644E+04 /
+ TROE / 8.9700E-01 1.0000E+10 1.0000E+00 5.0000E+09 /
+ H2O/5/
+C2H5OH(+M)=CH3CHO+H2(+M) +7.240E+11 +0.095 +91010.0 ! *:_:* LLNL *:_:*
+ LOW / 4.4600E+87 -1.9420E+01 1.1558E+05 /
+ TROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 /
+ H2O/5/
+C2H5OH+O2=PC2H4OH+HO2 +2.000E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.192E+10 0.278 4.430E+02 /
+C2H5OH+O2=SC2H4OH+HO2 +1.500E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.946E+11 0.089 4.879E+03 /
+C2H5OH+OH=PC2H4OH+H2O +1.810E+11 +0.400 +717.0 ! *:_:* LLNL *:_:*
+ REV/ 4.012E+08 0.920 1.794E+04 /
+C2H5OH+OH=SC2H4OH+H2O +5.560E+10 +0.500 -380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.458E+09 0.831 2.393E+04 /
+C2H5OH+OH=C2H5O+H2O +1.500E+10 +0.800 +2534.0 ! *:_:* LLNL *:_:*
+ REV/ 7.320E+09 0.906 1.721E+04 /
+C2H5OH+H=PC2H4OH+H2 +1.880E+03 +3.200 +7150.0 ! *:_:* LLNL *:_:*
+ REV/ 3.930E-01 3.826 9.484E+03 /
+C2H5OH+H=SC2H4OH+H2 +1.790E+05 +2.530 +3420.0 ! *:_:* LLNL *:_:*
+ REV/ 4.429E+02 2.967 1.284E+04 /
+C2H5OH+H=C2H5O+H2 +5.360E+04 +2.530 +4405.0 ! *:_:* LLNL *:_:*
+ REV/ 2.467E+03 2.742 4.188E+03 /
+C2H5OH+HO2=PC2H4OH+H2O2 +2.379E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.877E+03 2.481 2.827E+03 /
+C2H5OH+HO2=SC2H4OH+H2O2 +6.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.589E+12 -0.258 9.419E+03 /
+C2H5OH+HO2=C2H5O+H2O2 +2.500E+12 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.658E+13 -0.483 7.782E+03 /
+C2H5OH+CH3O2=PC2H4OH+CH3O2H +1.230E+04 +2.550 +15750.0 ! *:_:* LLNL *:_:*
+ REV/ 2.894E+04 2.036 4.880E+02 /
+C2H5OH+CH3O2=SC2H4OH+CH3O2H +8.200E+03 +2.550 +10750.0 ! *:_:* LLNL *:_:*
+ REV/ 2.284E+05 1.847 2.574E+03 /
+C2H5OH+CH3O2=C2H5O+CH3O2H +2.500E+12 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.295E+15 -0.927 6.187E+03 /
+C2H5OH+O=PC2H4OH+OH +9.690E+02 +3.230 +4658.0 ! *:_:* LLNL *:_:*
+ REV/ 1.052E-01 3.837 5.580E+03 /
+C2H5OH+O=SC2H4OH+OH +1.450E+05 +2.470 +876.0 ! *:_:* LLNL *:_:*
+ REV/ 1.862E+02 2.888 8.884E+03 /
+C2H5OH+O=C2H5O+OH +1.460E-03 +4.730 +1727.0 ! *:_:* LLNL *:_:*
+ REV/ 3.488E-05 4.924 9.800E+01 /
+C2H5OH+CH3=PC2H4OH+CH4 +3.300E+02 +3.300 +12290.0 ! *:_:* LLNL *:_:*
+ REV/ 6.294E+01 3.480 1.616E+04 /
+C2H5OH+CH3=SC2H4OH+CH4 +1.993E+01 +3.370 +7634.0 ! *:_:* LLNL *:_:*
+ REV/ 4.498E+01 3.361 1.859E+04 /
+C2H5OH+CH3=C2H5O+CH4 +2.035E+00 +3.570 +7721.0 ! *:_:* LLNL *:_:*
+ REV/ 8.545E+01 3.336 9.044E+03 /
+C2H5OH+C2H5=PC2H4OH+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 6.995E+10 0.000 2.699E+04 /
+C2H5OH+C2H5=SC2H4OH+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 6.995E+10 0.000 2.399E+00 /
+PC2H4OH=C2H4+OH +1.047E+25 -3.990 +30390.0 ! *:_:* LLNL *:_:*
+ REV/ 4.170E+20 -2.840 1.240E+03 /
+SC2H4OH+M=CH3CHO+H+M +1.000E+14 +0.000 +25000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.742E+12 0.462 -4.700E+02 /
+O2C2H4OH=PC2H4OH+O2 +3.900E+16 -1.000 +30000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+11 0.000 -1.100E+03 /
+O2C2H4OH=OH+2CH2O +3.125E+09 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+SC2H4OH+O2=CH3CHO+HO2 +3.810E+06 +2.000 +1641.0 ! *:_:* LLNL *:_:*
+ REV/ 2.190E+05 2.390 2.504E+04 /
+CH3COCH3(+M)=CH3CO+CH3(+M) +7.108E+21 -1.570 +84680.0 ! *:_:* LLNL *:_:*
+ LOW / 7.0130E+89 -2.0380E+01 1.0715E+05 /
+ TROE / 8.6300E-01 1.0000E+10 4.1640E+02 3.2900E+09 /
+CH3COCH3+OH=CH3COCH2+H2O +1.250E+05 +2.483 +445.0 ! *:_:* LLNL *:_:*
+ REV/ 8.620E+04 2.322 2.471E+04 /
+CH3COCH3+H=CH3COCH2+H2 +9.800E+05 +2.430 +5160.0 ! *:_:* LLNL *:_:*
+ REV/ 6.374E+04 2.375 1.453E+04 /
+CH3COCH3+O=CH3COCH2+OH +5.130E+11 +0.211 +4890.0 ! *:_:* LLNL *:_:*
+ REV/ 1.732E+10 0.137 1.285E+04 /
+CH3COCH3+CH3=CH3COCH2+CH4 +3.960E+11 +0.000 +9784.0 ! *:_:* LLNL *:_:*
+ REV/ 2.350E+13 -0.501 2.069E+04 /
+CH3COCH3+CH3O=CH3COCH2+CH3OH +4.340E+11 +0.000 +6460.0 ! *:_:* LLNL *:_:*
+ REV/ 6.060E+11 -0.268 1.606E+04 /
+CH3COCH3+O2=CH3COCH2+HO2 +6.030E+13 +0.000 +48500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.057E+13 -0.403 3.181E+03 /
+CH3COCH3+HO2=CH3COCH2+H2O2 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 6.397E+14 -0.750 1.383E+04 /
+CH3COCH3+CH3O2=CH3COCH2+CH3O2H +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.245E+16 -1.195 1.223E+04 /
+CH3COCH2=CH2CO+CH3 +1.000E+14 +0.000 +31000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+CH3COCH2O2=CH3COCH2+O2 +2.021E+15 -0.956 +24460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+11 0.000 -1.100E+03 /
+CH3COCH3+CH3COCH2O2=CH3COCH2+CH3COCH2O2H +1.000E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.995E+10 0.000 1.000E+04 /
+CH2O+CH3COCH2O2=HCO+CH3COCH2O2H +1.288E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.512E+10 0.000 1.010E+04 /
+HO2+CH3COCH2O2=CH3COCH2O2H+O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3COCH2O2H=CH3COCH2O+OH +1.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.0E15 -0.8 0.0 /
+CH3COCH2O=CH3CO+CH2O +3.732E+20 -2.176 +17260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+C2H3CHO=C2H3+HCO +2.003E+24 -2.135 +103400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.810E+13 0.000 0.000E+00 /
+C2H3CHO+H=C2H3CO+H2 +1.340E+13 +0.000 +3300.0 ! *:_:* LLNL *:_:*
+ REV/ 3.311E+10 0.613 2.268E+04 /
+C2H3CHO+O=C2H3CO+OH +5.940E+12 +0.000 +1868.0 ! *:_:* LLNL *:_:*
+ REV/ 7.618E+09 0.594 1.984E+04 /
+C2H3CHO+OH=C2H3CO+H2O +9.240E+06 +1.500 -962.0 ! *:_:* LLNL *:_:*
+ REV/ 2.420E+05 2.007 3.331E+04 /
+C2H3CHO+O2=C2H3CO+HO2 +1.005E+13 +0.000 +40700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.302E+11 0.265 5.391E+03 /
+C2H3CHO+HO2=C2H3CO+H2O2 +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.303E+12 -0.082 1.530E+04 /
+C2H3CHO+CH3=C2H3CO+CH4 +2.608E+06 +1.780 +5911.0 ! *:_:* LLNL *:_:*
+ REV/ 5.878E+06 1.947 2.683E+04 /
+C2H3CHO+C2H3=C2H3CO+C2H4 +1.740E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.800E+04 /
+C2H3CHO+CH3O=C2H3CO+CH3OH +1.000E+12 +0.000 +3300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.304E+10 0.401 2.291E+04 /
+C2H3CHO+CH3O2=C2H3CO+CH3O2H +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 8.371E+13 -0.527 1.371E+04 /
+C2H3CO=C2H3+CO +1.370E+21 -2.179 +39410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.510E+11 0.000 4.810E+03 /
+C2H5CHO=C2H5+HCO +1.496E+27 -3.205 +87040.0 ! *:_:* LLNL *:_:*
+ REV/ 1.810E+13 0.000 0.000E+00 /
+C2H5CHO+H=C2H5CO+H2 +4.000E+13 +0.000 +4200.0 ! *:_:* LLNL *:_:*
+ REV/ 2.377E+10 0.654 1.813E+04 /
+C2H5CHO+O=C2H5CO+OH +5.000E+12 +0.000 +1790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.542E+09 0.636 1.431E+04 /
+C2H5CHO+OH=C2H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.695E+08 1.308 2.848E+04 /
+C2H5CHO+CH3=C2H5CO+CH4 +2.608E+06 +1.780 +5911.0 ! *:_:* LLNL *:_:*
+ REV/ 1.414E+06 1.988 2.138E+04 /
+C2H5CHO+HO2=C2H5CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 9.626E+11 -0.041 1.153E+04 /
+C2H5CHO+CH3O=C2H5CO+CH3OH +1.000E+12 +0.000 +3300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.276E+10 0.442 1.746E+04 /
+C2H5CHO+CH3O2=C2H5CO+CH3O2H +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 2.013E+13 -0.485 8.260E+03 /
+C2H5CHO+C2H5=C2H5CO+C2H6 +1.000E+12 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.432E+12 -0.028 1.970E+04 /
+C2H5CHO+C2H5O=C2H5CO+C2H5OH +6.026E+11 +0.000 +3300.0 ! *:_:* LLNL *:_:*
+ REV/ 3.020E+11 0.000 1.816E+04 /
+C2H5CHO+C2H5O2=C2H5CO+C2H5O2H +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 2.017E+13 -0.486 8.264E+03 /
+C2H5CHO+O2=C2H5CO+HO2 +1.005E+13 +0.000 +40700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.131E+10 0.306 -5.800E+01 /
+C2H5CHO+CH3CO3=C2H5CO+CH3CO3H +3.010E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.651E+12 0.012 1.263E+04 /
+C2H5CHO+C2H3=C2H5CO+C2H4 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 3.198E+12 0.148 3.013E+04 /
+C2H5CO=C2H5+CO +2.460E+23 -3.208 +17550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.510E+11 0.000 4.810E+03 /
+CH3OCH3(+M)=CH3+CH3O(+M) +7.250E+21 -0.940 +80250.0 ! *:_:* LLNL *:_:*
+ LOW / 3.5000E+60 -1.1560E+01 1.0100E+05 /
+ TROE / 1.8300E-01 1.3000E+00 1.3000E+04 6.7100E+09 /
+CH3OCH3+OH=CH3OCH2+H2O +6.324E+06 +2.000 -651.7 ! *:_:* LLNL *:_:*
+ REV/ 7.853E+04 2.236 2.121E+04 /
+CH3OCH3+H=CH3OCH2+H2 +7.721E+06 +2.090 +3384.0 ! *:_:* LLNL *:_:*
+ REV/ 9.042E+03 2.432 1.036E+04 /
+CH3OCH3+O=CH3OCH2+OH +7.750E+08 +1.360 +2250.0 ! *:_:* LLNL *:_:*
+ REV/ 4.712E+05 1.683 7.810E+03 /
+CH3OCH3+HO2=CH3OCH2+H2O2 +1.680E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.138E+13 -0.353 8.657E+03 /
+CH3OCH3+CH3O2=CH3OCH2+CH3O2H +1.680E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.215E+14 -0.798 7.062E+03 /
+CH3OCH3+CH3=CH3OCH2+CH4 +1.445E-06 +5.730 +5700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.544E-06 5.626 1.421E+04 /
+CH3OCH3+O2=CH3OCH2+HO2 +4.100E+13 +0.000 +44910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.518E+11 -0.006 -2.806E+03 /
+CH3OCH3+CH3O=CH3OCH2+CH3OH +6.020E+11 +0.000 +4074.0 ! *:_:* LLNL *:_:*
+ REV/ 7.383E+10 -0.270 1.026E+04 /
+CH3OCH3+CH3OCH2O2=CH3OCH2+CH3OCH2O2H +5.000E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 6.428E+13 -0.794 7.258E+03 /
+CH3OCH3+O2CHO=CH3OCH2+HO2CHO +4.425E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.723E+06 1.746 5.832E+03 /
+CH3OCH3+OCHO=CH3OCH2+HOCHO +1.000E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 7.195E+12 -0.314 3.313E+04 /
+CH3OCH2=CH2O+CH3 +1.600E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.601E+05 1.879 1.667E+04 /
+CH3OCH2+CH3O=CH3OCH3+CH2O +2.410E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+14 0.320 7.854E+04 /
+CH3OCH2+CH2O=CH3OCH3+HCO +5.490E+03 +2.800 +5862.0 ! *:_:* LLNL *:_:*
+ REV/ 2.768E+04 2.745 1.408E+04 /
+CH3OCH2+CH3CHO=CH3OCH3+CH3CO +1.260E+12 +0.000 +8499.0 ! *:_:* LLNL *:_:*
+ REV/ 7.746E+11 0.280 1.698E+04 /
+CH3OCH2O2=CH3OCH2+O2 +4.439E+19 -1.594 +36240.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CH3OCH2O2+CH2O=CH3OCH2O2H+HCO +1.000E+12 +0.000 +11660.0 ! *:_:* LLNL *:_:*
+ REV/ 6.482E+13 -0.849 9.455E+03 /
+CH3OCH2O2+CH3CHO=CH3OCH2O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+2CH3OCH2O2=O2+2CH3OCH2O +2.210E+23 -4.500 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3OCH2O2H=CH3OCH2O+OH +2.106E+22 -2.124 +43830.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+CH3OCH2O=CH3O+CH2O +4.384E+19 -2.014 +25190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CH3OCH2O+O2=CH3OCHO+HO2 +5.000E+10 +0.000 +500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.086E+10 -0.020 4.648E+04 /
+CH3OCH2O=CH3OCHO+H +6.060E+12 +0.056 +8218.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 7.838E+03 /
+CH3OCH2O2=CH2OCH2O2H +6.000E+10 +0.000 +21580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.248E+12 -0.765 1.112E+04 /
+CH2OCH2O2H=OH+2CH2O +1.500E+13 +0.000 +20760.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O2CH2OCH2O2H=CH2OCH2O2H+O2 +1.924E+19 -1.622 +36270.0 ! *:_:* LLNL *:_:*
+ REV/ 7.000E+11 0.000 0.000E+00 /
+O2CH2OCH2O2H=HO2CH2OCHO+OH +4.000E+10 +0.000 +18580.0 ! *:_:* LLNL *:_:*
+ REV/ 5.041E+03 1.416 5.964E+04 /
+HO2CH2OCHO=OCH2OCHO+OH +2.000E+16 +0.000 +40500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.0E15 -0.8 0.0 /
+OCH2OCHO=CH2O+OCHO +2.898E+19 -2.201 +31850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.190E+04 /
+OCH2OCHO=HOCH2OCO +1.000E+11 +0.000 +14000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.568E+09 0.487 2.067E+04 /
+HOCH2OCO=HOCH2O+CO +2.238E+19 -2.021 +19690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.800E+03 /
+HOCH2OCO=CH2OH+CO2 +2.413E+17 -1.574 +22120.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 3.572E+04 /
+CH3OCHO=CH2OCHO+H +8.241E+19 -1.150 +102500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+CH3OCHO=CH3OCO+H +1.325E+19 -1.000 +100100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+CH3OCHO(+M)=CH3OH+CO(+M) +1.000E+14 +0.000 +62500.0 ! *:_:* LLNL *:_:*
+ LOW / 6.1430E+60 -1.2070E+01 7.5400E+04 /
+ TROE / 7.8000E-01 8.2800E+09 4.3890E+02 6.7000E+08 /
+CH3OCHO=CH3O+HCO +5.374E+16 -0.010 +97090.0 ! *:_:* LLNL *:_:*
+ REV/ 2.0E12 0.0 -1000.0 /
+CH3OCHO=CH3+OCHO +3.214E+17 -0.530 +79970.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+CH3OCHO+O2=CH3OCO+HO2 +1.000E+13 +0.000 +49700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.979E+10 0.329 9.998E-01 /
+CH3OCHO+O2=CH2OCHO+HO2 +2.050E+13 +0.000 +52000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.143E+10 0.356 3.310E+02 /
+CH3OCHO+OH=CH3OCO+H2O +1.580E+07 +1.800 +934.0 ! *:_:* LLNL *:_:*
+ REV/ 9.519E+04 2.371 2.082E+04 /
+CH3OCHO+OH=CH2OCHO+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.114E+07 1.568 1.950E+04 /
+CH3OCHO+HO2=CH3OCO+H2O2 +4.820E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.585E+03 2.581 2.899E+03 /
+CH3OCHO+HO2=CH2OCHO+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.746E+03 2.558 3.513E+03 /
+CH3OCHO+O=CH3OCO+OH +2.755E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+ REV/ 8.126E+01 3.108 6.408E+03 /
+CH3OCHO+O=CH2OCHO+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.014E+02 3.115 6.358E+03 /
+CH3OCHO+H=CH3OCO+H2 +6.500E+05 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.693E+02 3.076 9.461E+03 /
+CH3OCHO+H=CH2OCHO+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 1.326E+02 3.243 9.776E+03 /
+CH3OCHO+CH3=CH3OCO+CH4 +7.550E-01 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 3.914E-01 3.691 1.201E+04 /
+CH3OCHO+CH3=CH2OCHO+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.222E-02 3.908 1.171E+04 /
+CH3OCHO+CH3O=CH3OCO+CH3OH +5.480E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.685E+09 0.464 1.022E+04 /
+CH3OCHO+CH3O=CH2OCHO+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.289E+08 0.491 9.705E+03 /
+CH3OCHO+CH3O2=CH3OCO+CH3O2H +4.820E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.083E+04 2.137 1.304E+03 /
+CH3OCHO+CH3O2=CH2OCHO+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.342E+04 2.114 1.918E+03 /
+CH3OCHO+HCO=CH3OCO+CH2O +5.400E+06 +1.900 +17010.0 ! *:_:* LLNL *:_:*
+ REV/ 5.196E+05 2.290 6.806E+03 /
+CH3OCHO+HCO=CH2OCHO+CH2O +1.025E+05 +2.500 +18430.0 ! *:_:* LLNL *:_:*
+ REV/ 3.461E+03 2.917 6.261E+03 /
+CH2OCHO=CH3OCO +2.620E+11 -0.030 +38180.0 ! *:_:* LLNL *:_:*
+ REV/ 1.629E+12 -0.180 4.067E+04 /
+CH3OCO=CH3+CO2 +3.590E+14 -0.172 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 4.760E+07 1.540 3.470E+04 /
+CH3OCO=CH3O+CO +1.431E+15 -0.041 +23770.0 ! *:_:* LLNL *:_:*
+ REV/ 1.550E+06 2.020 5.730E+03 /
+CH2OCHO=CH2O+HCO +4.661E+12 +0.120 +27440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.190E+04 /
+C3H8(+M)=CH3+C2H5(+M) +1.290E+37 -5.840 +97380.0 ! *:_:* LLNL *:_:*
+ LOW / 5.6400E+74 -1.5740E+01 9.8714E+04 /
+ TROE / 3.1000E-01 5.0000E+01 3.0000E+03 9.0000E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C3H8=NC3H7+H +3.750E+17 -0.357 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+C3H8=IC3H7+H +2.377E+18 -0.671 +98680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+C3H8+O2=IC3H7+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.764E+09 0.599 -1.690E+02 /
+C3H8+O2=NC3H7+HO2 +6.000E+13 +0.000 +52290.0 ! *:_:* LLNL *:_:*
+ REV/ 3.354E+10 0.285 -5.900E+01 /
+H+C3H8=H2+IC3H7 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 2.186E+01 3.347 9.351E+03 /
+H+C3H8=H2+NC3H7 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 1.418E+02 3.173 9.096E+03 /
+C3H8+O=IC3H7+OH +5.490E+05 +2.500 +3140.0 ! *:_:* LLNL *:_:*
+ REV/ 4.793E+00 3.428 6.608E+03 /
+C3H8+O=NC3H7+OH +3.710E+06 +2.400 +5505.0 ! *:_:* LLNL *:_:*
+ REV/ 2.053E+02 3.014 6.433E+03 /
+C3H8+OH=NC3H7+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.191E+07 1.497 1.882E+04 /
+C3H8+OH=IC3H7+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 8.327E+03 2.451 1.974E+04 /
+C3H8+HO2=IC3H7+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 5.721E+02 2.752 3.742E+03 /
+C3H8+HO2=NC3H7+H2O2 +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.995E+03 2.438 3.030E+03 /
+CH3+C3H8=CH4+IC3H7 +6.400E+04 +2.170 +7520.0 ! *:_:* LLNL *:_:*
+ REV/ 9.819E+02 2.671 1.394E+04 /
+CH3+C3H8=CH4+NC3H7 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.791E-02 3.837 1.103E+04 /
+IC3H7+C3H8=NC3H7+C3H8 +3.000E+10 +0.000 +12900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+10 0.000 1.290E+04 /
+C2H3+C3H8=C2H4+IC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.310E+11 0.000 1.780E+04 /
+C2H3+C3H8=C2H4+NC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.310E+11 0.000 1.780E+04 /
+C2H5+C3H8=C2H6+IC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.630E+10 0.000 9.934E+03 /
+C2H5+C3H8=C2H6+NC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.630E+10 0.000 9.934E+03 /
+C3H8+C3H5-A=NC3H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.372E+16 -1.330 1.340E+04 /
+C3H8+C3H5-A=IC3H7+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* LLNL *:_:*
+ REV/ 5.372E+16 -1.330 9.095E+03 /
+C3H8+CH3O=NC3H7+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.220E+10 0.000 9.182E+03 /
+C3H8+CH3O=IC3H7+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.220E+10 0.000 9.182E+03 /
+CH3O2+C3H8=CH3O2H+NC3H7 +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.718E+04 1.993 1.435E+03 /
+CH3O2+C3H8=CH3O2H+IC3H7 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 1.113E+04 2.307 2.147E+03 /
+C2H5O2+C3H8=C2H5O2H+NC3H7 +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.735E+04 1.993 1.439E+03 /
+C2H5O2+C3H8=C2H5O2H+IC3H7 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 1.115E+04 2.307 2.151E+03 /
+NC3H7O2+C3H8=NC3H7O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.086E+13 -0.510 5.000E+03 /
+NC3H7O2+C3H8=NC3H7O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.871E+11 -0.196 4.080E+03 /
+IC3H7O2+C3H8=IC3H7O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.093E+13 -0.511 5.000E+03 /
+IC3H7O2+C3H8=IC3H7O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.885E+11 -0.197 4.080E+03 /
+C3H8+CH3CO3=IC3H7+CH3CO3H +2.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.104E+10 0.305 8.650E+03 /
+C3H8+CH3CO3=NC3H7+CH3CO3H +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.673E+12 -0.009 9.570E+03 /
+C3H8+O2CHO=NC3H7+HO2CHO +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.187E-08 5.540 -1.920E+03 /
+C3H8+O2CHO=IC3H7+HO2CHO +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.838E-06 4.650 -3.000E+01 /
+IC3H7=H+C3H6 +6.919E+13 -0.025 +37690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.640E+13 0.000 2.160E+03 /
+IC3H7+H=C2H5+CH3 +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.344E+07 1.176 8.620E+03 /
+IC3H7+O2=C3H6+HO2 +4.500E-19 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+IC3H7+OH=C3H6+H2O +2.410E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.985E+12 0.570 8.382E+04 /
+IC3H7+O=CH3COCH3+H +4.818E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.293E+16 -0.190 7.938E+04 /
+IC3H7+O=CH3CHO+CH3 +4.818E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.279E+11 0.800 8.648E+04 /
+NC3H7=CH3+C2H4 +9.240E+10 +0.870 +30500.0 ! *:_:* LLNL *:_:*
+NC3H7=H+C3H6 +4.140E+12 +0.170 +35600.0 ! *:_:* LLNL *:_:*
+NC3H7+O2=C3H6+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+C2H5CHO+NC3H7=C2H5CO+C3H8 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.900E+14 0.000 1.879E+04 /
+C2H5CHO+IC3H7=C2H5CO+C3H8 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.900E+14 0.000 1.879E+04 /
+C2H5CHO+C3H5-A=C2H5CO+C3H6 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.800E+04 /
+C3H6=C2H3+CH3 +2.730E+62 -13.280 +123200.0 ! *:_:* LLNL *:_:*
+ REV/ 6.822E+53 -11.779 2.055E+04 /
+C3H6=C3H5-A+H +2.010E+61 -13.260 +118500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.041E+61 -13.520 3.061E+04 /
+C3H6=C3H5-S+H +7.710E+69 -16.090 +140000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.551E+67 -15.867 2.869E+04 /
+C3H6=C3H5-T+H +5.620E+71 -16.580 +139300.0 ! *:_:* LLNL *:_:*
+ REV/ 4.260E+68 -16.164 3.008E+04 /
+C3H6+O=C2H5+HCO +1.580E+07 +1.760 -1216.0 ! *:_:* LLNL *:_:*
+ REV/ 9.188E+01 2.725 2.311E+04 /
+C3H6+O=CH2CO+CH3+H +2.500E+07 +1.760 +76.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6+O=>CH3CHCO+2H +2.500E+07 +1.760 +76.0 ! *:_:* LLNL *:_:*
+C3H6+O=C3H5-A+OH +5.240E+11 +0.700 +5884.0 ! *:_:* LLNL *:_:*
+ REV/ 1.104E+11 0.697 2.015E+04 /
+C3H6+O=C3H5-S+OH +1.200E+11 +0.700 +8959.0 ! *:_:* LLNL *:_:*
+ REV/ 8.239E+07 1.180 -2.070E+02 /
+C3H6+O=C3H5-T+OH +6.030E+10 +0.700 +7632.0 ! *:_:* LLNL *:_:*
+ REV/ 9.483E+06 1.373 5.760E+02 /
+C3H6+OH=C3H5-A+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.343E+07 1.909 3.027E+04 /
+C3H6+OH=C3H5-S+H2O +2.110E+06 +2.000 +2778.0 ! *:_:* LLNL *:_:*
+ REV/ 2.959E+04 2.393 9.916E+03 /
+C3H6+OH=C3H5-T+H2O +1.110E+06 +2.000 +1451.0 ! *:_:* LLNL *:_:*
+ REV/ 3.565E+03 2.586 1.070E+04 /
+C3H6+HO2=C3H5-A+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* LLNL *:_:*
+ REV/ 6.341E+06 1.820 1.201E+04 /
+C3H6+HO2=C3H5-S+H2O2 +1.800E+04 +2.500 +27620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.377E+04 2.304 3.864E+03 /
+C3H6+HO2=C3H5-T+H2O2 +9.000E+03 +2.500 +23590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.577E+03 2.497 1.941E+03 /
+C3H6+H=C3H5-A+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 7.023E+04 2.515 1.817E+04 /
+C3H6+H=C3H5-S+H2 +8.040E+05 +2.500 +12280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.063E+03 2.999 4.526E+03 /
+C3H6+H=C3H5-T+H2 +4.050E+05 +2.500 +9794.0 ! *:_:* LLNL *:_:*
+ REV/ 1.227E+02 3.192 4.150E+03 /
+C3H6+H=C2H4+CH3 +2.300E+13 +0.000 +2547.0 ! *:_:* LLNL *:_:*
+ REV/ 7.272E+07 1.271 1.120E+04 /
+C3H6+O2=C3H5-A+HO2 +4.000E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+ REV/ 8.514E+12 -0.333 8.870E+02 /
+C3H6+O2=C3H5-S+HO2 +2.000E+12 +0.000 +62900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.387E+10 0.151 4.590E+02 /
+C3H6+O2=C3H5-T+HO2 +1.400E+12 +0.000 +60700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.224E+09 0.344 3.690E+02 /
+C3H6+CH3=C3H5-A+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 8.184E+02 3.070 2.289E+04 /
+C3H6+CH3=C3H5-S+CH4 +1.348E+00 +3.500 +12850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.626E+00 3.553 6.635E+03 /
+C3H6+CH3=C3H5-T+CH4 +8.400E-01 +3.500 +11660.0 ! *:_:* LLNL *:_:*
+ REV/ 2.322E-01 3.746 7.552E+03 /
+C3H6+C2H5=C3H5-A+C2H6 +1.000E+11 +0.000 +9800.0 ! *:_:* LLNL *:_:*
+ REV/ 5.369E+05 1.330 1.644E+04 /
+C3H6+CH3CO3=C3H5-A+CH3CO3H +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+C3H6+CH3O2=C3H5-A+CH3O2H +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+C3H6+HO2=C3H6O1-2+OH +1.290E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E-10 0.000 0.000E+00 /
+C3H6+C2H5O2=C3H5-A+C2H5O2H +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+C3H6+NC3H7O2=C3H5-A+NC3H7O2H +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+C3H6+IC3H7O2=C3H5-A+IC3H7O2H +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+C3H6OH=C3H6+OH +4.343E+15 -0.805 +27900.0 ! *:_:* LLNL *:_:*
+ REV/ 9.930E+11 0.000 -9.600E+02 /
+HOC3H6O2=C3H6OH+O2 +2.873E+19 -1.897 +34290.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+11 0.000 -1.100E+03 /
+HOC3H6O2=CH3CHO+CH2O+OH +1.250E+10 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H5-A=C2H2+CH3 +2.397E+48 -9.900 +82080.0 ! *:_:* LLNL *:_:*
+ REV/ 2.610E+46 -9.820 3.695E+04 /
+C3H5-A=C3H4-A+H +4.194E+13 +0.216 +61930.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+11 0.690 3.007E+03 /
+C3H5-A+HO2=C3H5O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.605E+12 0.060 1.166E+04 /
+C3H5-A+CH3O2=C3H5O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+15 -0.740 1.702E+04 /
+C3H5-A+H=C3H4-A+H2 +1.232E+03 +3.035 +2582.0 ! *:_:* LLNL *:_:*
+ REV/ 2.818E+00 3.784 4.722E+04 /
+C3H5-A+CH3=C3H4-A+CH4 +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.921E+12 0.050 4.778E+04 /
+C3H5-A+C2H5=C2H6+C3H4-A +4.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.802E+12 0.050 4.033E+04 /
+C3H5-A+C2H5=C2H4+C3H6 +4.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.937E+16 -1.330 5.280E+04 /
+C3H5-A+C2H3=C2H4+C3H4-A +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.624E+13 0.050 4.819E+04 /
+C3H4-A+C3H6=2C3H5-A +4.749E+08 +0.734 +28700.0 ! *:_:* LLNL *:_:*
+ REV/ 8.430E+10 0.000 -2.620E+02 /
+C3H5-A+O2=C3H4-A+HO2 +2.180E+21 -2.850 +30760.0 ! *:_:* LLNL *:_:*
+ REV/ 2.614E+19 -2.449 2.071E+04 /
+C3H5-A+O2=CH2CHO+CH2O +7.140E+15 -1.210 +21050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.944E+16 -1.400 8.862E+04 /
+C3H5-A+O2=C2H3CHO+OH +2.470E+13 -0.440 +23020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.989E+13 -0.609 7.514E+04 /
+C3H5-A+O2=C2H2+CH2O+OH +9.720E+29 -5.710 +21450.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H5-S=C2H2+CH3 +9.598E+39 -8.170 +42030.0 ! *:_:* LLNL *:_:*
+ REV/ 1.610E+40 -8.580 2.033E+04 /
+C3H5-S=C3H4-P+H +4.187E+15 -0.790 +37480.0 ! *:_:* LLNL *:_:*
+ REV/ 5.800E+12 0.000 3.100E+03 /
+C3H5-S+O2=CH3CHO+HCO +4.335E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.611E+17 -1.270 9.653E+04 /
+C3H5-S+H=C3H4-A+H2 +3.333E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.977E+12 0.110 6.886E+04 /
+C3H5-S+CH3=C3H4-A+CH4 +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.253E+12 0.110 6.934E+04 /
+C3H5-T=C2H2+CH3 +2.163E+40 -8.310 +45110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.610E+40 -8.580 2.033E+04 /
+C3H5-T=C3H4-A+H +3.508E+14 -0.440 +40890.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+12 0.000 2.000E+03 /
+C3H5-T=C3H4-P+H +1.075E+15 -0.600 +38490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.500E+12 0.000 2.000E+03 /
+C3H5-T+O2=C3H4-A+HO2 +1.890E+30 -5.590 +15540.0 ! *:_:* LLNL *:_:*
+ REV/ 3.037E+31 -5.865 2.681E+04 /
+C3H5-T+O2=CH3COCH2+O +3.810E+17 -1.360 +5580.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 1.750E+04 /
+C3H5-T+O2=CH2O+CH3CO +3.710E+25 -3.960 +7043.0 ! *:_:* LLNL *:_:*
+ REV/ 1.872E+27 -4.430 1.012E+05 /
+C3H5-T+H=C3H4-P+H2 +3.333E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.138E+16 -0.880 7.105E+04 /
+C3H5-T+CH3=C3H4-P+CH4 +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.676E+16 -0.880 7.153E+04 /
+C3H4-A+M=C3H3+H+M +1.143E+17 +0.000 +70000.0 ! *:_:* LLNL *:_:*
+ REV / 2.0E17 0.0 -1000.0 /
+C3H4-A=C3H4-P +1.202E+15 +0.000 +92400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.222E+18 -0.990 9.659E+04 /
+C3H4-A+O2=C3H3+HO2 +4.000E+13 +0.000 +39160.0 ! *:_:* LLNL *:_:*
+ REV/ 3.170E+11 -0.086 3.110E+02 /
+C3H4-A+HO2=CH2CO+CH2+OH +4.000E+12 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C3H4-A+OH=CH2CO+CH3 +3.120E+12 +0.000 -397.0 ! *:_:* LLNL *:_:*
+ REV/ 1.806E+17 -1.380 3.607E+04 /
+C3H4-A+OH=C3H3+H2O +1.000E+07 +2.000 +1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.602E+05 2.157 3.173E+04 /
+C3H4-A+O=C2H4+CO +7.800E+12 +0.000 +1600.0 ! *:_:* LLNL *:_:*
+ REV/ 3.269E+08 1.252 1.219E+05 /
+C3H4-A+O=C2H2+CH2O +3.000E-03 +4.610 -4243.0 ! *:_:* LLNL *:_:*
+ REV/ 2.320E+02 3.230 8.119E+04 /
+C3H4-A+H=C3H3+H2 +2.000E+07 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.022E+04 2.262 2.084E+04 /
+C3H4-A+CH3=C3H3+CH4 +3.670E-02 +4.010 +6830.0 ! *:_:* LLNL *:_:*
+ REV/ 5.060E-02 3.826 2.421E+04 /
+C3H4-A+C3H5-A=C3H3+C3H6 +2.000E+11 +0.000 +7700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.644E+19 -2.710 4.214E+04 /
+C3H4-A+C2H=C3H3+C2H2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.420E+16 -1.380 5.382E+04 /
+C3H4-P+M=C3H3+H+M +1.143E+17 +0.000 +70000.0 ! *:_:* LLNL *:_:*
+ REV / 2.0E17 0.0 -1000.0 /
+C3H4-P=C2H+CH3 +4.200E+16 +0.000 +100000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.018E+12 0.610 -1.600E+03 /
+C3H4-P+O2=HCCO+OH+CH2 +1.000E+07 +1.500 +30100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C3H4-P+O2=C3H3+HO2 +2.000E+13 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 6.371E+11 -0.208 1.021E+03 /
+C3H4-P+HO2=C2H4+CO+OH +3.000E+12 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C3H4-P+OH=C3H3+H2O +1.000E+07 +2.000 +1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.441E+05 2.034 3.000E+04 /
+C3H4-P+OH=CH2CO+CH3 +5.000E-04 +4.500 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.079E-02 4.110 3.128E+04 /
+C3H4-P+O=C2H3+HCO +3.200E+12 +0.000 +2010.0 ! *:_:* LLNL *:_:*
+ REV/ 2.548E+12 -0.390 3.235E+04 /
+C3H4-P+O=HCCO+CH3 +9.600E+08 +1.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.430E+04 1.793 2.699E+04 /
+C3H4-P+O=>HCCO+CH2+H +3.200E-19 +0.000 +2010.0 ! *:_:* LLNL *:_:*
+C3H4-P+O=C3H3+OH +7.650E+08 +1.500 +8600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.177E+08 1.310 2.247E+04 /
+C3H4-P+H=C3H3+H2 +2.000E+07 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.215E+05 2.140 1.911E+04 /
+C3H4-P+CH3=C3H3+CH4 +1.500E+00 +3.500 +5600.0 ! *:_:* LLNL *:_:*
+ REV/ 8.313E+00 3.195 2.125E+04 /
+C3H4-P+C2H=C3H3+C2H2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.297E+11 -0.390 4.963E+04 /
+C3H4-P+C2H3=C3H3+C2H4 +1.000E+12 +0.000 +7700.0 ! *:_:* LLNL *:_:*
+ REV/ 9.541E+11 -0.390 5.245E+04 /
+C3H4-P+C3H5-A=C3H3+C3H6 +1.000E+12 +0.000 +7700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.931E+16 -1.730 3.795E+04 /
+C3H3+O=CH2O+C2H +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.446E+14 0.000 3.161E+04 /
+C3H3+OH=C3H2+H2O +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.343E+15 0.000 1.568E+04 /
+C3H3+O2=CH2CO+HCO +3.010E+10 +0.000 +2870.0 ! *:_:* LLNL *:_:*
+ REV/ 4.881E+11 0.000 5.947E+04 /
+C3H3+CH3=C2H5+C2H +4.299E+15 -0.790 +45630.0 ! *:_:* LLNL *:_:*
+ REV/ 1.810E+13 0.000 0.000E+00 /
+C3H2+O2=HCO+HCCO +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.326E+14 -0.214 7.719E+04 /
+C3H4-A+HO2=C2H4+CO+OH +1.000E+12 +0.000 +14000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C3H4-A+HO2=C3H3+H2O2 +3.000E+13 +0.000 +14000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.551E+16 -1.380 4.400E+04 /
+C2H2+CH3=C3H4-P+H +4.229E+08 +1.143 +12090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 4.000E+03 /
+C2H2+CH3=C3H4-A+H +6.740E+19 -2.080 +31590.0 ! *:_:* LLNL *:_:*
+ REV/ 6.407E+25 -3.345 2.177E+04 /
+C3H3+H=C3H2+H2 +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.999E+07 1.365 4.110E+03 /
+C3H2+OH=C2H2+HCO +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.282E+16 -0.254 7.502E+04 /
+C3H2+O2=HCCO+CO+H +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3CHCO+OH=C2H5+CO2 +1.730E+12 +0.000 -1010.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3CHCO+OH=SC2H4OH+CO +2.000E+12 +0.000 -1010.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3CHCO+H=C2H5+CO +4.400E+12 +0.000 +1459.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3CHCO+O=CH3CHO+CO +3.200E+12 +0.000 -437.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC3H7+HO2=NC3H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.220E+15 -0.692 2.531E+04 /
+IC3H7+HO2=IC3H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.051E+16 -0.557 2.732E+04 /
+CH3O2+NC3H7=CH3O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.890E+14 -0.394 2.955E+04 /
+CH3O2+IC3H7=CH3O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.573E+14 -0.258 3.156E+04 /
+NC3H7O2=NC3H7+O2 +2.400E+20 -1.616 +35960.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+IC3H7O2=IC3H7+O2 +3.132E+22 -2.167 +38160.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+NC3H7O2+CH2O=NC3H7O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+11 0.000 1.000E+04 /
+NC3H7O2+CH3CHO=NC3H7O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+IC3H7O2+CH2O=IC3H7O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+11 0.000 1.000E+04 /
+IC3H7O2+CH3CHO=IC3H7O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+NC3H7O2+HO2=NC3H7O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.841E+13 -0.795 3.361E+04 /
+IC3H7O2+HO2=IC3H7O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.855E+13 -0.796 3.361E+04 /
+C2H4+NC3H7O2=C2H3+NC3H7O2H +1.130E+13 +0.000 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 1.150E+04 /
+C2H4+IC3H7O2=C2H3+IC3H7O2H +1.130E+13 +0.000 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 1.150E+04 /
+CH3OH+NC3H7O2=CH2OH+NC3H7O2H +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.000 1.000E+04 /
+CH3OH+IC3H7O2=CH2OH+IC3H7O2H +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.000 1.000E+04 /
+C2H3CHO+NC3H7O2=C2H3CO+NC3H7O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+C2H3CHO+IC3H7O2=C2H3CO+IC3H7O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+CH4+NC3H7O2=CH3+NC3H7O2H +1.120E+13 +0.000 +24640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.430E+11 0.000 5.500E+03 /
+CH4+IC3H7O2=CH3+IC3H7O2H +1.120E+13 +0.000 +24640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.430E+11 0.000 5.500E+03 /
+NC3H7O2+CH3O2=NC3H7O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC3H7O2+CH3O2=IC3H7O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H2+NC3H7O2=H+NC3H7O2H +3.010E+13 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.800E+13 0.000 7.950E+03 /
+H2+IC3H7O2=H+IC3H7O2H +3.010E+13 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.800E+13 0.000 7.950E+03 /
+IC3H7O2+C2H6=IC3H7O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+NC3H7O2+C2H6=NC3H7O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC3H7O2+C2H5CHO=IC3H7O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+09 0.000 1.000E+04 /
+NC3H7O2+C2H5CHO=NC3H7O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+09 0.000 1.000E+04 /
+IC3H7O2+CH3CO3=IC3H7O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC3H7O2+CH3CO3=NC3H7O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC3H7O2+C2H5O2=IC3H7O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC3H7O2+C2H5O2=NC3H7O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2IC3H7O2=O2+2IC3H7O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2NC3H7O2=O2+2NC3H7O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC3H7O2+NC3H7O2=IC3H7O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC3H7O2+CH3=IC3H7O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.145E+11 0.695 2.672E+04 /
+IC3H7O2+C2H5=IC3H7O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.628E+13 0.094 2.913E+04 /
+IC3H7O2+IC3H7=2IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.778E+13 0.261 2.980E+04 /
+IC3H7O2+NC3H7=IC3H7O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.644E+13 0.125 2.780E+04 /
+IC3H7O2+C3H5-A=IC3H7O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.242E+09 0.877 1.414E+04 /
+NC3H7O2+CH3=NC3H7O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.303E+12 0.009 2.692E+04 /
+NC3H7O2+C2H5=NC3H7O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+14 -0.592 2.933E+04 /
+NC3H7O2+IC3H7=NC3H7O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.286E+15 -0.425 3.000E+04 /
+NC3H7O2+NC3H7=2NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.612E+14 -0.561 2.800E+04 /
+NC3H7O2+C3H5-A=NC3H7O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.964E+11 0.191 1.434E+04 /
+NC3H7O2H=NC3H7O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.143E+08 1.719 -4.034E+03 /
+IC3H7O2H=IC3H7O+OH +9.450E+15 +0.000 +42600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.0E15 -0.8 0.0 /
+NC3H7O=C2H5+CH2O +2.716E+21 -2.449 +15700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 3.496E+03 /
+NC3H7O=C2H5CHO+H +8.899E+10 +0.746 +19800.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 6.260E+03 /
+IC3H7O=CH3+CH3CHO +5.328E+19 -1.696 +17140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.256E+03 /
+IC3H7O=CH3COCH3+H +8.663E+14 -0.483 +20080.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 7.270E+03 /
+IC3H7O+O2=CH3COCH3+HO2 +9.090E+09 +0.000 +390.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 3.200E+04 /
+NC3H7O2=C3H6OOH1-2 +6.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.117E+08 0.583 1.172E+04 /
+NC3H7O2=C3H6OOH1-3 +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.716E+11 -0.507 8.936E+03 /
+IC3H7O2=C3H6OOH2-1 +1.800E+12 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.122E+10 0.119 1.181E+04 /
+IC3H7O2=C3H6OOH2-2 +1.230E+35 -6.960 +48880.0 ! *:_:* LLNL *:_:*
+ REV/ 2.384E+34 -7.060 4.494E+04 /
+C3H6OOH1-2=C3H6O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.150E+11 0.490 3.837E+04 /
+C3H6OOH1-3=C3H6O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.186E+06 1.765 2.871E+04 /
+C3H6OOH2-1=C3H6O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.780E+08 1.191 3.609E+04 /
+C3H6OOH1-2=C3H6+HO2 +7.834E+15 -1.300 +15950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+C3H6OOH2-1=C3H6+HO2 +3.239E+18 -2.000 +18970.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C3H6OOH1-3=OH+CH2O+C2H4 +3.035E+15 -0.790 +27400.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6OOH2-1=C2H3OOH+CH3 +6.540E+27 -5.140 +38320.0 ! *:_:* LLNL *:_:*
+ REV/ 4.460E+22 -4.240 1.063E+04 /
+C3H6OOH1-2=C2H4+CH2O+OH +1.310E+33 -7.010 +48120.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6OOH2-2=CH3COCH3+OH +9.000E+14 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.021E+14 0.310 3.675E+04 /
+C3H6OOH1-2O2=C3H6OOH1-2+O2 +2.391E+25 -2.945 +40100.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 0.000E+00 /
+C3H6OOH1-3O2=C3H6OOH1-3+O2 +2.853E+20 -1.626 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C3H6OOH2-1O2=C3H6OOH2-1+O2 +5.227E+22 -2.244 +37820.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C3H6OOH1-2O2=C3KET12+OH +6.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.249E+04 1.329 4.892E+04 /
+C3H6OOH1-3O2=C3KET13+OH +7.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.101E+03 1.496 4.474E+04 /
+C3H6OOH2-1O2=C3KET21+OH +3.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.397E+03 1.834 4.975E+04 /
+C3H6OOH2-1O2=C3H51-2,3OOH +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.391E+11 -0.499 8.920E+03 /
+C3H6OOH1-2O2=C3H51-2,3OOH +9.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.913E+12 -0.499 1.392E+04 /
+C3H51-2,3OOH=AC3H5OOH+HO2 +2.560E+13 -0.490 +17770.0 ! *:_:* LLNL *:_:*
+ REV/ 3.180E+15 -1.160 1.204E+04 /
+C3H52-1,3OOH=C3H6OOH1-3O2 +1.255E+12 -0.360 +13940.0 ! *:_:* LLNL *:_:*
+ REV/ 6.000E+11 0.000 2.685E+04 /
+C3H52-1,3OOH=AC3H5OOH+HO2 +1.150E+14 -0.630 +17250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.564E+11 0.120 1.020E+04 /
+C3KET12=CH3CHO+HCO+OH +9.450E+15 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3KET13=CH2O+CH2CHO+OH +1.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3KET21=CH2O+CH3CO+OH +1.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC3H5OOH=C3H5O+OH +3.880E+19 -1.460 +45370.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+C3H5O=C2H3CHO+H +1.000E+14 +0.000 +29100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.676E+14 -0.156 1.969E+04 /
+C3H5O=C2H3+CH2O +1.464E+20 -1.968 +35090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.060E+04 /
+C3H5O+O2=C2H3CHO+HO2 +1.000E+12 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.288E+11 0.000 3.200E+04 /
+C2H3OOH=CH2CHO+OH +8.400E+14 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 0.000E+00 /
+C3H6O1-2=C2H4+CH2O +6.000E+14 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.970E+11 1.000 3.108E+04 /
+C3H6O1-2+OH=CH2O+C2H3+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-2+H=CH2O+C2H3+H2 +2.630E+07 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-2+O=CH2O+C2H3+OH +8.430E+13 +0.000 +5200.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-2+HO2=>CH2O+C2H3+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+C3H6O1-2+CH3O2=CH2O+C2H3+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-2+CH3=CH2O+C2H3+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-3=C2H4+CH2O +6.000E+14 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.970E+11 0.000 3.108E+04 /
+C3H6O1-3+OH=CH2O+C2H3+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-3+O=CH2O+C2H3+OH +8.430E+13 +0.000 +5200.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-3+H=CH2O+C2H3+H2 +2.630E+07 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-3+CH3O2=CH2O+C2H3+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-3+HO2=CH2O+C2H3+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H6O1-3+CH3=CH2O+C2H3+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC3H7O2=C3H6+HO2 +1.015E+43 -9.409 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.954E+33 -7.289 1.667E+04 /
+NC3H7O2=C3H6+HO2 +5.044E+38 -8.112 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.198E+30 -6.229 2.042E+04 /
+C4H10(+M)=2C2H5(+M) +2.720E+15 +0.000 +75610.0 ! *:_:* LLNL *:_:*
+ LOW / 4.7200E+18 0.0000E+00 4.9576E+04 /
+ TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 /
+C4H10(+M)=NC3H7+CH3(+M) +4.280E+14 +0.000 +69900.0 ! *:_:* LLNL *:_:*
+ LOW / 5.3400E+17 0.0000E+00 4.2959E+04 /
+ TROE / 7.2000E-01 1.5000E+03 1.0000E-10 1.0000E+10 /
+C4H10=PC4H9+H +1.344E+17 -0.356 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C4H10=SC4H9+H +1.975E+18 -0.694 +98720.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C4H10+O2=PC4H9+HO2 +6.000E+13 +0.000 +52340.0 ! *:_:* LLNL *:_:*
+ REV/ 3.377E+10 0.284 -1.900E+01 /
+C4H10+O2=SC4H9+HO2 +4.000E+13 +0.000 +49800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.532E+09 0.622 -4.900E+01 /
+C4H10+C3H5-A=PC4H9+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 2.000E+04 /
+C4H10+C3H5-A=SC4H9+C3H6 +3.160E+11 +0.000 +16400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 2.000E+04 /
+C4H10+C2H5=PC4H9+C2H6 +1.580E+11 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 3.560E+10 0.000 1.292E+04 /
+C4H10+C2H5=SC4H9+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.120E+10 0.000 9.917E+03 /
+C4H10+C2H3=PC4H9+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.000 2.538E+04 /
+C4H10+C2H3=SC4H9+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.050E+12 0.000 2.418E+04 /
+C4H10+CH3=PC4H9+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.853E-02 3.836 1.102E+04 /
+C4H10+CH3=SC4H9+CH4 +3.020E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 2.013E-02 3.984 1.186E+04 /
+C4H10+H=PC4H9+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.018E+01 3.382 8.610E+03 /
+C4H10+H=SC4H9+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.900E+01 3.370 9.311E+03 /
+C4H10+OH=PC4H9+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+07 1.496 1.881E+04 /
+C4H10+OH=SC4H9+H2O +9.340E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 7.235E+03 2.474 1.970E+04 /
+C4H10+O=PC4H9+OH +1.130E+14 +0.000 +7850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.480E+13 0.000 1.224E+04 /
+C4H10+O=SC4H9+OH +5.620E+13 +0.000 +5200.0 ! *:_:* LLNL *:_:*
+ REV/ 7.350E+12 0.000 9.590E+03 /
+C4H10+HO2=PC4H9+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.534E+00 3.527 3.490E+03 /
+C4H10+HO2=SC4H9+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 5.343E-01 3.645 2.558E+03 /
+C4H10+CH3O=PC4H9+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.220E+10 0.000 5.000E+04 /
+C4H10+CH3O=SC4H9+CH3OH +6.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.441E+10 0.000 5.000E+04 /
+C4H10+C2H5O=PC4H9+C2H5OH +3.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 9.000E+03 /
+C4H10+C2H5O=SC4H9+C2H5OH +6.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 9.000E+03 /
+C4H10+PC4H9=SC4H9+C4H10 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+C4H10+CH3CO3=PC4H9+CH3CO3H +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+C4H10+CH3CO3=SC4H9+CH3CO3H +1.120E+13 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+C4H10+O2CHO=PC4H9+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 3.680E+00 2.990 2.505E+03 /
+C4H10+O2CHO=SC4H9+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 7.595E+03 2.060 4.266E+03 /
+CH3O2+C4H10=CH3O2H+PC4H9 +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.675E+00 3.462 3.016E+03 /
+CH3O2+C4H10=CH3O2H+SC4H9 +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.675E+00 3.410 2.050E+03 /
+C2H5O2+C4H10=C2H5O2H+PC4H9 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 4.938E+01 3.082 1.899E+03 /
+C2H5O2+C4H10=C2H5O2H+SC4H9 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.041E+01 3.200 9.670E+02 /
+NC3H7O2+C4H10=NC3H7O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+NC3H7O2+C4H10=NC3H7O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC3H7O2+C4H10=IC3H7O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC3H7O2+C4H10=IC3H7O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+PC4H9O2+C3H8=PC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+PC4H9O2+C3H8=PC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+PC4H9O2+C4H10=PC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+PC4H9O2+C4H10=PC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+SC4H9O2+C3H8=SC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+SC4H9O2+C3H8=SC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+SC4H9O2+C4H10=SC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+SC4H9O2+C4H10=SC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+PC4H9=C2H5+C2H4 +3.504E+12 +0.463 +29470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.320E+04 2.480 6.130E+03 /
+SC4H9=C3H6+CH3 +4.803E+10 +1.044 +30350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.760E+04 2.480 6.130E+03 /
+PC4H9=C4H8-1+H +2.622E+12 +0.253 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+SC4H9=C4H8-2+H +2.844E+11 +0.337 +35520.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+SC4H9=C4H8-1+H +3.027E+11 +0.591 +36820.0 ! *:_:* LLNL *:_:*
+ REV/ 4.240E+11 0.510 1.230E+03 /
+PC4H9+O2=C4H8-1+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+SC4H9+O2=C4H8-1+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+SC4H9+O2=C4H8-2+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+C4H8-1=C3H5-A+CH3 +5.081E+19 -1.256 +76510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.350E+13 0.000 0.000E+00 /
+C4H8-1=C2H3+C2H5 +2.882E+23 -1.990 +101600.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+12 0.000 0.000E+00 /
+C4H8-1=H+C4H71-3 +3.724E+14 -0.111 +85200.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+13 0.000 0.000E+00 /
+C4H8-1+O2=C4H71-3+HO2 +2.000E+13 +0.000 +37190.0 ! *:_:* LLNL *:_:*
+ REV/ 4.653E+12 0.070 -1.680E+02 /
+C4H8-1+H=C4H71-1+H2 +7.810E+05 +2.500 +12290.0 ! *:_:* LLNL *:_:*
+ REV/ 2.213E+05 2.360 6.469E+03 /
+C4H8-1+H=C4H71-2+H2 +3.900E+05 +2.500 +5821.0 ! *:_:* LLNL *:_:*
+ REV/ 2.558E+04 2.550 2.125E+03 /
+C4H8-1+H=C4H71-3+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.323E+06 2.100 2.033E+04 /
+C4H8-1+H=C4H71-4+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.045E+04 2.540 1.103E+04 /
+C4H8-1+OH=C4H71-1+H2O +2.140E+06 +2.000 +2778.0 ! *:_:* LLNL *:_:*
+ REV/ 2.625E+06 1.860 1.212E+04 /
+C4H8-1+OH=C4H71-2+H2O +2.220E+06 +2.000 +1451.0 ! *:_:* LLNL *:_:*
+ REV/ 6.304E+05 2.050 1.291E+04 /
+C4H8-1+OH=C4H71-3+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.532E+06 2.380 3.336E+04 /
+C4H8-1+OH=C4H71-4+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.044E+09 0.970 2.101E+04 /
+C4H8-1+CH3=C4H71-3+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.234E+03 3.050 2.461E+04 /
+C4H8-1+CH3=C4H71-4+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.405E-01 3.650 1.191E+04 /
+C4H8-1+HO2=C4H71-3+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.586E+06 1.960 1.435E+04 /
+C4H8-1+HO2=C4H71-4+H2O2 +2.380E+03 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.800E+03 2.220 4.460E+03 /
+C4H8-1+CH3O2=C4H71-3+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.303E+06 1.790 1.133E+04 /
+C4H8-1+CH3O2=C4H71-4+CH3O2H +2.380E+03 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.831E+03 2.040 1.440E+03 /
+C4H8-1+CH3O=C4H71-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.470E+02 2.670 2.700E+04 /
+C4H8-1+CH3O=C4H71-4+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.789E+09 0.020 9.002E+03 /
+C4H8-1+CH3CO3=C4H71-3+CH3CO3H +1.000E+11 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.000E+04 /
+C4H8-1+C3H5-A=C4H71-3+C3H6 +7.900E+10 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.750E+04 /
+C4H8-1+C4H6=2C4H71-3 +2.350E+12 +0.000 +46720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.600E+12 0.000 0.000E+00 /
+C4H8-1+C2H5O2=C4H71-3+C2H5O2H +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+C4H8-1+NC3H7O2=C4H71-3+NC3H7O2H +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+C4H8-1+IC3H7O2=C4H71-3+IC3H7O2H +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+C4H8-1+PC4H9O2=C4H71-3+PC4H9O2H +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+C4H8-1+SC4H9O2=C4H71-3+SC4H9O2H +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+C4H8-1+CH3O2=C4H8O1-2+CH3O +1.000E+12 +0.000 +14340.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8-2=H+C4H71-3 +2.337E+14 +0.143 +87890.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+13 0.000 0.000E+00 /
+C4H8-2+O2=C4H71-3+HO2 +4.000E+13 +0.000 +39390.0 ! *:_:* LLNL *:_:*
+ REV/ 1.350E+13 -0.180 -9.240E+02 /
+C4H8-2+H=C4H71-3+H2 +3.460E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 6.428E+06 1.990 1.966E+04 /
+C4H8-2+OH=C4H71-3+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.019E+08 1.490 3.202E+04 /
+C4H8-2+CH3=C4H71-3+CH4 +4.420E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.145E+03 2.990 2.332E+04 /
+C4H8-2+HO2=C4H71-3+H2O2 +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 9.205E+06 1.770 1.477E+04 /
+C4H8-2+CH3O2=C4H71-3+CH3O2H +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.917E+07 1.590 1.175E+04 /
+C4H8-2+CH3O=C4H71-3+CH3OH +1.800E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.612E+02 2.470 2.742E+04 /
+C4H8-2+C2H5O2=C4H71-3+C2H5O2H +3.200E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.585E+11 0.000 1.470E+04 /
+C4H8-2+NC3H7O2=C4H71-3+NC3H7O2H +3.200E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.585E+11 0.000 1.470E+04 /
+C4H8-2+IC3H7O2=C4H71-3+IC3H7O2H +3.200E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.585E+11 0.000 1.470E+04 /
+C4H8-2+PC4H9O2=C4H71-3+PC4H9O2H +3.200E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.585E+11 0.000 1.470E+04 /
+C4H8-2+SC4H9O2=C4H71-3+SC4H9O2H +3.200E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.585E+11 0.000 1.470E+04 /
+C4H8-1+HO2=C4H8O1-2+OH +1.000E+12 +0.000 +14340.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8-2+HO2=C4H8O2-3+OH +5.620E+11 +0.000 +12310.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8-2+CH3O2=C4H8O2-3+CH3O +5.620E+11 +0.000 +12310.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H8OH=C4H8-1+OH +1.079E+16 -0.699 +28090.0 ! *:_:* LLNL *:_:*
+ REV/ 4.750E+12 0.000 -7.820E+02 /
+SC4H8OH=C4H8-2+OH +3.379E+17 -1.253 +29920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.750E+12 0.000 -7.820E+02 /
+C4H8OH-1O2=PC4H8OH+O2 +6.753E+20 -1.944 +35520.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+C4H8OH-2O2=SC4H8OH+O2 +7.686E+20 -1.968 +35510.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+C4H8OH-1O2=C2H5CHO+CH2O+OH +1.000E+16 +0.000 +25000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OH-2O2=OH+2CH3CHO +1.000E+16 +0.000 +25000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H71-1=C2H2+C2H5 +1.066E+15 -0.560 +30320.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 7.800E+03 /
+C4H71-2=C3H4-A+CH3 +9.589E+14 -0.710 +31260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 7.800E+03 /
+C4H71-4=C2H4+C2H3 +8.766E+12 -0.220 +36290.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 7.800E+03 /
+C4H71-4=C4H6+H +3.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C4H72-2=C3H4-P+CH3 +6.326E+10 +0.520 +30020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+C4H71-3=C4H6+H +1.200E+14 +0.000 +49300.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+13 0.000 1.300E+03 /
+C4H71-3+C2H5=C4H8-1+C2H4 +2.590E+12 +0.000 -131.0 ! *:_:* LLNL *:_:*
+ REV/ 1.149E+13 0.060 4.944E+04 /
+C4H71-3+CH3O=C4H8-1+CH2O +2.410E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.482E+12 0.280 6.633E+04 /
+C4H71-3+O=C2H3CHO+CH3 +6.030E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.385E+15 -0.780 8.163E+04 /
+C4H71-3+HO2=C4H7O+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.290E+15 -1.090 1.553E+04 /
+C4H71-3+CH3O2=C4H7O+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.120E+17 -1.670 2.029E+04 /
+C3H5-A+C4H71-3=C3H6+C4H6 +6.310E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.000E+04 /
+C4H71-3+O2=C4H6+HO2 +1.000E+09 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.700E+04 /
+H+C4H71-3=C4H6+H2 +3.160E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.066E+13 0.000 5.681E+04 /
+C2H5+C4H71-3=C4H6+C2H6 +3.980E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.211E+12 0.000 4.984E+04 /
+C2H3+C4H71-3=C2H4+C4H6 +3.980E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.157E+13 0.000 5.771E+04 /
+C4H71-3+C2H5O2=C4H7O+C2H5O +3.800E+12 +0.000 -1200.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 0.000E+00 /
+IC3H7O2+C4H71-3=IC3H7O+C4H7O +3.800E+12 +0.000 -1200.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 0.000E+00 /
+NC3H7O2+C4H71-3=NC3H7O+C4H7O +3.800E+12 +0.000 -1200.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 0.000E+00 /
+C4H7O=CH3CHO+C2H3 +7.940E+14 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 2.000E+04 /
+C4H7O=C2H3CHO+CH3 +7.940E+14 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 2.000E+04 /
+C4H6=2C2H3 +4.027E+19 -1.000 +98150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.260E+13 0.000 0.000E+00 /
+C4H6+OH=C2H5+CH2CO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.730E+12 0.000 3.002E+04 /
+C4H6+OH=CH2O+C3H5-A +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.501E+06 0.000 7.106E+04 /
+C4H6+OH=C2H3+CH3CHO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.437E+11 0.000 1.855E+04 /
+C4H6+O=C2H4+CH2CO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.377E+11 0.000 9.434E+04 /
+C4H6+O=CH2O+C3H4-A +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.075E+12 0.000 7.905E+04 /
+C2H3+C2H4=C4H6+H +5.000E+11 +0.000 +7300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 4.700E+03 /
+C4H8O1-2+OH=CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-2+H=CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-2+O=CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-2+HO2=CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-2+CH3O2=CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-2+CH3=CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-3+OH=CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-3+H=CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-3+O=CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-3+HO2=CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-3+CH3O2=CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-3+CH3=CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-4+OH=CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-4+H=CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-4+O=CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-4+HO2=CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-4+CH3O2=CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O1-4+CH3=CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O2-3+OH=CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O2-3+H=CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O2-3+O=CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O2-3+HO2=CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O2-3+CH3O2=CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8O2-3+CH3=CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2=PC4H9+O2 +2.849E+20 -1.642 +35930.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+SC4H9O2=SC4H9+O2 +4.329E+22 -2.216 +38160.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+SC4H9O2+CH2O=SC4H9O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+11 0.000 1.000E+04 /
+SC4H9O2+CH3CHO=SC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+SC4H9O2+HO2=SC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.861E+13 -0.796 3.362E+04 /
+IC3H7O2+PC4H9=IC3H7O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.281E+13 0.075 2.748E+04 /
+IC3H7O2+SC4H9=IC3H7O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.942E+15 -0.417 2.919E+04 /
+NC3H7O2+PC4H9=NC3H7O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.056E+15 -0.611 2.768E+04 /
+NC3H7O2+SC4H9=NC3H7O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.825E+17 -1.103 2.939E+04 /
+2SC4H9O2=O2+2SC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+SC4H9O2+NC3H7O2=SC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+SC4H9O2+IC3H7O2=SC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+SC4H9O2+C2H5O2=SC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+SC4H9O2+CH3O2=SC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+SC4H9O2+CH3CO3=SC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+HO2=>PC4H9O+OH+O2 +1.400E-14 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+SC4H9O2+HO2=>SC4H9O+OH+O2 +1.400E-14 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+H2+PC4H9O2=H+PC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.800E+13 0.000 7.950E+03 /
+H2+SC4H9O2=H+SC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.800E+13 0.000 7.950E+03 /
+C2H6+PC4H9O2=C2H5+PC4H9O2H +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+C2H6+SC4H9O2=C2H5+SC4H9O2H +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+PC4H9O2+C2H5CHO=PC4H9O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+09 0.000 1.000E+04 /
+SC4H9O2+C2H5CHO=SC4H9O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+09 0.000 1.000E+04 /
+SC4H9O2+CH3=SC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.176E+13 0.067 2.611E+04 /
+SC4H9O2+C2H5=SC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.672E+15 -0.534 2.852E+04 /
+SC4H9O2+IC3H7=SC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.852E+15 -0.367 2.919E+04 /
+SC4H9O2+NC3H7=SC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.688E+15 -0.503 2.719E+04 /
+SC4H9O2+PC4H9=SC4H9O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.342E+15 -0.553 2.687E+04 /
+SC4H9O2+SC4H9=2SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.048E+17 -1.045 2.858E+04 /
+SC4H9O2+C3H5-A=SC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.356E+11 0.249 1.353E+04 /
+PC4H9O2+CH2O=PC4H9O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+11 0.000 1.000E+04 /
+PC4H9O2+CH3CHO=PC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+PC4H9O2+HO2=PC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.357E+13 -0.813 3.363E+04 /
+C3H6+PC4H9O2=C3H5-A+PC4H9O2H +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+C3H6+SC4H9O2=C3H5-A+SC4H9O2H +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+C2H4+PC4H9O2=C2H3+PC4H9O2H +1.130E+13 +0.000 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 1.150E+04 /
+C2H4+SC4H9O2=C2H3+SC4H9O2H +1.130E+13 +0.000 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 1.150E+04 /
+CH3OH+PC4H9O2=CH2OH+PC4H9O2H +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.000 1.000E+04 /
+CH3OH+SC4H9O2=CH2OH+SC4H9O2H +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.000 1.000E+04 /
+C2H3CHO+PC4H9O2=C2H3CO+PC4H9O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+C2H3CHO+SC4H9O2=C2H3CO+SC4H9O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+CH4+PC4H9O2=CH3+PC4H9O2H +1.120E+13 +0.000 +24640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.430E+11 0.000 5.500E+03 /
+CH4+SC4H9O2=CH3+SC4H9O2H +1.120E+13 +0.000 +24640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.430E+11 0.000 5.500E+03 /
+C4H71-3+PC4H9O2=C4H7O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.186E+14 -0.763 1.610E+04 /
+C4H71-3+SC4H9O2=C4H7O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.251E+14 -0.680 1.558E+04 /
+H2O2+PC4H9O2=HO2+PC4H9O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+H2O2+SC4H9O2=HO2+SC4H9O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2PC4H9O2=O2+2PC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+SC4H9O2=PC4H9O+SC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+NC3H7O2=PC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+IC3H7O2=PC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+C2H5O2=PC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+CH3O2=PC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+CH3CO3=PC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC4H9O2+CH3=PC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.199E+12 -0.015 2.663E+04 /
+PC4H9O2+C2H5=PC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.813E+14 -0.617 2.904E+04 /
+PC4H9O2+IC3H7=PC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.503E+15 -0.450 2.971E+04 /
+PC4H9O2+NC3H7=PC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.898E+14 -0.586 2.771E+04 /
+PC4H9O2+PC4H9=2PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.235E+15 -0.636 2.739E+04 /
+PC4H9O2+SC4H9=PC4H9O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.134E+17 -1.128 2.910E+04 /
+PC4H9O2+C3H5-A=PC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.296E+11 0.167 1.405E+04 /
+PC4H9+HO2=PC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.630E+15 -0.743 2.500E+04 /
+SC4H9+HO2=SC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.491E+18 -1.234 2.671E+04 /
+CH3O2+PC4H9=CH3O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.398E+14 -0.444 2.924E+04 /
+CH3O2+SC4H9=CH3O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.329E+16 -0.936 3.095E+04 /
+PC4H9O2H=PC4H9O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.178E+08 1.712 -4.342E+03 /
+SC4H9O2H=SC4H9O+OH +9.450E+15 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.0E15 -0.8 0.0 /
+PC4H9O=NC3H7+CH2O +1.558E+21 -2.444 +15230.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 3.457E+03 /
+SC4H9O=CH3+C2H5CHO +4.381E+16 -0.893 +15200.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 9.043E+03 /
+SC4H9O=C2H5+CH3CHO +5.489E+22 -2.757 +12650.0 ! *:_:* LLNL *:_:*
+ REV/ 3.330E+10 0.000 6.397E+03 /
+PC4H9O2=C4H8OOH1-2 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.597E+08 0.339 1.197E+04 /
+PC4H9O2=C4H8OOH1-3 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.231E+09 -0.136 7.871E+03 /
+PC4H9O2=C4H8OOH1-4 +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.269E+10 -0.523 6.900E+03 /
+SC4H9O2=C4H8OOH2-1 +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.442E+11 -0.511 1.394E+04 /
+SC4H9O2=C4H8OOH2-3 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.994E+10 -0.196 1.393E+04 /
+SC4H9O2=C4H8OOH2-4 +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.302E+10 -0.511 8.944E+03 /
+PC4H9O2=C4H8-1+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.599E+30 -6.283 2.035E+04 /
+SC4H9O2=C4H8-1+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.595E+33 -7.347 1.661E+04 /
+SC4H9O2=C4H8-2+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.618E+29 -5.793 1.830E+04 /
+C4H8OOH1-2=C4H8-1+HO2 +8.828E+16 -1.488 +16260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+C4H8OOH2-1=C4H8-1+HO2 +4.851E+20 -2.574 +21180.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C4H8OOH2-3=C4H8-2+HO2 +6.224E+19 -2.513 +21020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C4H8OOH1-2=C4H8O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH1-3=C4H8O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH1-4=C4H8O1-4+OH +9.375E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH2-1=C4H8O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH2-3=C4H8O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH2-4=C4H8O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH1-1=NC3H7CHO+OH +9.000E+14 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.733E+08 1.890 3.347E+04 /
+C4H8OOH2-2=C2H5COCH3+OH +9.000E+14 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+10 1.340 3.551E+04 /
+C4H8OOH1-3=OH+CH2O+C3H6 +6.635E+13 -0.160 +29900.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH2-4=OH+CH3CHO+C2H4 +1.945E+18 -1.630 +26790.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8OOH1-2O2=C4H8OOH1-2+O2 +2.586E+24 -2.709 +39860.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C4H8OOH1-3O2=C4H8OOH1-3+O2 +5.601E+22 -2.234 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C4H8OOH1-4O2=C4H8OOH1-4+O2 +2.569E+20 -1.611 +35680.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C4H8OOH2-1O2=C4H8OOH2-1+O2 +2.821E+20 -1.622 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C4H8OOH2-3O2=C4H8OOH2-3+O2 +4.516E+22 -2.218 +37880.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C4H8OOH2-4O2=C4H8OOH2-4+O2 +2.821E+20 -1.622 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C4H8OOH1-2O2=NC4KET12+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.199E+04 1.323 4.893E+04 /
+C4H8OOH1-3O2=NC4KET13+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.435E+03 1.486 4.474E+04 /
+C4H8OOH1-4O2=NC4KET14+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.726E+02 1.494 4.269E+04 /
+C4H8OOH2-1O2=NC4KET21+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.626E+02 1.835 5.005E+04 /
+C4H8OOH2-3O2=NC4KET23+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.739E+03 1.731 4.913E+04 /
+C4H8OOH2-4O2=NC4KET24+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.021E+02 1.843 4.392E+04 /
+NC4KET12=C2H5CHO+HCO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4KET13=CH3CHO+CH2CHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4KET14=CH2CH2CHO+CH2O+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4KET21=CH2O+C2H5CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4KET23=CH3CHO+CH3CO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4KET24=CH2O+CH3COCH2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C2H5COCH3+OH=CH2CH2COCH3+H2O +7.550E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.527E+09 0.960 2.102E+04 /
+C2H5COCH3+OH=CH3CHCOCH3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.586E+13 -0.230 2.862E+04 /
+C2H5COCH3+OH=C2H5COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.628E+13 -0.700 2.767E+04 /
+C2H5COCH3+HO2=CH2CH2COCH3+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.857E+04 2.220 4.459E+03 /
+C2H5COCH3+HO2=CH3CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.229E+13 -0.550 6.080E+03 /
+C2H5COCH3+HO2=C2H5COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.836E+07 1.520 9.702E+03 /
+C2H5COCH3+O=CH2CH2COCH3+OH +2.250E+13 +0.000 +7700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.616E+11 -0.010 9.882E+03 /
+C2H5COCH3+O=CH3CHCOCH3+OH +3.070E+13 +0.000 +3400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.847E+13 -0.230 1.500E+04 /
+C2H5COCH3+O=C2H5COCH2+OH +5.000E+12 +0.000 +5962.0 ! *:_:* LLNL *:_:*
+ REV/ 6.592E+13 -0.700 1.519E+04 /
+C2H5COCH3+H=CH2CH2COCH3+H2 +9.160E+06 +2.000 +7700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.279E+05 1.990 1.198E+04 /
+C2H5COCH3+H=CH3CHCOCH3+H2 +4.460E+06 +2.000 +3200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.934E+07 1.770 1.689E+04 /
+C2H5COCH3+H=C2H5COCH2+H2 +9.300E+12 +0.000 +6357.0 ! *:_:* LLNL *:_:*
+ REV/ 2.792E+14 -0.700 1.768E+04 /
+C2H5COCH3+O2=CH2CH2COCH3+HO2 +2.050E+13 +0.000 +51310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.740E+10 0.320 -1.895E+03 /
+C2H5COCH3+O2=CH3CHCOCH3+HO2 +1.550E+13 +0.000 +41970.0 ! *:_:* LLNL *:_:*
+ REV/ 1.221E+12 0.100 -1.822E+03 /
+C2H5COCH3+O2=C2H5COCH2+HO2 +2.050E+13 +0.000 +49150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.118E+13 -0.370 2.988E+03 /
+C2H5COCH3+CH3=CH2CH2COCH3+CH4 +3.190E+01 +3.170 +7172.0 ! *:_:* LLNL *:_:*
+ REV/ 3.893E+01 3.160 1.193E+04 /
+C2H5COCH3+CH3=CH3CHCOCH3+CH4 +1.740E+00 +3.460 +3680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.971E+02 3.230 1.785E+04 /
+C2H5COCH3+CH3=C2H5COCH2+CH4 +1.620E+11 +0.000 +9630.0 ! *:_:* LLNL *:_:*
+ REV/ 1.270E+14 -0.700 2.143E+04 /
+C2H5COCH3+CH3O=CH2CH2COCH3+CH3OH +2.170E+11 +0.000 +6460.0 ! *:_:* LLNL *:_:*
+ REV/ 4.887E+09 0.020 9.007E+03 /
+C2H5COCH3+CH3O=CH3CHCOCH3+CH3OH +1.450E+11 +0.000 +2771.0 ! *:_:* LLNL *:_:*
+ REV/ 3.031E+11 -0.200 1.473E+04 /
+C2H5COCH3+CH3O=C2H5COCH2+CH3OH +2.170E+11 +0.000 +4660.0 ! *:_:* LLNL *:_:*
+ REV/ 3.140E+12 -0.680 1.425E+04 /
+C2H5COCH3+CH3O2=CH2CH2COCH3+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 7.525E+12 -0.510 4.329E+03 /
+C2H5COCH3+CH3O2=CH3CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 4.641E+14 -0.730 9.612E+03 /
+C2H5COCH3+CH3O2=C2H5COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 4.836E+15 -1.200 9.572E+03 /
+C2H5COCH3+C2H3=CH2CH2COCH3+C2H4 +5.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.436E+08 0.820 1.403E+04 /
+C2H5COCH3+C2H3=CH3CHCOCH3+C2H4 +3.000E+11 +0.000 +3400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.914E+10 0.600 1.644E+04 /
+C2H5COCH3+C2H3=C2H5COCH2+C2H4 +6.150E+10 +0.000 +4278.0 ! *:_:* LLNL *:_:*
+ REV/ 2.716E+10 0.130 1.495E+04 /
+C2H5COCH3+C2H5=CH2CH2COCH3+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.549E+12 -0.570 1.399E+04 /
+C2H5COCH3+C2H5=CH3CHCOCH3+C2H6 +3.000E+10 +0.000 +8600.0 ! *:_:* LLNL *:_:*
+ REV/ 5.319E+14 -0.790 1.860E+04 /
+C2H5COCH3+C2H5=C2H5COCH2+C2H6 +5.000E+10 +0.000 +11600.0 ! *:_:* LLNL *:_:*
+ REV/ 6.136E+15 -1.260 1.923E+04 /
+CH3CHOOCOCH3=CH3CHCOCH3+O2 +1.372E+17 -1.690 +28460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 0.000E+00 /
+CH3CHOOCOCH3=CH2CHOOHCOCH3 +8.900E+12 +0.000 +29700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.703E+13 -0.520 1.696E+04 /
+CH2CHOOHCOCH3=C2H3COCH3+HO2 +2.026E+19 -2.350 +14130.0 ! *:_:* LLNL *:_:*
+ REV/ 7.000E+10 0.000 7.800E+03 /
+CH2CH2CHO=C2H4+HCO +3.127E+13 -0.520 +24590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 8.300E+03 /
+CH2CH2COCH3=C2H4+CH3CO +1.000E+14 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 0.000E+00 /
+C2H5COCH2=CH2CO+C2H5 +1.000E+14 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 0.000E+00 /
+CH3CHCOCH3=C2H3COCH3+H +3.417E+16 -0.820 +41770.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 1.200E+03 /
+CH3CHCOCH3=CH3CHCO+CH3 +1.406E+15 -0.440 +38340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 7.800E+03 /
+NC3H7CHO+O2=NC3H7CO+HO2 +1.200E+05 +2.500 +37560.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+07 0.500 4.000E+03 /
+NC3H7CHO+OH=NC3H7CO+H2O +2.000E+06 +1.800 -1300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.553E+04 2.320 2.805E+04 /
+NC3H7CHO+H=NC3H7CO+H2 +4.140E+09 +1.120 +2320.0 ! *:_:* LLNL *:_:*
+ REV/ 3.030E+06 1.746 1.678E+04 /
+NC3H7CHO+O=NC3H7CO+OH +5.940E+12 +0.000 +1868.0 ! *:_:* LLNL *:_:*
+ REV/ 2.258E+09 0.607 1.492E+04 /
+NC3H7CHO+HO2=NC3H7CO+H2O2 +4.090E+04 +2.500 +10200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.733E+04 2.431 8.662E+03 /
+NC3H7CHO+CH3=NC3H7CO+CH4 +2.890E-03 +4.620 +3210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.930E-03 4.800 1.921E+04 /
+NC3H7CHO+CH3O=NC3H7CO+CH3OH +1.000E+12 +0.000 +3300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.572E+10 0.413 1.799E+04 /
+NC3H7CHO+CH3O2=NC3H7CO+CH3O2H +4.090E+04 +2.500 +10200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.371E+05 1.986 7.067E+03 /
+NC3H7CHO+OH=C3H6CHO-1+H2O +5.280E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+07 1.494 1.882E+04 /
+NC3H7CHO+OH=C3H6CHO-2+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 9.102E+03 2.444 1.974E+04 /
+NC3H7CHO+OH=C3H6CHO-3+H2O +5.520E+02 +3.120 -1176.0 ! *:_:* LLNL *:_:*
+ REV/ 1.428E+02 3.400 2.551E+04 /
+NC3H7CHO+HO2=C3H6CHO-1+H2O2 +2.379E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.025E+03 2.485 2.834E+03 /
+NC3H7CHO+HO2=C3H6CHO-2+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.023E+02 2.845 2.791E+03 /
+NC3H7CHO+HO2=C3H6CHO-3+H2O2 +3.440E+12 +0.050 +17880.0 ! *:_:* LLNL *:_:*
+ REV/ 4.855E+13 -0.259 1.366E+04 /
+NC3H7CHO+CH3O2=C3H6CHO-1+CH3O2H +2.379E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.885E+04 2.040 1.239E+03 /
+NC3H7CHO+CH3O2=C3H6CHO-2+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+03 2.400 1.196E+03 /
+NC3H7CHO+CH3O2=C3H6CHO-3+CH3O2H +3.440E+12 +0.050 +17880.0 ! *:_:* LLNL *:_:*
+ REV/ 9.445E+14 -0.704 1.207E+04 /
+NC3H7CO=NC3H7+CO +1.000E+11 +0.000 +9600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.193E+03 1.763 -1.100E+03 /
+C3H6CHO-1=C2H4+CH2CHO +7.400E+11 +0.000 +21970.0 ! *:_:* LLNL *:_:*
+ REV/ 2.110E+11 0.000 7.350E+03 /
+C3H6CHO-3=C2H5CHCO+H +8.431E+15 -0.600 +40400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 1.200E+03 /
+C3H6CHO-3=C2H3CHO+CH3 +3.174E+14 -0.390 +29900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 7.800E+03 /
+C3H6CHO-2=SC3H5CHO+H +4.947E+12 -0.150 +31300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 2.900E+03 /
+C3H6CHO-2=C3H6+HCO +8.249E+12 -0.180 +21900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+C2H5CHCO+OH=NC3H7+CO2 +3.730E+12 +0.000 -1010.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C2H5CHCO+H=NC3H7+CO +4.400E+12 +0.000 +1459.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C2H5CHCO+O=C3H6+CO2 +3.200E+12 +0.000 -437.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+SC3H5CHO+OH=SC3H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 4.831E+10 0.770 3.709E+04 /
+SC3H5CO=C3H5-S+CO +8.600E+15 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+SC3H5CHO+HO2=SC3H5CO+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.066E+13 -0.320 1.789E+04 /
+SC3H5CHO+CH3=SC3H5CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.313E+13 0.010 3.146E+04 /
+SC3H5CHO+O=SC3H5CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* LLNL *:_:*
+ REV/ 1.308E+12 0.010 2.157E+04 /
+SC3H5CHO+O2=SC3H5CO+HO2 +4.000E+13 +0.000 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 3.014E+11 0.340 2.394E+03 /
+SC3H5CHO+H=SC3H5CO+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.079E+12 0.010 2.488E+04 /
+C2H3COCH3+OH=>CH3CHO+CH3CO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C2H3COCH3+OH=>CH2CO+C2H3+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+C2H3COCH3+HO2=>CH2CHO+CH3CO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* LLNL *:_:*
+C2H3COCH3+HO2=>CH2CO+C2H3+H2O2 +8.500E+12 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+C2H3COCH3+CH3O2=>CH2CHO+CH3CO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+C2H3COCH3+CH3O2=>CH2CO+C2H3+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+IC4H10(+M)=CH3+IC3H7(+M) +4.830E+16 +0.000 +79900.0 ! *:_:* LLNL *:_:*
+ LOW / 2.4100E+19 0.0000E+00 5.2576E+04 /
+ TROE / 2.5000E-01 7.5000E+02 1.0000E-10 1.0000E+10 /
+IC4H10=TC4H9+H +2.510E+98 -23.810 +145300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.131E+93 -22.873 4.839E+04 /
+IC4H10=IC4H9+H +9.850E+95 -23.110 +147600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.248E+92 -22.752 4.636E+04 /
+IC4H10+H=TC4H9+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 1.084E+00 3.613 9.213E+03 /
+IC4H10+H=IC4H9+H2 +1.810E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 1.651E+02 3.174 9.096E+03 /
+IC4H10+CH3=TC4H9+CH4 +9.040E-01 +3.460 +4598.0 ! *:_:* LLNL *:_:*
+ REV/ 1.485E-03 4.227 1.277E+04 /
+IC4H10+CH3=IC4H9+CH4 +1.360E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.132E-01 3.838 1.103E+04 /
+IC4H10+OH=TC4H9+H2O +2.925E+04 +2.531 -1659.0 ! *:_:* LLNL *:_:*
+ REV/ 5.584E-01 3.638 1.986E+04 /
+IC4H10+OH=IC4H9+H2O +6.654E+04 +2.665 -168.9 ! *:_:* LLNL *:_:*
+ REV/ 6.437E+01 3.193 1.706E+04 /
+IC4H10+C2H5=IC4H9+C2H6 +1.510E+12 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC4H10+C2H5=TC4H9+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+IC4H10+HO2=IC4H9+H2O2 +6.120E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 3.231E+00 3.529 3.500E+03 /
+IC4H10+HO2=TC4H9+H2O2 +4.332E+02 +3.010 +12090.0 ! *:_:* LLNL *:_:*
+ REV/ 4.513E-01 3.528 2.723E+03 /
+IC4H10+O=TC4H9+OH +1.968E+05 +2.402 +1150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.839E-01 3.596 6.368E+03 /
+IC4H10+O=IC4H9+OH +4.046E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 1.916E+03 2.649 6.064E+03 /
+IC4H10+CH3O=IC4H9+CH3OH +4.800E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.402E+08 0.421 9.567E+03 /
+IC4H10+CH3O=TC4H9+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 7.344E+05 1.000 9.657E+03 /
+IC4H10+O2=IC4H9+HO2 +9.000E+13 +0.000 +52290.0 ! *:_:* LLNL *:_:*
+ REV/ 4.306E+10 0.286 -5.900E+01 /
+IC4H10+O2=TC4H9+HO2 +1.000E+13 +0.000 +48200.0 ! *:_:* LLNL *:_:*
+ REV/ 9.442E+07 0.865 1.410E+02 /
+IC4H10+CH3O2=IC4H9+CH3O2H +2.079E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.135E+00 3.464 3.026E+03 /
+IC4H10+C2H5O2=IC4H9+C2H5O2H +2.550E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.623E+13 -0.506 5.208E+03 /
+IC4H10+CH3CO3=IC4H9+CH3CO3H +2.550E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.147E+12 -0.009 9.570E+03 /
+IC4H10+NC3H7O2=IC4H9+NC3H7O2H +2.550E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.678E+13 -0.509 5.000E+03 /
+IC4H10+IC3H7O2=IC4H9+IC3H7O2H +2.550E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.688E+13 -0.510 5.000E+03 /
+IC4H10+IC4H9O2=IC4H9+IC4H9O2H +2.550E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.679E+13 -0.509 5.010E+03 /
+IC4H10+TC4H9O2=IC4H9+TC4H9O2H +2.550E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.684E+13 -0.510 5.010E+03 /
+IC4H10+O2CHO=IC4H9+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.006E+00 3.060 2.375E+03 /
+IC4H10+O2CHO=TC4H9+HO2CHO +2.800E+12 +0.000 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.893E+01 2.720 4.678E+03 /
+IC4H10+SC4H9O2=IC4H9+SC4H9O2H +2.250E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H10+SC4H9O2=TC4H9+SC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H10+PC4H9O2=IC4H9+PC4H9O2H +2.250E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H10+PC4H9O2=TC4H9+PC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H10+CH3O2=TC4H9+CH3O2H +1.366E+02 +3.120 +13190.0 ! *:_:* LLNL *:_:*
+ REV/ 2.769E+00 3.193 2.228E+03 /
+IC4H10+C2H5O2=TC4H9+C2H5O2H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.000E+04 /
+IC4H10+CH3CO3=TC4H9+CH3CO3H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.000E+04 /
+IC4H10+NC3H7O2=TC4H9+NC3H7O2H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.000E+04 /
+IC4H10+IC3H7O2=TC4H9+IC3H7O2H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.000E+04 /
+IC4H10+IC4H9O2=TC4H9+IC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.000E+04 /
+IC4H10+TC4H9O2=TC4H9+TC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.000E+04 /
+IC4H10+IC4H9=TC4H9+IC4H10 +2.500E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+IC4H9+HO2=IC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.712E+15 -0.658 2.654E+04 /
+TC4H9+HO2=TC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.083E+18 -1.329 2.865E+04 /
+CH3O2+IC4H9=CH3O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.322E+14 -0.359 3.078E+04 /
+CH3O2+TC4H9=CH3O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.554E+17 -1.030 3.289E+04 /
+IC4H9=IC4H8+H +3.371E+13 +0.124 +33660.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.510 2.620E+03 /
+IC4H9=C3H6+CH3 +9.504E+11 +0.773 +30700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.890E+03 2.670 6.850E+03 /
+TC4H9=H+IC4H8 +1.128E+12 +0.703 +36560.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+12 0.510 1.230E+03 /
+TC4H9+O2=IC4H8+HO2 +8.370E-01 +3.590 +11960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.648E+00 3.325 2.550E+04 /
+IC4H9+O2=IC4H8+HO2 +1.070E+00 +3.710 +9322.0 ! *:_:* LLNL *:_:*
+ REV/ 4.158E-02 4.024 2.715E+04 /
+NC3H7O2+IC4H9=NC3H7O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.543E+14 -0.526 2.922E+04 /
+NC3H7O2+TC4H9=NC3H7O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.997E+17 -1.197 3.133E+04 /
+NC3H7O2+IC4H7=NC3H7O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.183E+11 0.182 1.350E+04 /
+SC4H9O2+IC4H9=SC4H9O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.007E+15 -0.468 2.841E+04 /
+SC4H9O2+TC4H9=SC4H9O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.108E+18 -1.139 3.052E+04 /
+PC4H9O2+IC4H9=PC4H9O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.310E+14 -0.551 2.893E+04 /
+PC4H9O2+TC4H9=PC4H9O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.841E+17 -1.222 3.104E+04 /
+PC4H9O2+IC4H7=PC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.890E+11 0.157 1.321E+04 /
+SC4H9O2+IC4H7=SC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.277E+11 0.240 1.269E+04 /
+IC4H9O2=IC4H9+O2 +6.640E+19 -1.575 +36080.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+TC4H9O2=TC4H9+O2 +3.331E+24 -2.472 +37870.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+IC4H9O2+C4H10=IC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+TC4H9O2+C4H10=TC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H9O2+C4H10=IC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+TC4H9O2+C4H10=TC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC3H7O2+IC4H9=IC3H7O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.811E+12 0.160 2.902E+04 /
+IC3H7O2+TC4H9=IC3H7O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.079E+16 -0.511 3.113E+04 /
+IC3H7O2+IC4H7=IC3H7O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.035E+09 0.868 1.330E+04 /
+IC4H9O2+C3H6=IC4H9O2H+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+TC4H9O2+C3H6=TC4H9O2H+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 1.500E+04 /
+IC4H9O2+IC4H8=IC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+TC4H9O2+IC4H8=TC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+PC4H9O2+IC4H8=PC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+SC4H9O2+IC4H8=SC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+IC3H7O2+IC4H8=IC3H7O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+NC3H7O2+IC4H8=NC3H7O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+IC4H9O2+C4H8-1=IC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+TC4H9O2+C4H8-1=TC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+IC4H9O2+C4H8-2=IC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+TC4H9O2+C4H8-2=TC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.160E+11 0.000 1.300E+04 /
+CC4H8O+OH=CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC4H8O+H=CH2O+C3H5-A+H2 +3.510E+07 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC4H8O+O=CH2O+C3H5-A+OH +1.124E+14 +0.000 +5200.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC4H8O+HO2=CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC4H8O+CH3O2=CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC4H8O+CH3=CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C2H4+TC4H9O2=C2H3+TC4H9O2H +7.000E+11 +0.000 +17110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.000E+04 /
+TC4H9O2+CH4=TC4H9O2H+CH3 +1.130E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+08 0.000 1.280E+03 /
+H2+TC4H9O2=H+TC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.800E+13 0.000 7.950E+03 /
+TC4H9O2+C2H6=TC4H9O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+TC4H9O2+C3H8=TC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+TC4H9O2+C3H8=TC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+TC4H9O2+CH3OH=TC4H9O2H+CH2OH +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.000 1.000E+04 /
+TC4H9O2+C2H5OH=TC4H9O2H+PC2H4OH +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 3.061E+12 0.000 2.210E+04 /
+TC4H9O2+C2H5OH=TC4H9O2H+SC2H4OH +4.200E+12 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.040E+12 0.000 1.774E+04 /
+IC4H9O2+CH3CHO=IC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+TC4H9O2+CH3CHO=TC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+IC4H9O2+C2H3CHO=IC4H9O2H+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+TC4H9O2+C2H3CHO=TC4H9O2H+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+IC4H9O2+C2H5CHO=IC4H9O2H+C2H5CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+TC4H9O2+C2H5CHO=TC4H9O2H+C2H5CO +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 1.000E+04 /
+IC4H9O2+HO2=IC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.843E+13 -0.795 3.362E+04 /
+TC4H9O2+HO2=TC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.850E+13 -0.795 3.362E+04 /
+IC4H9O2+H2O2=IC4H9O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+TC4H9O2+H2O2=TC4H9O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+IC4H9O2+CH2O=IC4H9O2H+HCO +1.300E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 1.010E+04 /
+TC4H9O2+CH2O=TC4H9O2H+HCO +1.300E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 1.010E+04 /
+IC4H9O2+CH3O2=IC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+CH3O2=TC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+C2H5O2=IC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+C2H5O2=TC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+CH3CO3=IC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+CH3CO3=TC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2IC4H9O2=O2+2IC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+TC4H9O2=IC4H9O+TC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2TC4H9O2=O2+2TC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+PC4H9O2=IC4H9O+PC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+PC4H9O2=TC4H9O+PC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+SC4H9O2=IC4H9O+SC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+SC4H9O2=TC4H9O+SC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+NC3H7O2=IC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+NC3H7O2=TC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+IC3H7O2=IC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+IC3H7O2=TC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+HO2=IC4H9O+OH+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9O2+HO2=TC4H9O+OH+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2+CH3=IC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.720E+12 0.003 2.802E+04 /
+IC4H9O2+C2H5=IC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.133E+14 -0.599 3.043E+04 /
+IC4H9O2+IC3H7=IC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.387E+15 -0.432 3.110E+04 /
+IC4H9O2+NC3H7=IC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.212E+14 -0.568 2.910E+04 /
+IC4H9O2+PC4H9=IC4H9O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.139E+15 -0.618 2.878E+04 /
+IC4H9O2+SC4H9=IC4H9O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.969E+17 -1.110 3.049E+04 /
+IC4H9O2+IC4H9=2IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.900E+14 -0.533 3.032E+04 /
+IC4H9O2+TC4H9=IC4H9O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.390E+17 -1.204 3.243E+04 /
+IC4H9O2+C3H5-A=IC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.119E+11 0.184 1.544E+04 /
+IC4H9O2+C4H71-3=IC4H9O+C4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.095E+14 -0.745 1.749E+04 /
+IC4H9O2+IC4H7=IC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.512E+11 0.175 1.460E+04 /
+TC4H9O2+CH3=TC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.824E+11 0.229 2.834E+04 /
+TC4H9O2+C2H5=TC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.112E+14 -0.372 3.075E+04 /
+TC4H9O2+IC3H7=TC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.898E+14 -0.206 3.142E+04 /
+TC4H9O2+NC3H7=TC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.123E+14 -0.341 2.942E+04 /
+TC4H9O2+PC4H9=TC4H9O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.558E+14 -0.392 2.910E+04 /
+TC4H9O2+SC4H9=TC4H9O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.693E+16 -0.883 3.081E+04 /
+TC4H9O2+IC4H9=TC4H9O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.703E+13 -0.307 3.064E+04 /
+TC4H9O2+TC4H9=2TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.373E+16 -0.978 3.275E+04 /
+TC4H9O2+C3H5-A=TC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.898E+10 0.411 1.576E+04 /
+TC4H9O2+C4H71-3=TC4H9O+C4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.497E+13 -0.519 1.781E+04 /
+TC4H9O2+IC4H7=TC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.172E+10 0.401 1.492E+04 /
+IC4H9O2+C2H4=IC4H9O2H+C2H3 +2.000E+11 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+10 0.000 8.000E+03 /
+IC4H9O2+CH4=IC4H9O2H+CH3 +1.130E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+08 0.000 1.280E+03 /
+H2+IC4H9O2=H+IC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.800E+13 0.000 7.950E+03 /
+IC4H9O2+C2H6=IC4H9O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H9O2+C3H8=IC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H9O2+C3H8=IC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+11 0.000 6.500E+03 /
+IC4H9O2+CH3OH=IC4H9O2H+CH2OH +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.000 1.000E+04 /
+IC4H9O2+C2H5OH=IC4H9O2H+PC2H4OH +6.300E+12 +0.000 +19360.0 ! *:_:* LLNL *:_:*
+ REV/ 3.061E+12 0.000 2.210E+04 /
+IC4H9O2+C2H5OH=IC4H9O2H+SC2H4OH +4.200E+12 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.040E+12 0.000 1.774E+04 /
+IC4H9O2H=IC4H9O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.233E+08 1.712 -2.942E+03 /
+TC4H9O2H=TC4H9O+OH +5.950E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 6.677E+06 1.939 -2.582E+03 /
+IC4H9O+HO2=IC3H7CHO+H2O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.380E+13 -0.250 7.213E+04 /
+IC4H9O+OH=IC3H7CHO+H2O +1.810E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.209E+13 0.080 1.036E+05 /
+IC4H9O+CH3=IC3H7CHO+CH4 +2.400E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.368E+14 0.080 8.892E+04 /
+IC4H9O+O=IC3H7CHO+OH +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.415E+12 0.080 8.635E+04 /
+IC4H9O+H=IC3H7CHO+H2 +1.990E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.069E+13 0.080 8.844E+04 /
+IC4H9O=IC3H7CHO+H +4.000E+14 +0.000 +21500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.139E+10 1.080 2.500E+03 /
+IC4H9O=CH2O+IC3H7 +2.000E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.877E+02 2.796 4.591E+03 /
+TC4H9O=CH3COCH3+CH3 +9.558E+22 -2.548 +18650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.190E+04 /
+IC4H9O+O2=IC3H7CHO+HO2 +1.930E+11 +0.000 +1660.0 ! *:_:* LLNL *:_:*
+ REV/ 7.026E+08 0.564 3.320E+04 /
+TC4H9O+O2=IC4H8O+HO2 +8.100E+11 +0.000 +4700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 3.200E+04 /
+IC4H8O=IC3H7CHO +4.180E+13 +0.000 +52720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.392E+10 0.550 7.205E+04 /
+IC4H8O+OH=IC3H6CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.609E+05 1.069 3.656E+04 /
+IC4H8O+H=IC3H6CHO+H2 +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.063E+04 1.175 2.167E+04 /
+IC4H8O+HO2=IC3H6CHO+H2O2 +2.500E+12 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.049E+08 0.480 2.066E+04 /
+IC4H8O+CH3O2=IC3H6CHO+CH3O2H +2.500E+12 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.040E+09 0.036 2.307E+04 /
+IC4H8O+CH3=IC3H6CHO+CH4 +5.000E+10 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.307E+06 0.729 3.321E+04 /
+IC4H8O+O=IC3H6CHO+OH +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.704E+04 1.156 2.025E+04 /
+IC3H7CHO=TC3H6CHO+H +2.304E+18 -0.910 +92000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+14 0.000 0.000E+00 /
+IC3H7CHO=IC3H7+HCO +1.129E+17 -0.030 +79760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.810E+13 0.000 0.000E+00 /
+IC3H7CHO+HO2=IC3H7CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 7.987E+11 -0.062 1.036E+04 /
+IC3H7CHO+HO2=TC3H6CHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.366E+12 -0.420 1.105E+04 /
+IC3H7CHO+CH3=IC3H7CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.325E+13 -0.060 2.563E+04 /
+IC3H7CHO+O=IC3H7CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* LLNL *:_:*
+ REV/ 7.052E+11 -0.060 1.574E+04 /
+IC3H7CHO+O2=IC3H7CO+HO2 +4.000E+13 +0.000 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.625E+11 0.270 -3.432E+03 /
+IC3H7CHO+OH=IC3H7CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.164E+10 0.750 3.120E+04 /
+IC3H7CHO+OH=TC3H6CHO+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.194E+13 -0.090 2.981E+04 /
+IC3H7CHO+H=IC3H7CO+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.196E+09 0.633 1.704E+04 /
+IC3H7CHO+OH=IC3H6CHO+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 6.388E+05 1.990 1.913E+04 /
+IC3H7CHO+HO2=IC3H6CHO+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.330E+04 2.210 3.468E+03 /
+IC3H7CHO+CH3O2=IC3H6CHO+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.377E+05 2.040 3.742E+03 /
+IC3H7CO=IC3H7+CO +2.869E+20 -2.194 +14970.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC3H6CHO=C3H6+HCO +1.031E+15 -0.620 +23170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+IC3H6CHO=C2H3CHO+CH3 +2.425E+13 -0.270 +22470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+IC4H8OH=IC4H8+OH +9.232E+14 -0.562 +28050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.930E+11 0.000 -9.600E+02 /
+IO2C4H8OH=IC4H8OH+O2 +1.917E+21 -2.347 +35790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+11 0.000 -1.100E+03 /
+IO2C4H8OH=CH3COCH3+CH2O+OH +1.250E+10 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H9O2=IC4H8O2H-I +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.815E+11 -0.507 8.946E+03 /
+TC4H9O2=TC4H8O2H-I +9.000E+11 +0.000 +34500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.027E+09 0.123 1.694E+04 /
+IC4H9O2=IC4H8O2H-T +1.000E+11 +0.000 +29200.0 ! *:_:* LLNL *:_:*
+ REV/ 5.085E+06 0.780 1.588E+04 /
+IC4H9O2=IC4H8+HO2 +2.265E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.996E+26 -5.331 2.124E+04 /
+TC4H9O2=IC4H8+HO2 +7.612E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.344E+31 -7.203 1.716E+04 /
+IC4H8OOH-IO2=IC4H8O2H-I+O2 +1.440E+20 -1.627 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+TC4H8OOH-IO2=TC4H8O2H-I+O2 +5.167E+22 -2.257 +37800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+IC4H8OOH-TO2=IC4H8O2H-T+O2 +2.266E+27 -3.233 +39640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+IC4H8OOH-IO2=IC4KETII+OH +5.000E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.986E+03 1.455 4.442E+04 /
+IC4H8OOH-TO2=IC4KETIT+OH +4.000E+11 +0.000 +31500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.910E+05 1.240 5.383E+04 /
+TC4H8OOH-IO2=TIC4H7Q2-I +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 6.360E+08 0.091 1.172E+04 /
+TIC4H7Q2-I=IC4H7OOH+HO2 +1.940E+20 -2.190 +22590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC4H8OOH-IO2=IIC4H7Q2-I +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.986E+08 -0.088 1.190E+04 /
+IC4H8OOH-IO2=IIC4H7Q2-T +1.000E+11 +0.000 +29200.0 ! *:_:* LLNL *:_:*
+ REV/ 9.448E+07 0.406 2.120E+04 /
+IC4H8OOH-TO2=TIC4H7Q2-I +6.000E+11 +0.000 +34500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.088E+09 0.091 2.182E+04 /
+IIC4H7Q2-I=AC3H5OOH+CH2O2H +7.631E+19 -1.740 +38310.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.000 1.060E+04 /
+IIC4H7Q2-T=IC4H7OOH+HO2 +4.076E+17 -1.560 +18390.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+CH2O2H=CH2O+OH +9.000E+14 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.869E+11 1.100 3.684E+04 /
+IC4KETII=CH2O+C2H5CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4KETIT=CH3COCH3+HCO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H8O2H-I=IC4H8+HO2 +1.073E+20 -2.085 +19390.0 ! *:_:* LLNL *:_:*
+ REV/ 3.970E+11 0.000 1.262E+04 /
+IC4H8O2H-T=IC4H8+HO2 +1.526E+16 -1.109 +17560.0 ! *:_:* LLNL *:_:*
+ REV/ 3.970E+11 0.000 1.262E+04 /
+IC4H8O2H-I=CC4H8O+OH +2.000E+11 +0.000 +19500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H8O2H-T=IC4H8O+OH +1.380E+12 +0.000 +14800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H8O2H-I=IC4H8O+OH +4.000E+12 +0.000 +17000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H8O2H-I=OH+CH2O+C3H6 +8.451E+15 -0.680 +29170.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H8=C3H5-T+CH3 +1.920E+66 -14.220 +128100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.561E+56 -12.293 2.610E+04 /
+IC4H8=IC4H7+H +3.070E+55 -11.490 +114300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.428E+55 -11.738 2.640E+04 /
+IC4H8+H=C3H6+CH3 +5.680E+33 -5.720 +20000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.093E+26 -4.209 2.720E+04 /
+IC4H8+H=IC4H7+H2 +3.400E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 6.320E+04 2.528 1.816E+04 /
+IC4H8+O=CH2CO+2CH3 +3.330E+07 +1.760 +76.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H8+O=>IC3H6CO+2H +1.660E+07 +1.760 +76.0 ! *:_:* LLNL *:_:*
+IC4H8+O=IC4H7+OH +1.206E+11 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+ REV/ 1.164E+10 0.709 2.189E+04 /
+IC4H8+CH3=IC4H7+CH4 +4.420E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 7.495E+02 3.082 2.289E+04 /
+IC4H8+HO2=IC4H7+H2O2 +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.073E+06 1.933 1.358E+04 /
+IC4H8+O2CHO=IC4H7+HO2CHO +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.514E-07 4.900 -3.468E+03 /
+IC4H8+O2=IC4H7+HO2 +6.000E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+ REV/ 5.848E+12 -0.320 8.830E+02 /
+IC4H8+C3H5-A=IC4H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 4.400E+20 -1.330 6.061E+04 /
+IC4H8+C3H5-S=IC4H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.592E+20 -1.270 8.217E+04 /
+IC4H8+C3H5-T=IC4H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.592E+20 -1.270 8.017E+04 /
+IC4H8+OH=IC4H7+H2O +5.200E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.025E+07 1.922 3.027E+04 /
+IC4H8+O=IC3H7+HCO +1.580E+07 +1.760 -1216.0 ! *:_:* LLNL *:_:*
+ REV/ 4.538E+00 3.060 2.169E+04 /
+IC4H8+CH3O2=IC4H7+CH3O2H +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.034E+07 1.488 1.199E+04 /
+IC4H8+HO2=IC4H8O+OH +1.290E+12 +0.000 +13340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 7.500E+03 /
+IC4H7+O2=IC3H5CHO+OH +2.470E+13 -0.450 +23020.0 ! *:_:* LLNL *:_:*
+ REV/ 3.372E+13 -0.577 7.301E+04 /
+IC4H7+O2=CH3COCH2+CH2O +7.140E+15 -1.210 +21050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.700E+12 -0.407 8.825E+04 /
+IC4H7+O2=C3H4-A+CH2O+OH +7.290E+29 -5.710 +21450.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H7+O=IC3H5CHO+H +6.030E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.844E+16 -0.519 6.673E+04 /
+IC4H7=C3H4-A+CH3 +1.230E+47 -9.740 +74260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.649E+38 -7.768 2.254E+04 /
+CH3O2+IC4H7=CH3O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.138E+11 0.349 1.506E+04 /
+IC4H7+HO2=IC4H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.418E+12 0.050 1.082E+04 /
+IC4H7O=C3H5-T+CH2O +2.925E+21 -2.391 +35590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC4H7O=IC4H6OH +1.391E+11 +0.000 +15600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.233E+11 -0.164 3.167E+04 /
+IC4H7O=IC3H5CHO+H +5.000E+13 +0.000 +29100.0 ! *:_:* LLNL *:_:*
+ REV/ 6.670E+13 -0.105 1.841E+04 /
+IC4H6OH+H2=IC4H7OH+H +2.160E+04 +2.380 +18990.0 ! *:_:* LLNL *:_:*
+ REV/ 5.614E+02 2.980 1.399E+03 /
+IC4H6OH+HO2=IC4H7OH+O2 +5.570E+13 -0.315 +862.0 ! *:_:* LLNL *:_:*
+ REV/ 6.000E+13 0.000 3.990E+04 /
+IC4H6OH+CH2O=IC4H7OH+HCO +6.300E+08 +1.900 +18190.0 ! *:_:* LLNL *:_:*
+ REV/ 2.101E+07 2.153 1.773E+04 /
+IC4H6OH+IC4H8=IC4H7OH+IC4H7 +4.700E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 2.814E-01 3.900 6.521E+03 /
+IC4H7OH=IC4H6OH+H +4.902E+16 -0.400 +89850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC4H7OH+HO2=IC4H6OH+H2O2 +7.644E+03 +2.712 +13930.0 ! *:_:* LLNL *:_:*
+ REV/ 7.830E+05 2.050 1.358E+04 /
+IC4H6OH=C3H4-A+CH2OH +7.244E+19 -1.859 +57050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+IC4H7O+O2=IC3H5CHO+HO2 +3.000E+10 +0.000 +1649.0 ! *:_:* LLNL *:_:*
+ REV/ 6.312E+10 -0.140 3.898E+04 /
+IC4H7O+HO2=IC3H5CHO+H2O2 +3.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.930E+14 -0.800 7.850E+04 /
+IC4H7O+CH3=IC3H5CHO+CH4 +2.400E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.261E+16 -0.470 9.529E+04 /
+IC4H7O+O=IC3H5CHO+OH +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.052E+14 -0.470 9.272E+04 /
+IC4H7O+OH=IC3H5CHO+H2O +1.810E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.076E+15 -0.470 1.100E+05 /
+IC4H7O+H=IC3H5CHO+H2 +1.990E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.305E+15 -0.470 9.481E+04 /
+IC3H5CHO+OH=IC3H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 4.400E+10 0.780 3.608E+04 /
+IC3H5CHO+HO2=IC3H5CO+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 9.709E+12 -0.310 1.688E+04 /
+IC3H5CHO+CH3=IC3H5CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.928E+13 0.020 3.045E+04 /
+IC3H5CHO+O=IC3H5CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* LLNL *:_:*
+ REV/ 1.191E+12 0.020 2.056E+04 /
+IC3H5CHO+O2=IC3H5CO+HO2 +2.000E+13 +0.000 +40700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.824E+11 0.311 5.337E+03 /
+IC3H5CHO+H=IC3H5CO+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* LLNL *:_:*
+ REV/ 9.822E+11 0.020 2.387E+04 /
+IC3H5CO=C3H5-T+CO +1.278E+20 -1.890 +34460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.510E+11 0.000 4.809E+03 /
+TC3H6CHO+HO2=TC3H6OCHO+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.018E+17 -1.200 2.101E+04 /
+TC3H6OCHO=CH3COCH3+HCO +3.980E+13 +0.000 +9700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.173E+08 0.800 1.424E+04 /
+TC3H6CHO=IC3H5CHO+H +1.325E+14 +0.010 +39340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+13 0.000 1.200E+03 /
+TC3H6CHO=IC3H6CO+H +4.086E+14 -0.072 +42410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+13 0.000 4.800E+03 /
+TC3H6CHO+H2=IC3H7CHO+H +2.160E+05 +2.380 +18990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.319E+05 2.470 3.550E+03 /
+IC4H7OOH=IC4H7O+OH +6.400E+15 +0.000 +45550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 0.000E+00 /
+IC4H7OH=IC4H7O+H +5.969E+16 -0.560 +105900.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+13 0.000 0.000E+00 /
+IC4H8OH=IC4H7OH+H +1.708E+12 +0.277 +38850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 1.200E+03 /
+IC4H7O+H2=IC4H7OH+H +9.050E+06 +2.000 +17830.0 ! *:_:* LLNL *:_:*
+ REV/ 7.160E+05 2.440 1.631E+04 /
+IC4H7OH=IC4H7+OH +7.310E+16 -0.410 +79700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+13 0.000 0.000E+00 /
+IC4H7O+CH2O=IC4H7OH+HCO +1.150E+11 +0.000 +1280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.020E+11 0.000 1.816E+04 /
+TC3H6CHO+CH2O=IC3H7CHO+HCO +2.520E+08 +1.900 +18190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.229E+07 1.990 1.742E+04 /
+TC3H6CHO+IC4H8=IC3H7CHO+IC4H7 +4.700E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 6.613E+00 3.390 8.672E+03 /
+IC3H6CO+OH=IC3H7+CO2 +1.730E+12 +0.000 -1010.0 ! *:_:* LLNL *:_:*
+ REV/ 2.577E+14 -0.430 5.548E+04 /
+TC3H6OHCHO=TC3H6CHO+OH +9.990E+20 -1.460 +87480.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+13 0.000 0.000E+00 /
+TC3H6OHCHO=TC3H6OH+HCO +5.164E+23 -1.900 +76850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.810E+13 0.000 0.000E+00 /
+TC3H6OH=CH3COCH3+H +5.000E+13 +0.000 +21860.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 0.000E+00 /
+TC3H6OH=IC3H5OH+H +6.196E+15 -0.660 +40340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+13 0.000 1.560E+03 /
+IC3H5OH=C3H5-T+OH +7.369E+19 -0.940 +109100.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+13 0.000 0.000E+00 /
+TC3H6O2CHO=TC3H6CHO+O2 +2.458E+25 -4.065 +27080.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+17 -2.100 0.000E+00 /
+TC3H6O2CHO=IC3H5O2HCHO +6.000E+11 +0.000 +29880.0 ! *:_:* LLNL *:_:*
+ REV/ 3.014E+12 -0.516 1.711E+04 /
+TC3H6O2CHO=TC3H6O2HCO +1.000E+11 +0.000 +25750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.628E+12 -0.516 2.510E+04 /
+IC3H5O2HCHO=IC3H5CHO+HO2 +8.944E+20 -2.440 +15030.0 ! *:_:* LLNL *:_:*
+ REV/ 2.230E+11 0.000 1.060E+04 /
+TC3H6O2HCO=CH3COCH3+CO+OH +4.244E+18 -1.430 +4800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC3H6OH+O2=CH3COCH3+HO2 +2.230E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.529E+17 -1.190 2.561E+04 /
+IC3H6CO+OH=TC3H6OH+CO +2.000E+12 +0.000 -1010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.009E+09 0.900 3.154E+04 /
+TC3H6CHO+O2=IC3H5CHO+HO2 +2.725E-19 +0.000 +7240.0 ! *:_:* LLNL *:_:*
+ REV/ 1.390E+11 -0.200 1.731E+04 /
+TC3H6CHO+O2=CH3COCH3+CO+OH +3.620E-20 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC3H6CHO+HO2=IC3H7CHO+O2 +3.675E+12 +0.000 +1310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.236E+14 -0.240 4.335E+04 /
+TC3H6CHO+CH3=IC3H5CHO+CH4 +3.010E+12 -0.320 -131.0 ! *:_:* LLNL *:_:*
+ REV/ 2.207E+15 -0.850 6.790E+04 /
+TC4H8CHO=IC3H5CHO+CH3 +1.000E+13 +0.000 +26290.0 ! *:_:* LLNL *:_:*
+ REV/ 2.230E+11 0.000 1.060E+04 /
+TC4H8CHO=IC4H8+HCO +8.520E+12 +0.000 +20090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+O2C4H8CHO=TC4H8CHO+O2 +1.519E+19 -1.440 +34510.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+O2C4H8CHO=O2HC4H8CO +2.160E+11 +0.000 +15360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.173E+13 -0.680 1.488E+04 /
+O2HC4H8CO=IC4H8O2H-T+CO +3.299E+22 -2.720 +11760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.809E+03 /
+IC4H7O+IC4H8=IC4H7OH+IC4H7 +2.700E+11 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 9.000E+03 /
+IC4H6OH+HO2=CH2CCH2OH+CH2O+OH +1.446E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC4H8+CH2CCH2OH=IC4H7+C3H5OH +7.940E+11 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.750E+11 -0.050 2.847E+04 /
+C3H5OH+HO2=CH2CCH2OH+H2O2 +1.761E+09 +0.280 +22590.0 ! *:_:* LLNL *:_:*
+ REV/ 3.010E+09 0.000 2.583E+03 /
+C3H5OH+OH=CH2CCH2OH+H2O +5.060E+12 +0.000 +5960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.457E+12 0.050 1.741E+04 /
+C3H5OH+H=CH2CCH2OH+H2 +3.900E+05 +2.500 +5821.0 ! *:_:* LLNL *:_:*
+ REV/ 2.594E+04 2.550 2.121E+03 /
+C3H5OH+O2=CH2CCH2OH+HO2 +4.000E+13 +0.000 +60690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.833E+10 0.380 -4.920E+02 /
+C3H5OH+CH3=CH2CCH2OH+CH4 +2.400E+11 +0.000 +8030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.170E+11 0.050 4.810E+03 /
+IC4H7OH=CH2CCH2OH+CH3 +1.247E+20 -0.980 +98570.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+13 0.000 0.000E+00 /
+C3H5OH=CH2CCH2OH+H +2.835E+19 -1.050 +111100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+CH2CCH2OH+O2=CH2OH+CO+CH2O +4.335E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2CCH2OH=C2H2+CH2OH +2.163E+40 -8.310 +45110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.610E+40 -8.580 2.033E+04 /
+CH2CCH2OH=C3H4-A+OH +6.697E+16 -1.110 +42580.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+12 0.000 2.000E+03 /
+IC5H12=IC3H7+C2H5 +5.854E+25 -2.642 +87960.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC5H12=SC4H9+CH3 +2.686E+24 -2.259 +88980.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC5H12=IC4H9+CH3 +1.457E+22 -1.798 +89350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC5H12=AC5H11+H +6.764E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12=BC5H11+H +5.921E+18 -0.896 +96900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12=CC5H11+H +9.877E+17 -0.697 +98700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12=DC5H11+H +6.764E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12+H=AC5H11+H2 +1.207E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 2.575E+02 3.174 9.091E+03 /
+IC5H12+H=BC5H11+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 1.467E+00 3.572 9.246E+03 /
+IC5H12+H=CC5H11+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.899E+01 3.373 9.327E+03 /
+IC5H12+H=DC5H11+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.005E+01 3.384 8.615E+03 /
+IC5H12+O=AC5H11+OH +2.697E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 2.986E+03 2.649 6.059E+03 /
+IC5H12+O=BC5H11+OH +3.968E+05 +2.401 +1150.0 ! *:_:* LLNL *:_:*
+ REV/ 5.019E-01 3.554 6.401E+03 /
+IC5H12+O=CC5H11+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.509E+00 3.393 6.290E+03 /
+IC5H12+O=DC5H11+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.158E+02 3.039 5.689E+03 /
+IC5H12+OH=AC5H11+H2O +1.054E+10 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.384E+07 1.498 1.882E+04 /
+IC5H12+OH=BC5H11+H2O +5.730E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.480E+06 1.576 2.162E+04 /
+IC5H12+OH=CC5H11+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 7.248E+03 2.477 1.971E+04 /
+IC5H12+OH=DC5H11+H2O +5.240E+09 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.185E+07 1.498 1.882E+04 /
+IC5H12+CH3=AC5H11+CH4 +9.067E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.764E-01 3.838 1.103E+04 /
+IC5H12+CH3=BC5H11+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 1.336E-12 7.086 9.096E+03 /
+IC5H12+CH3=CC5H11+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.119E+03 2.660 1.397E+04 /
+IC5H12+CH3=DC5H11+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.796E-02 3.838 1.103E+04 /
+IC5H12+HO2=AC5H11+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 5.035E+00 3.529 3.495E+03 /
+IC5H12+HO2=BC5H11+H2O2 +6.504E+02 +3.010 +12090.0 ! *:_:* LLNL *:_:*
+ REV/ 9.170E-01 3.487 2.756E+03 /
+IC5H12+HO2=CC5H11+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 5.341E-01 3.648 2.574E+03 /
+IC5H12+HO2=DC5H11+H2O2 +2.040E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.518E+00 3.529 3.495E+03 /
+IC5H12+CH3O2=AC5H11+CH3O2H +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 9.796E+01 3.084 1.900E+03 /
+IC5H12+CH3O2=BC5H11+CH3O2H +6.504E+02 +3.010 +12090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.784E+01 3.042 1.161E+03 /
+IC5H12+CH3O2=CC5H11+CH3O2H +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.039E+01 3.203 9.790E+02 /
+IC5H12+CH3O2=DC5H11+CH3O2H +2.040E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 4.898E+01 3.084 1.900E+03 /
+IC5H12+CH3O=AC5H11+CH3OH +3.200E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC5H12+CH3O=BC5H11+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+IC5H12+CH3O=CC5H11+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.000 7.200E+03 /
+IC5H12+CH3O=DC5H11+CH3OH +1.580E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC5H12+O2=AC5H11+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 4.698E+10 0.286 4.510E+02 /
+IC5H12+O2=BC5H11+HO2 +7.000E+12 +0.000 +48000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.945E+07 0.824 -2.100E+01 /
+IC5H12+O2=CC5H11+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.072E+09 0.625 3.220E+02 /
+IC5H12+O2=DC5H11+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.349E+10 0.286 4.510E+02 /
+IC5H12+C2H5=AC5H11+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC5H12+C2H5=BC5H11+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+IC5H12+C2H5=CC5H11+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC5H12+C2H5=DC5H11+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.240E+11 0.000 1.230E+04 /
+IC5H12+C2H3=AC5H11+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+IC5H12+C2H3=BC5H11+C2H4 +2.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+12 0.000 2.300E+04 /
+IC5H12+C2H3=CC5H11+C2H4 +3.980E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC5H12+C2H3=DC5H11+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.510E+12 0.000 2.540E+04 /
+IC5H12+AC5H11=BC5H11+IC5H12 +2.500E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC5H12+AC5H11=CC5H11+IC5H12 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC5H12+AC5H11=DC5H11+IC5H12 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC5H12+BC5H11=CC5H11+IC5H12 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC5H12+BC5H11=DC5H11+IC5H12 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC5H12+CC5H11=DC5H11+IC5H12 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+IC5H12+O2CHO=AC5H11+HO2CHO +5.400E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.830E+05 1.938 3.976E+03 /
+IC5H12+O2CHO=BC5H11+HO2CHO +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.215E+03 2.476 3.873E+03 /
+IC5H12+O2CHO=CC5H11+HO2CHO +4.900E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 2.380E+04 2.277 4.669E+03 /
+IC5H12+O2CHO=DC5H11+HO2CHO +2.700E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.915E+05 1.938 3.976E+03 /
+AC5H11=C3H6+C2H5 +2.907E+13 +0.361 +29710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.420E+03 2.670 6.850E+03 /
+AC5H11=C4H8-1+CH3 +4.835E+11 +0.850 +30800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.890E+03 2.670 6.850E+03 /
+AC5H11=AC5H10+H +1.892E+13 +0.194 +34220.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.510 2.620E+03 /
+AC5H11=DC5H11 +3.000E+11 +0.000 +21100.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.110E+04 /
+BC5H11=IC4H8+CH3 +5.272E+10 +1.192 +30220.0 ! *:_:* LLNL *:_:*
+ REV/ 4.400E+04 2.480 6.130E+03 /
+BC5H11=AC5H10+H +3.665E+11 +0.732 +37150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+12 0.510 1.230E+03 /
+BC5H11=BC5H10+H +6.171E+11 +0.487 +35580.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.510 2.620E+03 /
+CC5H11=C4H8-2+CH3 +5.276E+10 +0.935 +30620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.890E+03 2.670 6.850E+03 /
+CC5H11=BC5H10+H +1.480E+12 +0.288 +33780.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+CC5H11=CC5H10+H +6.262E+11 +0.557 +38150.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.510 2.620E+03 /
+DC5H11=C2H4+IC3H7 +1.237E+14 +0.076 +28960.0 ! *:_:* LLNL *:_:*
+ REV/ 8.800E+03 2.480 6.130E+03 /
+DC5H11=CC5H10+H +3.658E+12 +0.218 +35630.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+AC5H11+O2=AC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC5H11+O2=AC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC5H11+O2=BC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC5H11+O2=BC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC5H11+O2=CC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC5H11+O2=CC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+AC5H11+HO2=AC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.212E+14 -0.472 2.644E+04 /
+BC5H11+HO2=BC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.572E+18 -1.340 2.899E+04 /
+CC5H11+HO2=CC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.977E+17 -1.106 2.843E+04 /
+DC5H11+HO2=DC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.437E+15 -0.472 2.644E+04 /
+AC5H11+CH3O2=AC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.511E+13 -0.173 3.068E+04 /
+BC5H11+CH3O2=BC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.860E+17 -1.041 3.323E+04 /
+CC5H11+CH3O2=CC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.236E+16 -0.807 3.267E+04 /
+DC5H11+CH3O2=DC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.988E+13 -0.173 3.068E+04 /
+AC5H10=IC4H7+CH3 +1.900E+20 -1.582 +75930.0 ! *:_:* LLNL *:_:*
+ REV/ 2.550E+13 -0.320 -1.310E+02 /
+AC5H10=C3H5-T+C2H5 +8.922E+24 -2.409 +100500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+BC5H10=C4H72-2+CH3 +1.217E+23 -1.926 +101400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+BC5H10=IC4H7+CH3 +2.610E+19 -1.017 +79020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+CC5H10=C4H71-3+CH3 +1.302E+21 -1.639 +76140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+AC5H10+OH=SC4H9+CH2O +2.000E+10 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+BC5H10+OH=IC3H7+CH3CHO +2.000E+10 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+CC5H10+OH=IC4H9+CH2O +2.000E+10 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+AC5H10+O=SC4H9+HCO +7.230E+05 +2.340 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+05 2.340 8.030E+04 /
+AC5H10+O=IC3H7+CH3CO +7.230E+05 +2.340 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+05 2.340 8.030E+04 /
+AC5H10+O=IC4H9+HCO +7.230E+05 +2.340 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+05 2.340 8.030E+04 /
+AC5H10+H=AC5H9-A2+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 6.952E+06 1.890 2.010E+04 /
+AC5H10+H=AC5H9-C+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.352E+06 2.100 2.033E+04 /
+AC5H10+H=AC5H9-D+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.040E+04 2.540 1.104E+04 /
+AC5H10+OH=AC5H9-A2+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.428E+08 1.390 3.247E+04 /
+AC5H10+OH=AC5H9-C+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+06 2.380 3.336E+04 /
+AC5H10+OH=AC5H9-D+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.043E+09 0.970 2.102E+04 /
+AC5H10+CH3=AC5H9-A2+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.320E+03 2.890 2.377E+04 /
+AC5H10+CH3=AC5H9-C+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.243E+03 3.050 2.460E+04 /
+AC5H10+CH3=AC5H9-D+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.398E-01 3.650 1.191E+04 /
+AC5H10+HO2=AC5H9-A2+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 9.955E+06 1.660 1.521E+04 /
+AC5H10+HO2=AC5H9-C+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.597E+06 1.960 1.434E+04 /
+AC5H10+HO2=AC5H9-D+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.796E+04 2.220 4.466E+03 /
+AC5H10+CH3O2=AC5H9-A2+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.073E+07 1.490 1.219E+04 /
+AC5H10+CH3O2=AC5H9-C+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.326E+06 1.790 1.132E+04 /
+AC5H10+CH3O2=AC5H9-D+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.822E+04 2.040 1.446E+03 /
+AC5H10+CH3O=AC5H9-A2+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.744E+03 2.370 2.787E+04 /
+AC5H10+CH3O=AC5H9-C+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.486E+02 2.670 2.700E+04 /
+AC5H10+CH3O=AC5H9-D+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.782E+09 0.020 9.008E+03 /
+BC5H10+H=AC5H9-C+H2 +3.460E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 1.274E+07 2.000 1.965E+04 /
+BC5H10+H=CC5H9-B+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 7.021E+06 2.170 2.040E+04 /
+BC5H10+OH=AC5H9-C+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 9.945E+08 1.500 3.202E+04 /
+BC5H10+OH=CC5H9-B+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.482E+08 1.670 3.277E+04 /
+BC5H10+CH3=AC5H9-C+CH4 +4.420E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 4.250E+03 3.000 2.332E+04 /
+BC5H10+CH3=CC5H9-B+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.343E+03 3.170 2.406E+04 /
+BC5H10+HO2=AC5H9-C+H2O2 +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.824E+07 1.770 1.476E+04 /
+BC5H10+HO2=CC5H9-B+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.005E+07 1.940 1.551E+04 /
+BC5H10+CH3O2=AC5H9-C+CH3O2H +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.798E+07 1.590 1.174E+04 /
+BC5H10+CH3O2=CC5H9-B+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.094E+07 1.770 1.249E+04 /
+BC5H10+CH3O=AC5H9-C+CH3OH +1.800E+02 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 3.194E+03 2.470 2.742E+04 /
+BC5H10+CH3O=CC5H9-B+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.761E+03 2.640 2.817E+04 /
+CC5H10+H=CC5H9-A+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.153E+04 2.540 1.103E+04 /
+CC5H10+H=CC5H9-B+H2 +2.650E+06 +2.200 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+07 2.140 2.228E+04 /
+CC5H10+OH=CC5H9-A+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.111E+09 0.970 2.102E+04 /
+CC5H10+OH=CC5H9-B+H2O +6.140E+02 +3.200 -3500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.827E+04 3.140 3.394E+04 /
+CC5H10+CH3=CC5H9-A+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.093E+00 3.650 1.191E+04 /
+CC5H10+CH3=CC5H9-B+CH4 +4.613E+00 +3.100 +2330.0 ! *:_:* LLNL *:_:*
+ REV/ 8.280E+02 3.040 2.509E+04 /
+CC5H10+HO2=CC5H9-A+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.660E+04 2.220 4.461E+03 /
+CC5H10+HO2=CC5H9-B+H2O2 +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 3.196E+05 2.110 1.313E+04 /
+CC5H10+CH3O2=CC5H9-A+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.179E+05 2.040 1.441E+03 /
+CC5H10+CH3O2=CC5H9-B+CH3O2H +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 6.656E+05 1.930 1.011E+04 /
+CC5H10+CH3O=CC5H9-A+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.680E+09 0.020 9.003E+03 /
+CC5H10+CH3O=CC5H9-B+CH3OH +1.000E+01 +2.850 +5231.0 ! *:_:* LLNL *:_:*
+ REV/ 3.313E+01 2.810 2.579E+04 /
+AC5H9-A2+HO2=AC5H9O-A2+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.747E+13 -0.160 1.325E+04 /
+AC5H9-A2+CH3O2=AC5H9O-A2+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.683E+15 -0.740 1.801E+04 /
+AC5H9-A2+C2H5O2=AC5H9O-A2+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.756E+12 0.180 1.586E+04 /
+AC5H9-C+HO2=AC5H9O-C+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.731E+15 -0.960 1.562E+04 /
+AC5H9-C+CH3O2=AC5H9O-C+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.668E+17 -1.530 2.038E+04 /
+AC5H9-C+C2H5O2=AC5H9O-C+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.746E+14 -0.610 1.822E+04 /
+AC5H9-D=AC5H9-A2 +1.113E+12 +0.000 +31700.0 ! *:_:* LLNL *:_:*
+ REV/ 9.785E+14 -0.610 4.503E+04 /
+CC5H9-B+HO2=CC5H9O-B+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.939E+15 -1.020 1.687E+04 /
+CC5H9-B+CH3O2=CC5H9O-B+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.871E+17 -1.590 2.164E+04 /
+CC5H9-B+C2H5O2=CC5H9O-B+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.879E+14 -0.670 1.948E+04 /
+AC5H9O-A2=C4H71-2+CH2O +9.210E+17 -1.430 +30330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC5H9O-C=CH3CHO+C3H5-T +3.231E+22 -2.630 +30310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC5H9O-B=CH3COCH3+C2H3 +7.813E+13 -0.250 +22330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC5H11O2=AC5H11+O2 +4.877E+19 -1.594 +36040.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+BC5H11O2=BC5H11+O2 +3.224E+24 -2.470 +37820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+CC5H11O2=CC5H11+O2 +4.061E+22 -2.215 +38310.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC5H11O2=DC5H11+O2 +1.944E+20 -1.594 +36040.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC5H11O2+IC5H12=AC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11O2+IC5H12=AC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11O2+IC5H12=AC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11O2+IC5H12=AC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11+AC5H11O2=2AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.519E+13 -0.142 3.016E+04 /
+AC5H11+BC5H11O2=AC5H11O+BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.507E+13 -0.134 3.094E+04 /
+AC5H11+CC5H11O2=AC5H11O+CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.766E+13 -0.155 2.988E+04 /
+AC5H11+DC5H11O2=AC5H11O+DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.518E+13 -0.142 3.016E+04 /
+BC5H11+AC5H11O2=BC5H11O+AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.597E+17 -1.010 3.272E+04 /
+BC5H11+BC5H11O2=2BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.552E+16 -1.002 3.350E+04 /
+BC5H11+CC5H11O2=BC5H11O+CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.753E+17 -1.023 3.244E+04 /
+BC5H11+DC5H11O2=BC5H11O+DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.596E+17 -1.010 3.272E+04 /
+CC5H11+AC5H11O2=CC5H11O+AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.903E+15 -0.776 3.215E+04 /
+CC5H11+BC5H11O2=CC5H11O+BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.130E+15 -0.768 3.293E+04 /
+CC5H11+CC5H11O2=2CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.580E+15 -0.789 3.187E+04 /
+CC5H11+DC5H11O2=CC5H11O+DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.901E+15 -0.776 3.215E+04 /
+DC5H11+AC5H11O2=DC5H11O+AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.019E+13 -0.142 3.016E+04 /
+DC5H11+BC5H11O2=DC5H11O+BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.002E+13 -0.134 3.094E+04 /
+DC5H11+CC5H11O2=DC5H11O+CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.511E+13 -0.155 2.988E+04 /
+DC5H11+DC5H11O2=2DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.017E+13 -0.142 3.016E+04 /
+AC5H11O2+HO2=AC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.845E+13 -0.795 3.362E+04 /
+AC5H11O2+H2O2=AC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2AC5H11O2=O2+2AC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+BC5H11O2=O2+AC5H11O+BC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+CC5H11O2=O2+AC5H11O+CC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+DC5H11O2=O2+AC5H11O+DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+CH3O2=AC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+HO2=BC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.777E+13 -0.792 3.361E+04 /
+BC5H11O2+H2O2=BC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2BC5H11O2=O2+2BC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+CC5H11O2=O2+BC5H11O+CC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+DC5H11O2=O2+BC5H11O+DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+CH3O2=BC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H11O2+HO2=CC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.367E+13 -0.812 3.363E+04 /
+CC5H11O2+H2O2=CC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2CC5H11O2=O2+2CC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H11O2+DC5H11O2=O2+CC5H11O+DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H11O2+CH3O2=CC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H11O2+HO2=DC5H11O2H+O2 +1.750E+10 -1.610 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.844E+13 -2.405 3.362E+04 /
+DC5H11O2+H2O2=DC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2DC5H11O2=O2+2DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H11O2+CH3O2=DC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2H=AC5H11O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.260E+07 1.918 -3.002E+03 /
+BC5H11O2H=BC5H11O+OH +5.950E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 7.875E+06 1.923 -2.172E+03 /
+CC5H11O2H=CC5H11O+OH +9.450E+15 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.985E+07 1.922 -4.192E+03 /
+DC5H11O2H=DC5H11O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.260E+07 1.918 -3.002E+03 /
+AC5H11O=CH2O+SC4H9 +2.417E+22 -2.639 +24750.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.190E+04 /
+BC5H11O=C2H5+CH3COCH3 +1.429E+24 -3.012 +18050.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.000 1.190E+04 /
+CC5H11O=CH3CHO+IC3H7 +8.732E+23 -3.014 +19370.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 1.190E+04 /
+DC5H11O=CH2O+IC4H9 +2.613E+20 -2.178 +25120.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.190E+04 /
+AC5H11O2=AC5H10OOH-A +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.090E+10 -0.509 8.950E+03 /
+AC5H11O2=AC5H10OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.509E+06 0.781 1.078E+04 /
+AC5H11O2=AC5H10OOH-C +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.888E+09 -0.121 7.860E+03 /
+AC5H11O2=AC5H10OOH-D +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.136E+10 -0.509 6.900E+03 /
+BC5H11O2=BC5H10OOH-A +6.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.335E+12 -0.496 1.393E+04 /
+BC5H11O2=BC5H10OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.991E+10 -0.155 1.389E+04 /
+BC5H11O2=BC5H10OOH-D +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.345E+10 -0.496 8.930E+03 /
+CC5H11O2=CC5H10OOH-A +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.958E+11 -0.518 8.950E+03 /
+CC5H11O2=CC5H10OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 5.577E+09 0.022 1.294E+04 /
+CC5H11O2=CC5H10OOH-D +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.834E+11 -0.518 1.395E+04 /
+DC5H11O2=DC5H10OOH-A +9.376E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 3.417E+10 -0.509 6.900E+03 /
+DC5H11O2=DC5H10OOH-B +1.250E+10 +0.000 +19100.0 ! *:_:* LLNL *:_:*
+ REV/ 7.046E+08 0.024 7.970E+03 /
+DC5H11O2=DC5H10OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.309E+10 -0.121 1.386E+04 /
+AC5H11O2=AC5H10+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.453E+27 -5.382 2.072E+04 /
+BC5H11O2=AC5H10+HO2 +1.015E+43 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.690E+32 -7.234 1.662E+04 /
+BC5H11O2=BC5H10+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.683E+27 -5.689 1.858E+04 /
+CC5H11O2=BC5H10+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.978E+25 -4.855 1.889E+04 /
+CC5H11O2=CC5H10+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.971E+33 -7.314 1.652E+04 /
+DC5H11O2=CC5H10+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.680E+30 -6.296 2.031E+04 /
+AC5H10OOH-B=A-BC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-A=A-AC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-C=A-CC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-D=A-DC5H10O+OH +6.250E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-A=A-BC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-C=B-CC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-D=B-DC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-B=B-CC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-D=C-DC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-A=A-CC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-C=C-DC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-B=B-DC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-A=A-DC5H10O+OH +6.250E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-B=AC5H10+HO2 +7.820E+14 -1.057 +16450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+BC5H10OOH-A=AC5H10+HO2 +8.395E+21 -2.672 +21150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+BC5H10OOH-C=BC5H10+HO2 +1.611E+21 -2.576 +20700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+CC5H10OOH-B=BC5H10+HO2 +8.483E+19 -2.343 +21190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+CC5H10OOH-D=CC5H10+HO2 +6.724E+20 -2.615 +21270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+DC5H10OOH-C=CC5H10+HO2 +3.467E+18 -1.935 +18190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+AC5H10OOH-C=OH+CH2O+C4H8-2 +2.719E+14 -0.480 +29030.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-A=OH+CH2O+C4H8-1 +4.065E+15 -0.650 +29390.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-D=OH+CH3COCH3+C2H4 +1.182E+20 -2.060 +24210.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-A=OH+CH3CHO+C3H6 +8.216E+19 -1.880 +26470.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-B=OH+CH2O+IC4H8 +7.478E+11 -0.670 +30780.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-AO2=AC5H10OOH-A+O2 +3.125E+20 -1.639 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+AC5H10OOH-BO2=AC5H10OOH-B+O2 +4.734E+27 -3.238 +39640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC5H10OOH-CO2=AC5H10OOH-C+O2 +1.374E+23 -2.264 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC5H10OOH-DO2=AC5H10OOH-D+O2 +3.136E+20 -1.639 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC5H10OOH-AO2=BC5H10OOH-A+O2 +7.068E+19 -1.624 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+BC5H10OOH-CO2=BC5H10OOH-C+O2 +4.417E+22 -2.201 +37930.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+BC5H10OOH-DO2=BC5H10OOH-D+O2 +2.816E+20 -1.624 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC5H10OOH-AO2=CC5H10OOH-A+O2 +1.066E+20 -1.584 +35660.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+CC5H10OOH-BO2=CC5H10OOH-B+O2 +1.568E+24 -2.434 +37440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+CC5H10OOH-DO2=CC5H10OOH-D+O2 +2.132E+20 -1.584 +35660.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC5H10OOH-AO2=DC5H10OOH-A+O2 +5.233E+19 -1.639 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+DC5H10OOH-BO2=DC5H10OOH-B+O2 +2.107E+24 -2.481 +37450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC5H10OOH-CO2=DC5H10OOH-C+O2 +6.900E+22 -2.264 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC5H10OOH-AO2=IC5KETAA+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.085E+03 1.443 4.443E+04 /
+AC5H10OOH-BO2=IC5KETAB+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.214E+04 1.245 4.873E+04 /
+AC5H10OOH-CO2=IC5KETAC+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.467E+03 1.400 4.446E+04 /
+AC5H10OOH-DO2=IC5KETAD+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.703E+02 1.443 4.238E+04 /
+CC5H10OOH-AO2=IC5KETCA+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 6.798E+01 1.818 4.359E+04 /
+CC5H10OOH-BO2=IC5KETCB+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 7.501E+03 1.581 4.893E+04 /
+CC5H10OOH-DO2=IC5KETCD+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.039E+02 1.802 4.973E+04 /
+DC5H10OOH-AO2=IC5KETDA+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.599E+02 1.504 4.268E+04 /
+DC5H10OOH-BO2=IC5KETDB+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.358E+03 1.496 4.473E+04 /
+DC5H10OOH-CO2=IC5KETDC+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.713E+04 1.347 4.891E+04 /
+IC5KETAA=CH2O+C3H6CHO-3+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETAB=C2H5COCH3+HCO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETAC=CH3CHO+CH3CHCHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETAD=CH2O+IC3H6CHO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETCA=CH2O+CH3CHCOCH3+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETCB=CH3COCH3+CH3CO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETCD=CH2O+IC3H7CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETDA=CH2O+C3H6CHO-2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETDB=CH3COCH3+CH2CHO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETDC=IC3H7CHO+HCO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+OH=CH2O+C4H71-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+OH=IC3H5CHO+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+OH=C3H6+CH3CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+OH=C3H6+CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+OH=IC3H5COCH3+H+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+OH=IC4H8+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+OH=CH2CO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+OH=C2H3CHO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+OH=CH2O+C4H72-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+OH=C3H5-T+CH3CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+OH=CH3CHCHO+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+OH=IC3H5CHO+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+OH=CH3COCH3+C2H3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+OH=SC3H5CHO+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+HO2=CH2O+C4H71-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+HO2=IC3H5CHO+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+HO2=C3H6+CH3CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+HO2=C3H6+CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+HO2=IC3H5COCH3+H+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+HO2=IC4H8+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+HO2=CH2CO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+HO2=C2H3CHO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+HO2=CH2O+C4H72-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+HO2=C3H5-T+CH3CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+HO2=CH3CHCHO+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+HO2=IC3H5CHO+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+HO2=CH3COCH3+C2H3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+HO2=SC3H5CHO+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OH=AC5H10+OH +7.849E+13 -0.320 +28180.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+AO2C5H10OH=AC5H10OH+O2 +2.316E+22 -2.160 +37130.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+AO2C5H10OH=C2H5COCH3+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OH=BC5H10+OH +1.088E+16 -0.900 +29680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+BO2C5H10OH=BC5H10OH+O2 +1.027E+22 -2.140 +37110.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+BO2C5H10OH=CH3COCH3+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OH=CC5H10+OH +1.156E+15 -0.630 +27900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CO2C5H10OH=CC5H10OH+O2 +8.044E+20 -1.800 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CO2C5H10OH=IC3H7CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3CHCHO=C2H3CHO+H +3.515E+15 -0.510 +41060.0 ! *:_:* LLNL *:_:*
+ REV/ 6.500E+12 0.000 2.900E+03 /
+CH3CHCHO=CH3CHCO+H +1.135E+16 -0.660 +40310.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 1.200E+03 /
+CH3CHCHO+H2=C2H5CHO+H +2.160E+05 +2.380 +18990.0 ! *:_:* LLNL *:_:*
+ REV/ 4.309E+04 2.630 5.265E+03 /
+IC3H5COCH3=IC3H5CO+CH3 +2.200E+17 -0.510 +75220.0 ! *:_:* LLNL *:_:*
+ REV/ 9.640E+12 0.000 0.000E+00 /
+IC3H5COCH3=C3H5-T+CH3CO +6.070E+24 -2.210 +96960.0 ! *:_:* LLNL *:_:*
+ REV/ 9.640E+12 0.000 0.000E+00 /
+IC3H5COCH3+OH=IC3H5COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.436E+13 -0.700 2.766E+04 /
+IC3H5COCH3+O=IC3H5COCH2+OH +5.000E+12 +0.000 +5962.0 ! *:_:* LLNL *:_:*
+ REV/ 6.401E+13 -0.700 1.518E+04 /
+IC3H5COCH3+H=IC3H5COCH2+H2 +9.300E+12 +0.000 +6357.0 ! *:_:* LLNL *:_:*
+ REV/ 2.711E+14 -0.700 1.767E+04 /
+IC3H5COCH3+CH3=IC3H5COCH2+CH4 +1.620E+11 +0.000 +9630.0 ! *:_:* LLNL *:_:*
+ REV/ 1.234E+14 -0.700 2.142E+04 /
+IC3H5COCH3+HO2=IC3H5COCH2+H2O2 +8.500E+12 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.000E+03 /
+IC3H5COCH3+O2=IC3H5COCH2+HO2 +6.000E+13 +0.000 +46000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.000E+03 /
+IC3H5COCH2=C3H5-T+CH2CO +1.000E+14 +0.000 +31000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+IC3H5COCH3+OH=AC3H4COCH3+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 2.679E+08 1.390 3.246E+04 /
+IC3H5COCH3+O=AC3H4COCH3+OH +6.030E+10 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+ REV/ 5.252E+11 0.090 2.314E+04 /
+IC3H5COCH3+H=AC3H4COCH3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 3.431E+06 1.890 2.009E+04 /
+IC3H5COCH3+CH3=AC3H4COCH3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 1.145E+03 2.890 2.376E+04 /
+IC3H5COCH3+HO2=AC3H4COCH3+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.913E+06 1.660 1.520E+04 /
+IC3H5COCH3+O2=AC3H4COCH3+HO2 +6.030E+13 +0.000 +47590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.172E+13 -0.280 7.712E+03 /
+AC3H4COCH3=C3H4-A+CH3CO +1.400E+13 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.684E+00 2.930 1.230E+04 /
+IC6H14=IC4H9+C2H5 +5.286E+23 -2.181 +88670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=IC3H7+NC3H7 +3.475E+25 -2.563 +88150.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=DC5H11+CH3 +1.298E+22 -1.769 +89660.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=C5H11-2+CH3 +1.402E+19 -0.729 +87100.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=AC6H13+H +6.786E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=BC6H13+H +3.679E+18 -0.926 +96720.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=CC6H13+H +1.005E+18 -0.698 +98700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=DC6H13+H +1.005E+18 -0.698 +98700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=EC6H13+H +6.786E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14+H=AC6H13+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.993E+01 3.384 8.620E+03 /
+IC6H14+H=BC6H13+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 2.358E+00 3.602 9.425E+03 /
+IC6H14+H=CC6H13+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.864E+01 3.374 9.326E+03 /
+IC6H14+H=DC6H13+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.864E+01 3.374 9.326E+03 /
+IC6H14+H=EC6H13+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.997E+01 3.384 8.620E+03 /
+IC6H14+O=AC6H13+OH +2.697E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 3.007E+03 2.648 6.064E+03 /
+IC6H14+O=BC6H13+OH +3.968E+05 +2.401 +1150.0 ! *:_:* LLNL *:_:*
+ REV/ 8.159E-01 3.583 6.580E+03 /
+IC6H14+O=CC6H13+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.476E+00 3.393 6.289E+03 /
+IC6H14+O=DC6H13+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.476E+00 3.393 6.289E+03 /
+IC6H14+O=EC6H13+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.166E+02 3.038 5.694E+03 /
+IC6H14+OH=AC6H13+H2O +1.054E+10 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.382E+07 1.498 1.882E+04 /
+IC6H14+OH=BC6H13+H2O +5.733E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 2.390E+06 1.606 2.180E+04 /
+IC6H14+OH=CC6H13+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 7.126E+03 2.478 1.971E+04 /
+IC6H14+OH=DC6H13+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 7.126E+03 2.478 1.971E+04 /
+IC6H14+OH=EC6H13+H2O +5.270E+09 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.191E+07 1.498 1.882E+04 /
+IC6H14+CH3=AC6H13+CH4 +9.067E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.758E-01 3.838 1.103E+04 /
+IC6H14+CH3=BC6H13+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 2.149E-12 7.116 9.275E+03 /
+IC6H14+CH3=CC6H13+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+03 2.661 1.397E+04 /
+IC6H14+CH3=DC6H13+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+03 2.661 1.397E+04 /
+IC6H14+CH3=EC6H13+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.763E-02 3.838 1.103E+04 /
+IC6H14+HO2=AC6H13+H2O2 +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.959E+03 2.439 3.030E+03 /
+IC6H14+HO2=BC6H13+H2O2 +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 3.401E+01 3.007 3.101E+03 /
+IC6H14+HO2=CC6H13+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.881E+02 2.779 3.717E+03 /
+IC6H14+HO2=DC6H13+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.881E+02 2.779 3.717E+03 /
+IC6H14+HO2=EC6H13+H2O2 +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.980E+03 2.439 3.030E+03 /
+IC6H14+CH3O=AC6H13+CH3OH +3.200E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC6H14+CH3O=BC6H13+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+IC6H14+CH3O=CC6H13+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.000 7.200E+03 /
+IC6H14+CH3O=DC6H13+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.000 7.200E+03 /
+IC6H14+CH3O=EC6H13+CH3OH +1.580E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC6H14+O2=AC6H13+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 4.680E+10 0.286 4.560E+02 /
+IC6H14+O2=BC6H13+HO2 +7.000E+12 +0.000 +48000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.439E+08 0.854 1.579E+02 /
+IC6H14+O2=CC6H13+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.053E+09 0.626 3.210E+02 /
+IC6H14+O2=DC6H13+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.053E+09 0.626 3.210E+02 /
+IC6H14+O2=EC6H13+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.340E+10 0.286 4.560E+02 /
+IC6H14+C2H5=AC6H13+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC6H14+C2H5=BC6H13+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+IC6H14+C2H5=CC6H13+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC6H14+C2H5=DC6H13+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC6H14+C2H5=EC6H13+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.240E+11 0.000 1.230E+04 /
+IC6H14+C2H3=AC6H13+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+IC6H14+C2H3=BC6H13+C2H4 +2.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 2.300E+04 /
+IC6H14+C2H3=CC6H13+C2H4 +3.980E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC6H14+C2H3=DC6H13+C2H4 +3.980E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC6H14+C2H3=EC6H13+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.510E+12 0.000 2.540E+04 /
+IC6H14+CH3O2=AC6H13+CH3O2H +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.938E+05 1.994 1.435E+03 /
+IC6H14+CH3O2=BC6H13+CH3O2H +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 6.617E+02 2.562 1.506E+03 /
+IC6H14+CH3O2=CC6H13+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.496E+03 2.334 2.122E+03 /
+IC6H14+CH3O2=DC6H13+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.496E+03 2.334 2.122E+03 /
+IC6H14+CH3O2=EC6H13+CH3O2H +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.688E+04 1.994 1.435E+03 /
+IC6H14+AC6H13=BC6H13+IC6H14 +2.500E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+AC6H13=CC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+AC6H13=DC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+AC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+BC6H13=CC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC6H14+BC6H13=DC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC6H14+BC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC6H14+CC6H13=DC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+IC6H14+CC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+IC6H14+DC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC6H14+O2CHO=AC6H13+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.138E+03 2.300 3.065E+03 /
+IC6H14+O2CHO=BC6H13+HO2CHO +2.800E+12 +0.000 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 3.497E+00 2.870 3.145E+03 /
+IC6H14+O2CHO=CC6H13+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.560E+01 2.640 2.831E+03 /
+IC6H14+O2CHO=DC6H13+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.560E+01 2.640 2.831E+03 /
+IC6H14+O2CHO=EC6H13+HO2CHO +8.400E+12 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.688E+02 2.300 3.065E+03 /
+AC6H13=NC3H7+C3H6 +1.816E+21 -2.230 +32260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 9.200E+03 /
+AC6H13=C5H10-1+CH3 +2.116E+18 -1.374 +33320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 9.200E+03 /
+AC6H13=AC6H12+H +2.124E+14 -0.287 +35160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 3.200E+03 /
+BC6H13=IC4H8+C2H5 +1.048E+19 -1.641 +30790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.200E+03 /
+BC6H13=AC6H12+H +3.917E+12 +0.281 +37660.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 1.200E+03 /
+BC6H13=BC6H12+H +8.020E+12 +0.105 +36490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+CC6H13=C5H10-2+CH3 +4.107E+18 -1.635 +32980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 9.200E+03 /
+CC6H13=BC6H12+H +2.936E+13 -0.123 +34800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 3.200E+03 /
+CC6H13=CC6H12+H +1.372E+13 -0.093 +35920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+DC6H13=IC3H7+C3H6 +7.771E+20 -2.204 +30830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.800E+03 /
+DC6H13=CC6H12+H +1.372E+13 -0.093 +35920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+DC6H13=DC6H12+H +6.434E+12 +0.085 +36820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 1.200E+03 /
+EC6H13=IC4H9+C2H4 +2.150E+19 -1.943 +30740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.700E+11 0.000 7.200E+03 /
+EC6H13=DC6H12+H +9.529E+13 -0.255 +36010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+AC6H13+O2=AC6H12+HO2 +1.500E-19 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC6H13+O2=AC6H12+HO2 +9.000E-19 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC6H13+O2=BC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC6H13+O2=BC6H12+HO2 +1.500E-19 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC6H13+O2=CC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC6H13+O2=CC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC6H13+O2=DC6H12+HO2 +4.500E-19 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+EC6H13+O2=DC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+AC6H13=DC6H13 +2.000E+11 +0.000 +18100.0 ! *:_:* LLNL *:_:*
+ REV/ 6.000E+11 0.000 2.110E+04 /
+AC6H13=EC6H13 +3.000E+11 +0.000 +14100.0 ! *:_:* LLNL *:_:*
+ REV/ 6.000E+11 0.000 1.410E+04 /
+BC6H13=EC6H13 +3.000E+11 +0.000 +21100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.610E+04 /
+AC6H12+OH=C5H11-2+CH2O +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12+OH=CH3COCH3+NC3H7 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12+OH=C2H5CHO+IC3H7 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12+OH=IC4H9+CH3CHO +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12+OH=DC5H11+CH2O +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12+O=C5H11-2+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12+O=IC4H9+CH3CO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12+O=DC5H11+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12=IC4H7+C2H5 +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+BC6H12=CH3+CC5H9-B +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+CC6H12=CH3+C5H92-4 +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+DC6H12=IC3H7+C3H5-A +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+AC6H12+H=AC6H11-A2+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 7.048E+06 1.890 2.010E+04 /
+AC6H12+H=AC6H11-C+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.374E+06 2.100 2.033E+04 /
+AC6H12+H=AC6H11-D+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.911E+03 2.740 1.126E+04 /
+AC6H12+H=AC6H11-E+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.076E+04 2.540 1.104E+04 /
+AC6H12+OH=AC6H11-A2+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.503E+08 1.390 3.247E+04 /
+AC6H12+OH=AC6H11-C+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.551E+06 2.380 3.336E+04 /
+AC6H12+OH=AC6H11-D+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.084E+05 1.950 2.191E+04 /
+AC6H12+OH=AC6H11-E+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.055E+09 0.970 2.102E+04 /
+AC6H12+CH3=AC6H11-A2+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.352E+03 2.890 2.376E+04 /
+AC6H12+CH3=AC6H11-C+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.249E+03 3.050 2.460E+04 /
+AC6H12+CH3=AC6H11-D+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.187E-01 3.800 1.275E+04 /
+AC6H12+CH3=AC6H11-E+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.463E-01 3.650 1.191E+04 /
+AC6H12+HO2=AC6H11-A2+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.009E+07 1.660 1.521E+04 /
+AC6H12+HO2=AC6H11-C+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.605E+06 1.960 1.434E+04 /
+AC6H12+HO2=AC6H11-D+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.455E+02 2.610 4.392E+03 /
+AC6H12+HO2=AC6H11-E+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.829E+04 2.220 4.466E+03 /
+AC6H12+CH3O2=AC6H11-A2+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.101E+07 1.490 1.219E+04 /
+AC6H12+CH3O2=AC6H11-C+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.343E+06 1.790 1.132E+04 /
+AC6H12+CH3O2=AC6H11-D+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.552E+03 2.440 1.372E+03 /
+AC6H12+CH3O2=AC6H11-E+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.892E+04 2.040 1.446E+03 /
+AC6H12+CH3O=AC6H11-A2+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.768E+03 2.360 2.787E+04 /
+AC6H12+CH3O=AC6H11-C+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.499E+02 2.670 2.700E+04 /
+AC6H12+CH3O=AC6H11-D+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.103E+08 0.370 9.631E+03 /
+AC6H12+CH3O=AC6H11-E+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.839E+09 0.020 9.008E+03 /
+BC6H12+H=AC6H11-C+H2 +3.460E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 9.180E+06 2.060 1.974E+04 /
+BC6H12+H=CC6H11-B+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 2.496E+06 2.270 2.104E+04 /
+BC6H12+H=BC6H11-E+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.090E+04 2.540 1.104E+04 /
+BC6H12+OH=AC6H11-C+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 7.168E+08 1.560 3.211E+04 /
+BC6H12+OH=CC6H11-B+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 8.847E+05 2.550 3.407E+04 /
+BC6H12+OH=BC6H11-E+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+09 0.970 2.102E+04 /
+BC6H12+CH3=AC6H11-C+CH4 +4.420E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 3.064E+03 3.060 2.341E+04 /
+BC6H12+CH3=CC6H11-B+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 7.126E+02 3.220 2.531E+04 /
+BC6H12+CH3=BC6H11-E+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.487E-01 3.650 1.191E+04 /
+BC6H12+HO2=AC6H11-C+H2O2 +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.315E+07 1.840 1.485E+04 /
+BC6H12+HO2=CC6H11-B+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 9.158E+05 2.130 1.505E+04 /
+BC6H12+HO2=BC6H11-E+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.842E+04 2.220 4.466E+03 /
+BC6H12+CH3O2=AC6H11-C+CH3O2H +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.738E+07 1.660 1.183E+04 /
+BC6H12+CH3O2=CC6H11-B+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.907E+06 1.950 1.203E+04 /
+BC6H12+CH3O2=BC6H11-E+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.918E+04 2.040 1.446E+03 /
+BC6H12+CH3O=AC6H11-C+CH3OH +1.800E+02 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 2.302E+03 2.540 2.751E+04 /
+BC6H12+CH3O=CC6H11-B+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 1.426E+02 2.830 2.771E+04 /
+BC6H12+CH3O=BC6H11-E+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.860E+09 0.020 9.008E+03 /
+CC6H12+H=CC6H11-A+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.091E+04 2.540 1.105E+04 /
+CC6H12+H=CC6H11-B+H2 +2.650E+06 +2.200 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.154E+06 2.140 2.225E+04 /
+CC6H12+H=DC6H11-C+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 4.830E+06 2.060 2.002E+04 /
+CC6H12+OH=CC6H11-A+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.090E+09 0.970 2.103E+04 /
+CC6H12+OH=CC6H11-B+H2O +6.140E+02 +3.200 -3500.0 ! *:_:* LLNL *:_:*
+ REV/ 9.183E+03 3.140 3.391E+04 /
+CC6H12+OH=DC6H11-C+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.771E+08 1.560 3.239E+04 /
+CC6H12+CH3=CC6H11-A+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.082E+00 3.650 1.192E+04 /
+CC6H12+CH3=CC6H11-B+CH4 +4.613E+00 +3.100 +2330.0 ! *:_:* LLNL *:_:*
+ REV/ 4.163E+02 3.040 2.506E+04 /
+CC6H12+CH3=DC6H11-C+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 1.612E+03 3.060 2.369E+04 /
+CC6H12+HO2=CC6H11-A+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.603E+04 2.220 4.476E+03 /
+CC6H12+HO2=CC6H11-B+H2O2 +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.607E+05 2.110 1.310E+04 /
+CC6H12+HO2=DC6H11-C+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.917E+06 1.830 1.513E+04 /
+CC6H12+CH3O2=CC6H11-A+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.167E+05 2.050 1.456E+03 /
+CC6H12+CH3O2=CC6H11-B+CH3O2H +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 3.346E+05 1.930 1.008E+04 /
+CC6H12+CH3O2=DC6H11-C+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+07 1.660 1.211E+04 /
+CC6H12+CH3O=CC6H11-A+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.583E+09 0.020 9.018E+03 /
+CC6H12+CH3O=CC6H11-B+CH3OH +1.000E+01 +2.850 +5231.0 ! *:_:* LLNL *:_:*
+ REV/ 1.665E+01 2.810 2.575E+04 /
+CC6H12+CH3O=DC6H11-C+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.211E+03 2.540 2.779E+04 /
+DC6H12+H=DC6H11-A+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.181E+04 2.540 1.104E+04 /
+DC6H12+H=DC6H11-B+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 2.365E+02 2.970 1.135E+04 /
+DC6H12+H=DC6H11-C+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.420E+06 2.100 2.034E+04 /
+DC6H12+OH=DC6H11-A+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.121E+09 0.960 2.102E+04 /
+DC6H12+OH=DC6H11-B+H2O +5.733E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 9.751E+07 1.080 2.399E+04 /
+DC6H12+OH=DC6H11-C+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.567E+06 2.380 3.337E+04 /
+DC6H12+CH3=DC6H11-A+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.098E+00 3.640 1.191E+04 /
+DC6H12+CH3=DC6H11-B+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 6.168E-12 6.940 1.014E+04 /
+DC6H12+CH3=DC6H11-C+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.262E+03 3.050 2.461E+04 /
+DC6H12+HO2=DC6H11-A+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.685E+04 2.220 4.466E+03 /
+DC6H12+HO2=DC6H11-B+H2O2 +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.645E+01 2.800 2.994E+03 /
+DC6H12+HO2=DC6H11-C+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.622E+06 1.960 1.435E+04 /
+DC6H12+CH3O2=DC6H11-A+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.184E+05 2.040 1.446E+03 /
+DC6H12+CH3O2=DC6H11-B+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 7.590E+01 2.620 -2.600E+01 /
+DC6H12+CH3O2=DC6H11-C+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.378E+06 1.790 1.133E+04 /
+DC6H12+CH3O=DC6H11-A+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.723E+09 0.020 9.008E+03 /
+DC6H12+CH3O=DC6H11-B+CH3OH +2.290E+10 +0.000 +2873.0 ! *:_:* LLNL *:_:*
+ REV/ 4.337E+06 0.600 9.913E+03 /
+DC6H12+CH3O=DC6H11-C+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.525E+02 2.660 2.701E+04 /
+AC6H11-C+HO2=AC6H11O-C+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.774E+15 -0.900 1.556E+04 /
+AC6H11-C+CH3O2=AC6H11O-C+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.732E+17 -1.470 2.033E+04 /
+AC6H11-C+C2H5O2=AC6H11O-C+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.134E+14 -0.550 1.817E+04 /
+AC6H11-E=AC6H11-A2 +4.172E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.674E+14 -0.610 3.973E+04 /
+CC6H11-B+HO2=CC6H11O-B+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.162E+15 -1.000 1.707E+04 /
+CC6H11-B+CH3O2=CC6H11O-B+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.042E+17 -1.570 2.183E+04 /
+CC6H11-B+C2H5O2=CC6H11O-B+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.301E+14 -0.650 1.967E+04 /
+DC6H11-C+HO2=DC6H11O-C+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.350E+14 -0.730 1.541E+04 /
+DC6H11-C+CH3O2=DC6H11O-C+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.226E+16 -1.310 2.017E+04 /
+DC6H11-C+C2H5O2=DC6H11O-C+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.421E+13 -0.380 1.801E+04 /
+AC6H11O-C=C2H5CHO+C3H5-T +3.243E+22 -2.590 +30010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC6H11O-B=CH3COCH3+C3H5-S +7.180E+17 -1.200 +28370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+DC6H11O-C=IC3H7CHO+C2H3 +9.555E+16 -1.190 +23360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+DC6H11O-C=C2H3CHO+IC3H7 +2.420E+16 -0.790 +8741.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+AC6H11-A2=C3H4-A+NC3H7 +1.280E+28 -4.430 +72370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+AC6H11-C=IC5H8+CH3 +7.172E+20 -2.490 +52200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+AC6H11-D=C3H6+C3H5-T +1.329E+22 -2.890 +53720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+AC6H11-E=C2H4+IC4H7 +4.964E+23 -3.550 +43590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+BC6H11-E=C2H4+IC4H7-I1 +2.006E+17 -1.320 +43260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 7.800E+03 /
+CC6H11-A=C5H81-3+CH3 +2.461E+12 -0.040 +24210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+DC6H11-A=C3H6+C3H5-A +1.234E+18 -1.480 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+DC6H11-B=IC4H8+C2H3 +8.224E+12 -0.260 +37270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+AC6H13O2=AC6H13+O2 +1.607E+20 -1.643 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC6H13O2=BC6H13+O2 +3.300E+24 -2.549 +37300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+CC6H13O2=CC6H13+O2 +7.401E+22 -2.277 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC6H13O2=DC6H13+O2 +7.401E+22 -2.277 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+EC6H13O2=EC6H13+O2 +3.202E+20 -1.643 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC6H13+AC6H13O2=2AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.808E+13 -0.179 2.979E+04 /
+AC6H13+BC6H13O2=AC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.297E+13 -0.172 3.059E+04 /
+AC6H13+CC6H13O2=AC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.582E+13 -0.172 2.950E+04 /
+AC6H13+DC6H13O2=AC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.582E+13 -0.172 2.950E+04 /
+AC6H13+EC6H13O2=AC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.809E+13 -0.179 2.979E+04 /
+BC6H13+AC6H13O2=BC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+17 -1.078 3.218E+04 /
+BC6H13+BC6H13O2=2BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.122E+16 -1.071 3.298E+04 /
+BC6H13+CC6H13O2=BC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.422E+17 -1.071 3.189E+04 /
+BC6H13+DC6H13O2=BC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.422E+17 -1.071 3.189E+04 /
+BC6H13+EC6H13O2=BC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+17 -1.078 3.218E+04 /
+CC6H13+AC6H13O2=CC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.888E+15 -0.806 3.178E+04 /
+CC6H13+BC6H13O2=CC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.965E+15 -0.799 3.258E+04 /
+CC6H13+CC6H13O2=2CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+CC6H13+DC6H13O2=CC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+CC6H13+EC6H13O2=CC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.889E+15 -0.806 3.178E+04 /
+DC6H13+AC6H13O2=DC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.888E+15 -0.806 3.178E+04 /
+DC6H13+BC6H13O2=DC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.965E+15 -0.799 3.258E+04 /
+DC6H13+CC6H13O2=DC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+DC6H13+DC6H13O2=2DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+DC6H13+EC6H13O2=DC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.889E+15 -0.806 3.178E+04 /
+EC6H13+AC6H13O2=EC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.589E+13 -0.179 2.979E+04 /
+EC6H13+BC6H13O2=EC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.578E+13 -0.172 3.059E+04 /
+EC6H13+CC6H13O2=EC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.138E+13 -0.172 2.950E+04 /
+EC6H13+DC6H13O2=EC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.138E+13 -0.172 2.950E+04 /
+EC6H13+EC6H13O2=2EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.590E+13 -0.179 2.979E+04 /
+AC6H13+HO2=AC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.138E+15 -0.515 2.609E+04 /
+BC6H13+HO2=BC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+18 -1.414 2.848E+04 /
+CC6H13+HO2=CC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.956E+17 -1.142 2.807E+04 /
+DC6H13+HO2=DC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.956E+17 -1.142 2.807E+04 /
+EC6H13+HO2=EC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.268E+15 -0.515 2.609E+04 /
+AC6H13+CH3O2=AC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.120E+13 -0.216 3.033E+04 /
+BC6H13+CH3O2=BC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.827E+17 -1.115 3.272E+04 /
+CC6H13+CH3O2=CC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.849E+16 -0.843 3.231E+04 /
+DC6H13+CH3O2=DC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.849E+16 -0.843 3.231E+04 /
+EC6H13+CH3O2=EC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.419E+14 -0.216 3.033E+04 /
+AC6H13O2=AC6H12OOH-A +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.188E+11 -0.570 9.010E+03 /
+AC6H13O2=AC6H12OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 3.328E+09 0.008 1.301E+04 /
+AC6H13O2=AC6H12OOH-C +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 4.227E+09 -0.171 7.910E+03 /
+AC6H13O2=AC6H12OOH-D +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.283E+08 -0.171 6.110E+03 /
+AC6H13O2=AC6H12OOH-E +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.419E+09 -0.570 1.016E+04 /
+BC6H13O2=BC6H12OOH-A +6.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.337E+12 -0.496 1.393E+04 /
+BC6H13O2=BC6H12OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.912E+10 -0.150 1.389E+04 /
+BC6H13O2=BC6H12OOH-D +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.390E+09 -0.150 7.890E+03 /
+BC6H13O2=BC6H12OOH-E +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.045E+10 -0.496 6.880E+03 /
+CC6H13O2=CC6H12OOH-A +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.455E+11 -0.594 9.040E+03 /
+CC6H13O2=CC6H12OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.064E+10 -0.063 1.305E+04 /
+CC6H13O2=CC6H12OOH-D +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.829E+10 -0.145 1.390E+04 /
+CC6H13O2=CC6H12OOH-E +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.597E+11 -0.594 9.040E+03 /
+DC6H13O2=DC6H12OOH-A +9.376E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.319E+10 -0.594 6.990E+03 /
+DC6H13O2=DC6H12OOH-B +1.250E+10 +0.000 +19100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.330E+09 -0.063 8.050E+03 /
+DC6H13O2=DC6H12OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.829E+10 -0.145 1.390E+04 /
+DC6H13O2=DC6H12OOH-E +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.077E+12 -0.594 1.404E+04 /
+EC6H13O2=EC6H12OOH-A +1.172E+09 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 4.549E+09 -0.570 1.016E+04 /
+EC6H13O2=EC6H12OOH-B +1.563E+09 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.121E+08 0.008 5.960E+03 /
+EC6H13O2=EC6H12OOH-C +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.266E+10 -0.171 7.910E+03 /
+EC6H13O2=EC6H12OOH-D +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.013E+11 -0.171 1.391E+04 /
+AC6H13O2=AC6H12+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.256E+27 -5.362 2.069E+04 /
+BC6H13O2=AC6H12+HO2 +1.015E+43 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.319E+32 -7.214 1.660E+04 /
+BC6H13O2=BC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.629E+27 -5.738 1.847E+04 /
+CC6H13O2=BC6H12+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.292E+25 -4.892 1.877E+04 /
+CC6H13O2=CC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.846E+28 -5.812 1.835E+04 /
+DC6H13O2=CC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.846E+28 -5.812 1.835E+04 /
+DC6H13O2=DC6H12+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.683E+33 -7.290 1.675E+04 /
+EC6H13O2=DC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.565E+30 -6.284 2.054E+04 /
+AC6H13O2+HO2=AC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+13 -0.795 3.361E+04 /
+BC6H13O2+HO2=BC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.504E+13 -0.782 3.360E+04 /
+CC6H13O2+HO2=CC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.426E+13 -0.814 3.364E+04 /
+DC6H13O2+HO2=DC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.426E+13 -0.814 3.364E+04 /
+EC6H13O2+HO2=EC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.833E+13 -0.795 3.361E+04 /
+AC6H13O2+H2O2=AC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+BC6H13O2+H2O2=BC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+CC6H13O2+H2O2=CC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+DC6H13O2+H2O2=DC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+EC6H13O2+H2O2=EC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+AC6H13O2+CH3O2=AC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+CH3O2=BC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H13O2+CH3O2=CC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H13O2+CH3O2=DC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H13O2+CH3O2=EC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2AC6H13O2=O2+2AC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+BC6H13O2=O2+AC6H13O+BC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+CC6H13O2=O2+AC6H13O+CC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+DC6H13O2=O2+AC6H13O+DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+EC6H13O2=O2+AC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2BC6H13O2=O2+2BC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+CC6H13O2=O2+BC6H13O+CC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+DC6H13O2=O2+BC6H13O+DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+EC6H13O2=O2+BC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2CC6H13O2=O2+2CC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H13O2+DC6H13O2=O2+CC6H13O+DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H13O2+EC6H13O2=O2+CC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2DC6H13O2=O2+2DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H13O2+EC6H13O2=O2+DC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2EC6H13O2=O2+2EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2H=AC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.088E+07 1.923 -6.512E+03 /
+BC6H13O2H=BC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.378E+07 1.917 -5.702E+03 /
+CC6H13O2H=CC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.701E+07 1.950 -6.832E+03 /
+DC6H13O2H=DC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.701E+07 1.950 -6.832E+03 /
+EC6H13O2H=EC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.088E+07 1.923 -6.512E+03 /
+AC6H13O=CH2O+C5H11-2 +3.173E+17 -1.152 +22520.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+BC6H13O=NC3H7+CH3COCH3 +1.587E+24 -2.977 +17900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC6H13O=C2H5CHO+IC3H7 +3.297E+19 -1.568 +18240.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC6H13O=C2H5+IC3H7CHO +2.175E+22 -2.603 +21330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+DC6H13O=CH3CHO+IC4H9 +1.544E+22 -2.588 +19720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+EC6H13O=CH2O+DC5H11 +5.858E+20 -2.192 +25080.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC6H12OOH-B=A-BC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-A=A-AC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-C=A-CC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-D=A-DC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-E=A-EC6H12O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-A=A-BC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-C=B-CC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-D=B-DC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-E=B-EC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-B=B-CC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-D=C-DC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-A=A-CC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-E=C-EC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-C=C-DC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-E=D-EC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-B=B-DC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-A=A-DC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-D=D-EC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-C=C-EC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-B=B-EC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-A=A-EC6H12O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-B=AC6H12+HO2 +3.532E+18 -1.850 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 2.944E+11 0.000 1.205E+04 /
+BC6H12OOH-A=AC6H12+HO2 +2.871E+22 -2.692 +21460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.944E+11 0.000 1.205E+04 /
+BC6H12OOH-C=BC6H12+HO2 +1.485E+21 -2.522 +19140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.734E+11 0.000 1.009E+04 /
+CC6H12OOH-B=BC6H12+HO2 +2.538E+20 -2.391 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.734E+11 0.000 1.009E+04 /
+CC6H12OOH-D=CC6H12+HO2 +2.386E+20 -2.443 +20730.0 ! *:_:* LLNL *:_:*
+ REV/ 2.624E+11 0.000 1.154E+04 /
+DC6H12OOH-C=CC6H12+HO2 +2.386E+20 -2.443 +20730.0 ! *:_:* LLNL *:_:*
+ REV/ 2.624E+11 0.000 1.154E+04 /
+DC6H12OOH-E=DC6H12+HO2 +9.521E+21 -2.714 +22840.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+EC6H12OOH-D=DC6H12+HO2 +7.443E+19 -1.997 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+AC6H12OOH-A=OH+CH2O+C5H10-1 +4.295E+15 -0.580 +29390.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-C=OH+CH2O+C5H10-2 +5.329E+14 -0.450 +29220.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-D=HO2+2C3H6 +3.236E+17 -1.410 +27480.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-D=OH+CH3COCH3+C3H6 +4.444E+19 -1.880 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-A=OH+C2H5CHO+C3H6 +1.014E+20 -1.930 +28800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-E=OH+IC3H7CHO+C2H4 +1.522E+18 -1.520 +27560.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-B=OH+CH3CHO+IC4H8 +2.623E+16 -0.780 +27160.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-AO2=AC6H12OOH-A+O2 +2.635E+20 -1.578 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC6H12OOH-BO2=AC6H12OOH-B+O2 +7.484E+24 -2.472 +37410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC6H12OOH-CO2=AC6H12OOH-C+O2 +5.214E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC6H12OOH-DO2=AC6H12OOH-D+O2 +5.214E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC6H12OOH-EO2=AC6H12OOH-E+O2 +1.322E+20 -1.578 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC6H12OOH-AO2=BC6H12OOH-A+O2 +2.951E+20 -1.631 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC6H12OOH-CO2=BC6H12OOH-C+O2 +1.122E+23 -2.288 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+BC6H12OOH-DO2=BC6H12OOH-D+O2 +1.122E+23 -2.288 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+BC6H12OOH-EO2=BC6H12OOH-E+O2 +2.951E+20 -1.631 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC6H12OOH-AO2=CC6H12OOH-A+O2 +6.156E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC6H12OOH-DO2=CC6H12OOH-D+O2 +4.598E+22 -2.213 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+CC6H12OOH-EO2=CC6H12OOH-E+O2 +8.160E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC6H12OOH-BO2=CC6H12OOH-B+O2 +1.229E+24 -2.419 +37330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC6H12OOH-AO2=DC6H12OOH-A+O2 +6.156E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC6H12OOH-CO2=DC6H12OOH-C+O2 +4.598E+22 -2.213 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC6H12OOH-EO2=DC6H12OOH-E+O2 +8.160E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC6H12OOH-BO2=DC6H12OOH-B+O2 +1.229E+24 -2.419 +37330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+EC6H12OOH-AO2=EC6H12OOH-A+O2 +9.977E+19 -1.578 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+EC6H12OOH-CO2=EC6H12OOH-C+O2 +1.741E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+EC6H12OOH-DO2=EC6H12OOH-D+O2 +1.741E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+EC6H12OOH-BO2=EC6H12OOH-B+O2 +6.261E+23 -2.472 +37410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC6H12OOH-AO2=IC6KETAA+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.062E+03 1.447 4.443E+04 /
+AC6H12OOH-BO2=IC6KETAB+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.341E+04 1.254 4.872E+04 /
+AC6H12OOH-CO2=IC6KETAC+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.171E+03 1.389 4.447E+04 /
+AC6H12OOH-DO2=IC6KETAD+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 3.964E+02 1.389 4.242E+04 /
+AC6H12OOH-EO2=IC6KETAE+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.306E+01 1.447 4.558E+04 /
+CC6H12OOH-AO2=IC6KETCA+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.074E+02 1.815 4.388E+04 /
+CC6H12OOH-BO2=IC6KETCB+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.403E+03 1.669 4.919E+04 /
+CC6H12OOH-DO2=IC6KETCD+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.554E+03 1.644 4.909E+04 /
+CC6H12OOH-EO2=IC6KETCE+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.074E+02 1.815 4.388E+04 /
+DC6H12OOH-AO2=IC6KETDA+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.064E+01 1.871 4.210E+04 /
+DC6H12OOH-BO2=IC6KETDB+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 6.176E+01 1.927 4.391E+04 /
+DC6H12OOH-CO2=IC6KETDC+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.662E+03 1.727 4.908E+04 /
+DC6H12OOH-EO2=IC6KETDE+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.120E+02 1.858 5.003E+04 /
+EC6H12OOH-AO2=IC6KETEA+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.966E+01 1.506 4.587E+04 /
+EC6H12OOH-BO2=IC6KETEB+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.620E+02 1.502 4.268E+04 /
+EC6H12OOH-CO2=IC6KETEC+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.192E+03 1.514 4.472E+04 /
+EC6H12OOH-DO2=IC6KETED+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.087E+01 0.815 4.849E+04 /
+IC6KETAA=CH2O+C4H8CHO-4+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAB=NC3H7COCH3+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAC=C2H5CHO+CH3CHCHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAD=CH3CHO+IC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAE=CH2O+C4H8CHO4-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCA=CH2O+C2H5COC2H4S+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCB=CH3COCH3+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCD=CH3CHO+IC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCE=CH2O+IC3H7COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDA=CH2O+C3H6COCH3-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDB=CH3COCH3+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDC=IC3H7CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDE=CH2O+IC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETEA=CH2O+C4H8CHO-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETEB=CH3COCH3+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETEC=IC3H7CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETED=IC4H9CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+OH=C5H10CHO1-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+OH=C5H10CHO2-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+OH=C5H10CHO3-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+OH=C5H10CHO4-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+OH=C5H10CHO5-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+OH=IC3H5CHO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+OH=IC4H7+CH3CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+OH=AC5H9-C+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+OH=IC3H7COC2H4S+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+OH=CC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+OH=DC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+OH=C5H91-2+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+OH=C5H91-2+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+OH=IC3H6COC2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+OH=IC3H6CH2COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+OH=AC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+OH=TC3H6COC2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+OH=TC3H6CH2COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+OH=BC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+OH=IC3H7CHCOCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+OH=IC3H7COC2H4P+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+OH=IC4H9COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+HO2=C5H10CHO1-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+HO2=C5H10CHO2-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+HO2=C5H10CHO3-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+HO2=C5H10CHO4-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+HO2=C5H10CHO5-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+HO2=IC3H5CHO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+HO2=IC4H7+CH3CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+HO2=AC5H9-C+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+HO2=IC3H7COC2H4S+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+HO2=CC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+HO2=DC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+HO2=C5H91-2+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+HO2=C5H91-2+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+HO2=IC3H6COC2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+HO2=IC3H6CH2COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+HO2=AC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+HO2=TC3H6COC2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+HO2=TC3H6CH2COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+HO2=BC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+HO2=IC3H7CHCOCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+HO2=IC3H7COC2H4P+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+HO2=IC4H9COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OH=AC6H12+OH +1.780E+14 -0.340 +28270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+AO2C6H12OH=AC6H12OH+O2 +1.164E+22 -2.160 +37130.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+AO2C6H12OH=NC3H7COCH3+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OH=BC6H12+OH +8.399E+15 -0.840 +29850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+BO2C6H12OH=BC6H12OH+O2 +1.229E+22 -2.170 +37140.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+BO2C6H12OH=CH3COCH3+C2H5CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OH=CC6H12+OH +1.146E+16 -1.010 +29470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CO2C6H12OH=CC6H12OH+O2 +2.557E+21 -1.970 +37760.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CO2C6H12OH=IC3H7CHO+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OH=DC6H12+OH +5.702E+14 -0.540 +27610.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+DO2C6H12OH=DC6H12OH+O2 +1.724E+21 -1.910 +37750.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+DO2C6H12OH=IC4H9CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4H9CHO-2+OH=NC4H9CO-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.193E+12 0.000 3.093E+04 /
+NC4H9CHO-2+OH=C4H8CHO1-2+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 6.470E+05 1.990 1.914E+04 /
+NC4H9CHO-2+OH=C4H8CHO2-2+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.214E+13 -0.180 2.993E+04 /
+NC4H9CHO-2+OH=C4H8CHO3-2+H2O +2.900E+09 +1.000 +258.0 ! *:_:* LLNL *:_:*
+ REV/ 2.871E+07 1.380 2.215E+04 /
+NC4H9CHO-2+OH=C4H8CHO4-2+H2O +3.160E+07 +1.800 +934.0 ! *:_:* LLNL *:_:*
+ REV/ 6.553E+06 1.790 2.037E+04 /
+NC4H9CHO-2+HO2=NC4H9CO-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.863E+12 -0.330 1.200E+04 /
+NC4H9CHO-2+HO2=C4H8CHO1-2+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.930E+04 2.210 4.471E+03 /
+NC4H9CHO-2+HO2=C4H8CHO2-2+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.424E+12 -0.510 1.117E+04 /
+NC4H9CHO-2+HO2=C4H8CHO3-2+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 5.665E+02 2.650 4.342E+03 /
+NC4H9CHO-2+HO2=C4H8CHO4-2+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.930E+04 2.210 4.471E+03 /
+NC4H9CHO-2+CH3O2=NC4H9CO-2+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.588E+13 -0.510 1.128E+04 /
+NC4H9CHO-2+CH3O2=C4H8CHO1-2+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.204E+05 2.040 3.751E+03 /
+NC4H9CHO-2+CH3O2=C4H8CHO2-2+CH3O2H +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.407E+13 -0.690 1.045E+04 /
+NC4H9CHO-2+CH3O2=C4H8CHO3-2+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.328E+03 2.470 3.622E+03 /
+NC4H9CHO-2+CH3O2=C4H8CHO4-2+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.204E+05 2.040 3.751E+03 /
+NC4H9CO-2=SC4H9+CO +1.527E+13 -0.090 +10650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H8CHO1-2=C2H3CHO+C2H5 +8.937E+16 -1.180 +26200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C4H8CHO1-2=C4H8-1+HCO +4.045E+16 -1.200 +26670.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C4H8CHO2-2=IC3H5CHO+CH3 +2.027E+14 -0.450 +34550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 1.060E+04 /
+C4H8CHO3-2=C4H8-2+HCO +2.801E+15 -1.060 +21570.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+C4H8CHO4-2=CH3CHCHO+C2H4 +4.387E+16 -1.470 +26490.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.130E+04 /
+IC4H9CHO+OH=IC4H9CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.623E+10 0.760 3.118E+04 /
+IC4H9CHO+OH=TC3H6CH2CHO+H2O +2.700E+09 +1.000 -149.0 ! *:_:* LLNL *:_:*
+ REV/ 1.043E+07 1.560 2.379E+04 /
+IC4H9CHO+OH=IC3H6CH2CHO+H2O +3.160E+07 +1.800 +934.0 ! *:_:* LLNL *:_:*
+ REV/ 5.174E+06 1.820 2.033E+04 /
+IC4H9CHO+OH=IC3H7CHCHO+H2O +2.900E+09 +1.000 +258.0 ! *:_:* LLNL *:_:*
+ REV/ 7.228E+10 0.740 2.915E+04 /
+IC4H9CHO+HO2=IC4H9CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.075E+13 -0.320 1.199E+04 /
+IC4H9CHO+HO2=TC3H6CH2CHO+H2O2 +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 8.276E+01 2.780 3.004E+03 /
+IC4H9CHO+HO2=IC3H6CH2CHO+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.627E+04 2.240 4.430E+03 /
+IC4H9CHO+HO2=IC3H7CHCHO+H2O2 +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.426E+06 2.010 8.942E+03 /
+IC4H9CHO+CH3O2=IC4H9CO+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.121E+13 -0.500 1.294E+04 /
+IC4H9CHO+CH3O2=TC3H6CH2CHO+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.401E+02 2.600 2.284E+03 /
+IC4H9CHO+CH3O2=IC3H6CH2CHO+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.901E+05 2.070 3.710E+03 /
+IC4H9CHO+CH3O2=IC3H7CHCHO+CH3O2H +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 5.861E+06 1.830 8.222E+03 /
+IC4H9CO=IC4H9+CO +4.416E+16 -1.000 +13350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC4H9CO=IC3H7+CH2CO +6.784E+12 +0.170 +36340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+TC3H6CH2CHO=IC4H8+HCO +1.393E+14 -0.550 +23240.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+IC3H6CH2CHO=C3H6+CH2CHO +1.569E+16 -1.120 +25870.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+IC3H6CH2CHO=AC3H5CHO+CH3 +1.915E+15 -0.720 +32870.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+IC3H7CHCHO=SC3H5CHO+CH3 +4.405E+15 -0.640 +32150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 1.060E+04 /
+IC5H11CHO+OH=IC5H11CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.167E+12 0.000 3.092E+04 /
+IC5H11CHO+OH=AC5H10CHO+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.031E+07 1.530 2.820E+04 /
+IC5H11CHO+OH=BC5H10CHO+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 5.634E+09 0.580 2.313E+04 /
+IC5H11CHO+OH=CC5H10CHO+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 4.277E+05 1.990 2.167E+04 /
+IC5H11CHO+OH=DC5H10CHO+H2O +2.900E+09 +1.000 +258.0 ! *:_:* LLNL *:_:*
+ REV/ 7.660E+10 0.730 2.916E+04 /
+IC5H11CHO+HO2=IC5H11CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.145E+13 -0.330 1.200E+04 /
+IC5H11CHO+HO2=AC5H10CHO+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.598E+04 2.220 4.456E+03 /
+IC5H11CHO+HO2=BC5H10CHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.589E+09 0.250 4.372E+03 /
+IC5H11CHO+HO2=CC5H10CHO+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.933E+11 0.020 8.152E+03 /
+IC5H11CHO+HO2=DC5H10CHO+H2O2 +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.511E+06 2.000 8.952E+03 /
+IC5H11CHO+CH3O2=IC5H11CO+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.392E+13 -0.510 1.295E+04 /
+IC5H11CHO+CH3O2=AC5H10CHO+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.301E+05 2.040 3.736E+03 /
+IC5H11CHO+CH3O2=BC5H10CHO+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 2.946E+02 2.620 2.264E+03 /
+IC5H11CHO+CH3O2=CC5H10CHO+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.782E+03 2.450 3.642E+03 /
+IC5H11CHO+CH3O2=DC5H10CHO+CH3O2H +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 6.211E+06 1.820 8.232E+03 /
+IC5H11CO=DC5H11+CO +3.415E+16 -1.030 +13530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC5H11CO=IC4H9+CH2CO +3.027E+16 -0.880 +38490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+AC5H10CHO=C3H6+CH2CH2CHO +2.046E+19 -1.590 +31560.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+BC5H10CHO=IC4H8+CH2CHO +5.410E+15 -1.130 +27480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+CC5H10CHO=CC5H10+HCO +3.081E+14 -0.660 +26330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+CC5H10CHO=C4H7CHO2-1+CH3 +3.343E+14 -0.560 +32520.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+DC5H10CHO=IC3H7+C2H3CHO +1.215E+16 -0.540 +33260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+C4H7CHO2-1+OH=C4H7CO2-1+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.191E+12 -0.010 3.093E+04 /
+C4H7CHO2-1+OH=C4H6CHO2-11+H2O +2.080E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 7.592E+07 1.800 3.491E+04 /
+C4H7CHO2-1+OH=C4H6CHO1-43+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.540E+08 1.670 3.310E+04 /
+C4H7CHO2-1+OH=C2H5CHO+CH2CHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.065E+09 0.490 2.428E+04 /
+C4H7CHO2-1+HO2=C4H7CO2-1+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.859E+12 -0.330 1.200E+04 /
+C4H7CHO2-1+HO2=C4H6CHO1-43+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.824E+06 1.940 1.585E+04 /
+C4H7CHO2-1+HO2=C4H6CHO2-11+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.196E+06 2.070 1.766E+04 /
+C4H7CHO2-1+CH3O2=C4H7CO2-1+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.440E+13 -0.510 1.296E+04 /
+C4H7CHO2-1+CH3O2=C4H6CHO1-43+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.396E+15 -0.840 1.827E+04 /
+C4H7CHO2-1+CH3O2=C4H6CHO2-11+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.772E+15 -0.710 2.008E+04 /
+C4H7CO2-1=C4H71-3+CO +2.943E+09 +0.540 +1710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H6CHO2-11+HO2=SC3H5CHO+HCO+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5H11CHO-2+OH=NC5H11CO-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.192E+12 -0.010 3.093E+04 /
+NC5H11CHO-2+OH=C5H10CHO1-2+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.363E+06 1.980 1.915E+04 /
+NC5H11CHO-2+OH=C5H10CHO2-2+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.205E+13 -0.180 2.992E+04 /
+NC5H11CHO-2+OH=C5H10CHO3-2+H2O +9.340E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 9.440E+05 1.980 2.186E+04 /
+NC5H11CHO-2+OH=C5H10CHO4-2+H2O +9.340E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 9.440E+05 1.980 2.186E+04 /
+NC5H11CHO-2+OH=C5H10CHO5-2+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.363E+06 1.980 1.915E+04 /
+NC5H11CHO-2+HO2=NC5H11CO-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.861E+12 -0.330 1.200E+04 /
+NC5H11CHO-2+HO2=C5H10CHO1-2+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 7.159E+04 2.210 4.462E+03 /
+NC5H11CHO-2+HO2=C5H10CHO2-2+H2O2 +1.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.248E+11 -0.510 1.116E+04 /
+NC5H11CHO-2+HO2=C5H10CHO3-2+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.770E+03 2.650 4.342E+03 /
+NC5H11CHO-2+HO2=C5H10CHO4-2+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.770E+03 2.650 4.342E+03 /
+NC5H11CHO-2+HO2=C5H10CHO5-2+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 7.159E+04 2.210 4.462E+03 /
+NC5H11CHO-2+CH3O2=NC5H11CO-2+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.587E+13 -0.510 1.128E+04 /
+NC5H11CHO-2+CH3O2=C5H10CHO1-2+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.214E+13 -0.520 6.637E+03 /
+NC5H11CHO-2+CH3O2=C5H10CHO2-2+CH3O2H +1.000E+10 +0.000 +11910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.746E+12 -0.680 1.043E+04 /
+NC5H11CHO-2+CH3O2=C5H10CHO3-2+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.812E+11 -0.130 6.764E+03 /
+NC5H11CHO-2+CH3O2=C5H10CHO4-2+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.812E+11 -0.130 6.764E+03 /
+NC5H11CHO-2+CH3O2=C5H10CHO5-2+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.214E+13 -0.520 6.637E+03 /
+NC5H11CO-2=NC3H7+CH3CHCO +3.372E+18 -1.460 +39750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C5H10CHO1-2=C5H10-1+HCO +3.451E+15 -0.800 +26680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C5H10CHO2-2=IC3H5CHO+C2H5 +1.186E+18 -1.360 +33170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+C5H10CHO3-2=C5H10-2+HCO +4.590E+15 -1.010 +26270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C5H10CHO4-2=C3H6+CH3CHCHO +6.154E+15 -1.060 +23010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+C5H10CHO5-2=C2H4+IC3H6CHO +1.549E+18 -1.600 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC4H9COCH3+OH=IC4H9COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.765E+13 -0.700 2.767E+04 /
+IC4H9COCH3+OH=IC3H6CH2COCH3+H2O +1.510E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.780E+09 0.980 2.100E+04 /
+IC4H9COCH3+OH=IC3H7CHCOCH3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.703E+13 -0.240 2.864E+04 /
+IC4H9COCH3+OH=TC3H6CH2COCH3+H2O +5.730E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.778E+08 1.100 2.397E+04 /
+IC4H9COCH3+HO2=IC4H9COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.874E+07 1.520 9.702E+03 /
+IC4H9COCH3+HO2=IC3H6CH2COCH3+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.202E+04 2.230 4.442E+03 /
+IC4H9COCH3+HO2=IC3H7CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.393E+13 -0.560 6.100E+03 /
+IC4H9COCH3+HO2=TC3H6CH2COCH3+H2O2 +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.157E+10 0.260 8.442E+03 /
+IC4H9COCH3+CH3O2=IC4H9COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 9.740E+15 -1.210 1.187E+04 /
+IC4H9COCH3+CH3O2=IC3H6CH2COCH3+CH3O2H +6.020E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.703E+13 -0.500 6.612E+03 /
+IC4H9COCH3+CH3O2=IC3H7CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 9.832E+14 -0.740 1.193E+04 /
+IC4H9COCH3+CH3O2=TC3H6CH2COCH3+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 2.732E+02 2.630 2.254E+03 /
+IC4H9COCH2=IC4H9+CH2CO +8.291E+18 -1.520 +44360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC3H6CH2COCH3=C3H6+CH3COCH2 +3.606E+17 -1.220 +30350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC3H7CHCOCH3=IC3H5COCH3+CH3 +2.901E+16 -0.890 +34510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC3H6CH2COCH3=IC4H8+CH3CO +6.148E+17 -1.450 +31780.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+C5H10-1+OH=PC4H9+CH2O +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.040E+04 /
+C5H10-2+OH=C2H5+C2H5CHO +1.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+C5H10-2+OH=NC3H7+CH3CHO +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+C5H10-2+O=C3H6+CH3CHO +1.000E+10 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 8.100E+04 /
+C5H10-1+O=PC4H9+HCO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10-1+O=NC3H7+CH3CO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4H9CHO+HO2=C4H8CHO-1+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.833E+04 2.200 4.471E+03 /
+NC4H9CHO+HO2=C4H8CHO-2+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.282E+03 2.600 4.399E+03 /
+NC4H9CHO+HO2=C4H8CHO-3+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.282E+03 2.600 4.399E+03 /
+NC4H9CHO+HO2=C4H8CHO-4+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.506E+06 2.000 1.135E+04 /
+NC4H9CHO+CH3O2=C4H8CHO-1+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.442E+13 -0.530 6.646E+03 /
+NC4H9CHO+CH3O2=C4H8CHO-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 7.106E+11 -0.180 6.821E+03 /
+NC4H9CHO+CH3O2=C4H8CHO-3+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 7.106E+11 -0.180 6.821E+03 /
+NC4H9CHO+CH3O2=C4H8CHO-4+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.498E+15 -0.770 1.377E+04 /
+IC3H7COC2H5+OH=IC3H6COC2H5+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.119E+07 1.520 2.821E+04 /
+IC3H7COC2H5+OH=TC3H6COC2H5+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 2.480E+13 -0.190 2.992E+04 /
+IC3H7COC2H5+OH=IC3H7COC2H4P+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.040E+11 -0.010 2.063E+04 /
+IC3H7COC2H5+OH=IC3H7COC2H4S+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.064E+09 1.360 2.884E+04 /
+IC3H7COC2H5+HO2=IC3H6COC2H5+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.315E+04 2.220 3.472E+03 /
+IC3H7COC2H5+HO2=TC3H6COC2H5+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 6.993E+12 -0.510 1.116E+04 /
+IC3H7COC2H5+HO2=IC3H7COC2H4P+H2O2 +1.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.670E+04 2.220 3.472E+03 /
+IC3H7COC2H5+HO2=IC3H7COC2H4S+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.994E+06 2.020 1.132E+04 /
+IC3H7COC2H5+CH3O2=IC3H6COC2H5+CH3O2H +2.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 9.945E+04 2.040 2.752E+03 /
+IC3H7COC2H5+CH3O2=TC3H6COC2H5+CH3O2H +3.610E+03 +2.550 +8032.0 ! *:_:* LLNL *:_:*
+ REV/ 1.297E+06 1.860 6.554E+03 /
+IC3H7COC2H5+CH3O2=IC3H7COC2H4P+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.998E+13 -0.510 6.627E+03 /
+IC3H7COC2H5+CH3O2=IC3H7COC2H4S+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.834E+14 -0.760 1.374E+04 /
+IC3H6COC2H5=C3H6+C2H5CO +7.391E+18 -1.590 +25680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+TC3H6COC2H5=IC3H5COC2H5+H +4.683E+17 -0.850 +43890.0 ! *:_:* LLNL *:_:*
+ REV/ 3.100E+13 0.000 1.500E+03 /
+IC3H7COC2H4P=IC3H7CO+C2H4 +1.188E+18 -1.510 +26110.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC3H7COC2H4S=CH3CHCO+IC3H7 +8.306E+16 -0.680 +40410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H5COC2H5+OH=AC3H4COC2H5+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.534E+08 1.450 3.240E+04 /
+IC3H5COC2H5+OH=IC3H5COC2H4P+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.028E+11 0.000 2.062E+04 /
+IC3H5COC2H5+OH=IC3H5COC2H4S+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 8.211E+08 1.390 2.881E+04 /
+IC3H5COC2H5+OH=CH3COCH3+C2H5CO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.042E+10 0.150 2.655E+04 /
+IC3H5COC2H5+HO2=AC3H4COC2H5+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.482E+06 1.720 1.514E+04 /
+IC3H5COC2H5+HO2=IC3H5COC2H4P+H2O2 +1.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.652E+04 2.220 3.467E+03 /
+IC3H5COC2H5+HO2=IC3H5COC2H4S+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.539E+06 2.060 1.129E+04 /
+IC3H5COC2H5+CH3O2=AC3H4COC2H5+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.499E+15 -1.050 1.756E+04 /
+IC3H5COC2H5+CH3O2=IC3H5COC2H4P+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.966E+13 -0.510 6.622E+03 /
+IC3H5COC2H5+CH3O2=IC3H5COC2H4S+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 7.591E+14 -0.720 1.371E+04 /
+AC3H4COC2H5=C3H4-A+C2H5CO +8.689E+23 -2.930 +57300.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+IC3H5COC2H4P=C2H4+IC3H5CO +2.874E+16 -1.240 +18830.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC3H5COC2H4S=CH3CHCO+C3H5-T +1.418E+21 -1.910 +55640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H7COCH3+OH=IC3H6COCH3+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.784E+07 1.460 2.827E+04 /
+IC3H7COCH3+OH=TC3H6COCH3+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 2.420E+13 -0.180 2.992E+04 /
+IC3H7COCH3+OH=IC3H7COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 8.225E+13 -0.730 2.770E+04 /
+IC3H7COCH3+HO2=IC3H6COCH3+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.086E+04 2.160 3.532E+03 /
+IC3H7COCH3+HO2=TC3H6COCH3+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 6.824E+12 -0.510 1.116E+04 /
+IC3H7COCH3+HO2=IC3H7COCH2+H2O2 +1.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.321E+07 1.490 1.054E+04 /
+IC3H7COCH3+CH3O2=IC3H6COCH3+CH3O2H +2.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.526E+05 1.980 2.812E+03 /
+IC3H7COCH3+CH3O2=TC3H6COCH3+CH3O2H +3.610E+03 +2.550 +8032.0 ! *:_:* LLNL *:_:*
+ REV/ 1.265E+06 1.860 6.554E+03 /
+IC3H7COCH3+CH3O2=IC3H7COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.184E+16 -1.230 1.190E+04 /
+TC3H6COCH3+O2=CH3COCH3+CH2CO+OH +3.620E+10 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC3H6COCH3+O2=IC3H5COCH3+HO2 +2.725E+11 +0.000 +7240.0 ! *:_:* LLNL *:_:*
+ REV/ 6.631E+09 0.170 1.482E+04 /
+TC3H6COCH3=IC3H5COCH3+H +1.830E+17 -0.840 +43940.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+13 0.000 1.560E+03 /
+TC3H6COCH3=IC3H6CO+CH3 +2.440E+15 -0.420 +41500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 1.060E+04 /
+IC3H7COCH2=IC3H7+CH2CO +2.880E+15 -0.540 +39940.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+IC3H6COCH3=C3H6+CH3CO +5.490E+18 -1.580 +27960.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+C5H91-2=C3H4-A+C2H5 +6.182E+18 -1.610 +32160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 7.800E+03 /
+IC5H8=C3H5-T+C2H3 +3.464E+26 -2.610 +116300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+IC5H8+O2=IC5H7+HO2 +3.000E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.168E+12 -0.280 1.800E+01 /
+IC5H8+H=IC5H7+H2 +1.700E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 6.763E+06 1.890 2.009E+04 /
+IC5H8+O=IC5H7+OH +6.030E+10 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+ REV/ 1.054E+12 0.090 2.314E+04 /
+IC5H8+OH=IC5H7+H2O +2.600E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 4.478E+08 1.390 3.246E+04 /
+IC5H8+CH3=IC5H7+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 3.692E+02 3.080 2.287E+04 /
+IC5H8+HO2=IC5H7+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 9.856E+06 1.660 1.520E+04 /
+IC5H8+CH3O2=IC5H7+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.987E+07 1.490 1.197E+04 /
+IC5H7=C3H4-A+C2H3 +2.850E+15 -0.180 +73840.0 ! *:_:* LLNL *:_:*
+ REV/ 1.890E+03 2.480 8.520E+03 /
+IC5H7+HO2=IC5H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.643E+13 -0.200 1.248E+04 /
+IC5H7+CH3O2=IC5H7O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.044E+11 0.350 1.592E+04 /
+IC5H7O=C4H5+CH2O +1.575E+21 -2.250 +32480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+C4H5=C2H3+C2H2 +3.980E+11 +0.700 +42260.0 ! *:_:* LLNL *:_:*
+ REV/ 8.764E+09 0.780 4.450E+03 /
+IC4H7-I1=C3H4-P+CH3 +2.103E+12 +0.080 +29950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+C7H16-24=XC7H15+H +6.734E+16 -0.357 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C7H16-24=YC7H15+H +2.631E+18 -0.878 +96690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C7H16-24=ZC7H15+H +9.926E+17 -0.697 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C7H16-24=DC6H13+CH3 +2.330E+24 -2.245 +89140.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+C7H16-24=IC3H7+IC4H9 +2.401E+25 -2.552 +88320.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+C7H16-24+H=XC7H15+H2 +3.760E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 8.049E+01 3.383 8.612E+03 /
+C7H16-24+H=YC7H15+H2 +1.204E+06 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 6.597E+00 3.554 9.453E+03 /
+C7H16-24+H=ZC7H15+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.888E+01 3.373 9.324E+03 /
+C7H16-24+CH3=XC7H15+CH4 +1.814E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 3.544E-01 3.837 1.103E+04 /
+C7H16-24+CH3=YC7H15+CH4 +1.202E-09 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 6.011E-12 7.068 9.303E+03 /
+C7H16-24+CH3=ZC7H15+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.113E+03 2.660 1.397E+04 /
+C7H16-24+C2H5=XC7H15+C2H6 +2.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+C7H16-24+C2H5=YC7H15+C2H6 +2.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+C7H16-24+C2H5=ZC7H15+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+C7H16-24+O=XC7H15+OH +5.394E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 6.061E+03 2.647 6.056E+03 /
+C7H16-24+O=YC7H15+OH +7.936E+05 +2.401 +1150.0 ! *:_:* LLNL *:_:*
+ REV/ 2.283E+00 3.535 6.608E+03 /
+C7H16-24+O=ZC7H15+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.532E+00 3.392 6.287E+03 /
+C7H16-24+OH=XC7H15+H2O +2.108E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 4.801E+07 1.497 1.881E+04 /
+C7H16-24+OH=YC7H15+H2O +1.146E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.170E+11 0.510 2.160E+04 /
+C7H16-24+OH=ZC7H15+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.395E+05 1.940 2.191E+04 /
+C7H16-24+HO2=XC7H15+H2O2 +1.620E+05 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.007E+04 2.438 3.022E+03 /
+C7H16-24+HO2=YC7H15+H2O2 +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 4.758E+01 2.959 3.129E+03 /
+C7H16-24+HO2=ZC7H15+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.943E+02 2.778 3.715E+03 /
+C7H16-24+CH3O=XC7H15+CH3OH +6.400E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+C7H16-24+CH3O=YC7H15+CH3OH +3.800E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+C7H16-24+CH3O=ZC7H15+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+C7H16-24+O2=XC7H15+HO2 +8.400E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 9.433E+10 0.285 4.480E+02 /
+C7H16-24+O2=YC7H15+HO2 +1.400E+13 +0.000 +48000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.024E+08 0.806 1.860E+02 /
+C7H16-24+O2=ZC7H15+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.067E+09 0.625 3.190E+02 /
+C7H16-24+C2H3=XC7H15+C2H4 +2.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+C7H16-24+C2H3=YC7H15+C2H4 +4.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 2.300E+04 /
+C7H16-24+C2H3=ZC7H15+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+C7H16-24+CH3O2=XC7H15+CH3O2H +1.620E+05 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.905E+05 1.993 1.427E+03 /
+C7H16-24+CH3O2=YC7H15+CH3O2H +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 9.256E+02 2.514 1.534E+03 /
+C7H16-24+CH3O2=ZC7H15+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.616E+03 2.333 2.120E+03 /
+C7H16-24+XC7H15O2=XC7H15+XC7H15O2H +3.360E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+YC7H15O2=XC7H15+YC7H15O2H +3.360E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+ZC7H15O2=XC7H15+ZC7H15O2H +3.360E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+XC7H15O2=YC7H15+XC7H15O2H +5.600E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+YC7H15O2=YC7H15+YC7H15O2H +5.600E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+ZC7H15O2=YC7H15+ZC7H15O2H +5.600E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+XC7H15O2=ZC7H15+XC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+YC7H15O2=ZC7H15+YC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+ZC7H15O2=ZC7H15+ZC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+XC7H15=YC7H15+C7H16-24 +3.360E+13 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 1.230E+04 /
+C7H16-24+XC7H15=ZC7H15+C7H16-24 +5.600E+12 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.600E+11 0.000 1.230E+04 /
+C7H16-24+YC7H15=ZC7H15+C7H16-24 +5.600E+12 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.300E+11 0.000 7.900E+03 /
+C7H16-24+O2CHO=XC7H15+HO2CHO +3.360E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 2.293E+03 2.300 3.057E+03 /
+C7H16-24+O2CHO=YC7H15+HO2CHO +5.600E+12 +0.000 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 9.781E+00 2.820 3.173E+03 /
+C7H16-24+O2CHO=ZC7H15+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.592E+01 2.640 2.829E+03 /
+XC7H15=C3H6+IC4H9 +8.429E+20 -2.220 +32420.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+XC7H15=DC6H12+CH3 +2.009E+19 -1.803 +33330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+XC7H15=XC7H14+H +5.612E+14 -0.291 +34450.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+YC7H15=IC3H7+IC4H8 +2.220E+20 -2.060 +32470.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 9.200E+03 /
+YC7H15=XC7H14+H +1.437E+13 +0.230 +37690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 1.200E+03 /
+YC7H15=YC7H14+H +3.093E+13 +0.049 +36390.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+ZC7H15=CC6H12+CH3 +2.906E+18 -1.641 +33250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+ZC7H15=YC7H14+H +8.198E+13 -0.132 +34370.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+XC7H15+O2=XC7H14+HO2 +1.500E-29 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+YC7H15+O2=XC7H14+HO2 +6.000E-29 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+YC7H15+O2=YC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+ZC7H15+O2=YC7H14+HO2 +3.000E-29 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+XC7H15=YC7H15 +3.708E+11 +0.000 +23720.0 ! *:_:* LLNL *:_:*
+ REV/ 9.491E+09 0.521 2.826E+04 /
+XC7H14=IC3H7+IC4H7 +2.211E+24 -2.392 +74670.0 ! *:_:* LLNL *:_:*
+ REV/ 1.280E+14 -0.350 0.000E+00 /
+YC7H14=CH3+CC6H11-B +4.469E+22 -2.128 +75430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.930E+14 -0.320 0.000E+00 /
+XC7H15+HO2=XC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.510E+14 -0.475 2.604E+04 /
+YC7H15+HO2=YC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.414E+18 -1.326 2.840E+04 /
+ZC7H15+HO2=ZC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.777E+17 -1.178 2.810E+04 /
+XC7H15+CH3O2=XC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.323E+13 -0.176 3.028E+04 /
+YC7H15+CH3O2=YC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.510E+17 -1.027 3.264E+04 /
+ZC7H15+CH3O2=ZC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.865E+16 -0.879 3.234E+04 /
+XC7H14+OH=CH2O+DC6H13 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14+OH=CH3COCH3+IC4H9 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14+OH=CH3COCH3+IC4H9 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14+O=CH2O+CC6H12 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14+O=CH3COCH3+IC4H8 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14+H=XC7H13-X1+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 7.047E+06 1.890 2.013E+04 /
+XC7H14+H=XC7H13-Z+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.418E+06 2.100 2.037E+04 /
+XC7H14+H=XC7H13-Y2+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 4.739E+02 2.970 1.118E+04 /
+XC7H14+H=XC7H13-X2+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.881E+04 2.520 1.108E+04 /
+XC7H14+OH=XC7H13-X1+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.503E+08 1.390 3.250E+04 /
+XC7H14+OH=XC7H13-Z+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.566E+06 2.380 3.340E+04 /
+XC7H14+OH=XC7H13-Y2+H2O +5.733E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.954E+08 1.080 2.382E+04 /
+XC7H14+OH=XC7H13-X2+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.361E+09 0.950 2.106E+04 /
+XC7H14+CH3=XC7H13-X1+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.352E+03 2.890 2.380E+04 /
+XC7H14+CH3=XC7H13-Z+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.262E+03 3.050 2.464E+04 /
+XC7H14+CH3=XC7H13-Y2+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 1.236E-11 6.940 9.973E+03 /
+XC7H14+CH3=XC7H13-X2+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.222E+00 3.630 1.195E+04 /
+XC7H14+HO2=XC7H13-X1+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.009E+07 1.660 1.524E+04 /
+XC7H14+HO2=XC7H13-Z+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.621E+06 1.960 1.438E+04 /
+XC7H14+HO2=XC7H13-Y2+H2O2 +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 7.304E+01 2.800 2.824E+03 /
+XC7H14+HO2=XC7H13-X2+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.330E+04 2.200 4.506E+03 /
+XC7H14+CH3O2=XC7H13-X1+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.101E+07 1.490 1.222E+04 /
+XC7H14+CH3O2=XC7H13-Z+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.376E+06 1.790 1.136E+04 /
+XC7H14+CH3O2=XC7H13-Y2+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+02 2.620 -1.960E+02 /
+XC7H14+CH3O2=XC7H13-X2+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.318E+05 2.030 1.486E+03 /
+XC7H14+CH3O=XC7H13-X1+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.767E+03 2.360 2.790E+04 /
+XC7H14+CH3O=XC7H13-Z+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.524E+02 2.660 2.704E+04 /
+XC7H14+CH3O=XC7H13-Y2+CH3OH +2.290E+10 +0.000 +2873.0 ! *:_:* LLNL *:_:*
+ REV/ 8.692E+06 0.600 9.743E+03 /
+XC7H14+CH3O=XC7H13-X2+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 1.083E+10 0.000 9.048E+03 /
+YC7H14+H=XC7H13-Z+H2 +3.460E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 9.749E+06 2.060 2.005E+04 /
+YC7H14+H=YC7H13-Y2+H2 +2.650E+06 +2.200 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.836E+07 2.140 2.229E+04 /
+YC7H14+H=YC7H13-X2+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.176E+04 2.540 1.108E+04 /
+YC7H14+OH=XC7H13-Z+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 7.613E+08 1.560 3.242E+04 /
+YC7H14+OH=YC7H13-Y2+H2O +6.140E+02 +3.200 -3500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.842E+04 3.140 3.394E+04 /
+YC7H14+OH=YC7H13-X2+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.119E+09 0.970 2.106E+04 /
+XC7H13-X1=C3H4-A+IC4H9 +8.708E+21 -2.430 +59530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+XC7H13-Z=ACC6H10+CH3 +2.837E+16 -0.830 +41230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+XC7H13-Z+HO2=XC7H13O-Z+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.406E+14 -0.730 1.538E+04 /
+XC7H13-Z+CH3O2=XC7H13O-Z+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.280E+16 -1.310 2.014E+04 /
+XC7H13-Z+C2H5O2=XC7H13O-Z+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.456E+13 -0.380 1.798E+04 /
+XC7H13-Y2=IC4H8+C3H5-T +6.321E+18 -1.800 +43600.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 8.800E+03 /
+XC7H13-X2=C3H6+IC4H7 +2.096E+16 -1.090 +17820.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 9.200E+03 /
+YC7H13-Y2+HO2=YC7H13O-Y2+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.111E+15 -0.970 1.700E+04 /
+YC7H13-Y2+CH3O2=YC7H13O-Y2+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+17 -1.550 2.176E+04 /
+YC7H13-Y2+C2H5O2=YC7H13O-Y2+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.350E+14 -0.620 1.961E+04 /
+YC7H13-X2=C3H6+IC4H7-I1 +1.226E+18 -1.370 +43840.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 9.200E+03 /
+XC7H13O-Z=IC3H7CHO+C3H5-T +7.521E+21 -2.400 +30190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H13O-Y2=CH3COCH3+IC4H7-I1 +1.310E+18 -1.300 +29420.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+XC7H15O2=XC7H15+O2 +1.247E+20 -1.608 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+YC7H15O2=YC7H15+O2 +3.408E+23 -2.448 +37210.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+ZC7H15O2=ZC7H15+O2 +2.969E+22 -2.221 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+12 0.000 0.000E+00 /
+XC7H15+XC7H15O2=2XC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.743E+13 -0.134 2.975E+04 /
+XC7H15+YC7H15O2=XC7H15O+YC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.889E+13 -0.145 3.056E+04 /
+XC7H15+ZC7H15O2=XC7H15O+ZC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.242E+13 -0.224 2.954E+04 /
+YC7H15+XC7H15O2=YC7H15O+XC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.780E+16 -0.985 3.210E+04 /
+YC7H15+YC7H15O2=2YC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.358E+16 -0.996 3.291E+04 /
+YC7H15+ZC7H15O2=YC7H15O+ZC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.487E+17 -1.075 3.189E+04 /
+ZC7H15+XC7H15O2=ZC7H15O+XC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.507E+16 -0.837 3.181E+04 /
+ZC7H15+YC7H15O2=ZC7H15O+YC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.727E+16 -0.848 3.262E+04 /
+ZC7H15+ZC7H15O2=2ZC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.790E+16 -0.927 3.160E+04 /
+XC7H15O2+HO2=XC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.735E+13 -0.792 3.361E+04 /
+YC7H15O2+HO2=YC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.785E+13 -0.793 3.361E+04 /
+ZC7H15O2+HO2=ZC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.888E+13 -0.832 3.363E+04 /
+XC7H15O2+H2O2=XC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+YC7H15O2+H2O2=YC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+ZC7H15O2+H2O2=ZC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+XC7H15O2+CH3O2=XC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H15O2+CH3O2=YC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H15O2+CH3O2=ZC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2XC7H15O2=O2+2XC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H15O2+YC7H15O2=XC7H15O+YC7H15O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H15O2+ZC7H15O2=XC7H15O+ZC7H15O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2YC7H15O2=O2+2YC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H15O2+ZC7H15O2=YC7H15O+ZC7H15O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2ZC7H15O2=O2+2ZC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H15O2H=XC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.065E+07 1.925 -6.512E+03 /
+YC7H15O2H=YC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.403E+07 1.915 -5.702E+03 /
+ZC7H15O2H=ZC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.015E+07 1.875 -6.742E+03 /
+XC7H15O=DC6H13+CH2O +3.974E+22 -2.629 +24500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H15O=IC4H9+CH3COCH3 +8.190E+23 -2.926 +18020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+ZC7H15O=IC3H7+IC3H7CHO +2.632E+24 -3.011 +21010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+XC7H15O2=XC7H14OOH-X1 +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.134E+10 -0.509 8.940E+03 /
+XC7H15O2=XC7H14OOH-Y1 +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.063E+09 0.071 1.293E+04 /
+XC7H15O2=XC7H14OOH-Z +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.938E+09 -0.123 7.860E+03 /
+XC7H15O2=XC7H14OOH-Y2 +1.563E+09 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.224E+07 0.071 5.880E+03 /
+XC7H15O2=XC7H14OOH-X2 +1.172E+09 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 2.855E+09 -0.509 1.009E+04 /
+YC7H15O2=YC7H14OOH-X1 +6.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.457E+12 -0.508 1.394E+04 /
+YC7H15O2=YC7H14OOH-Z +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.114E+10 -0.108 1.384E+04 /
+YC7H15O2=YC7H14OOH-Y2 +1.250E+10 +0.000 +19100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.789E+08 0.061 7.940E+03 /
+YC7H15O2=YC7H14OOH-X2 +9.376E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.277E+10 -0.508 6.890E+03 /
+ZC7H15O2=ZC7H14OOH-X +1.500E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.104E+11 -0.557 8.970E+03 /
+ZC7H15O2=ZC7H14OOH-Y +2.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 8.110E+09 -0.031 1.299E+04 /
+XC7H15O2=XC7H14+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.593E+27 -5.393 2.074E+04 /
+YC7H15O2=XC7H14+HO2 +1.015E+43 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.387E+32 -7.264 1.666E+04 /
+YC7H15O2=YC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.817E+27 -5.783 1.826E+04 /
+ZC7H15O2=YC7H14+HO2 +9.060E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.562E+25 -4.939 1.855E+04 /
+XC7H14OOH-X1=X-X1C7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Y1=X-Y1C7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Z=X-ZC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Y2=X-Y2C7H14O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-X2=X-X2C7H14O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-X1=X-Y1C7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-Z=Y-ZC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-Y2=Y-YC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-X2=X-Y2C7H14O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H14OOH-X=X-ZC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H14OOH-Y=Y-ZC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Y1=XC7H14+HO2 +3.375E+18 -1.756 +19480.0 ! *:_:* LLNL *:_:*
+ REV/ 5.754E+11 0.000 1.190E+04 /
+YC7H14OOH-X1=XC7H14+HO2 +4.188E+22 -2.654 +21270.0 ! *:_:* LLNL *:_:*
+ REV/ 5.754E+11 0.000 1.190E+04 /
+YC7H14OOH-Z=YC7H14+HO2 +9.834E+20 -2.435 +18730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.442E+11 0.000 9.512E+03 /
+ZC7H14OOH-Y=YC7H14+HO2 +1.161E+20 -2.312 +19340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.442E+11 0.000 9.512E+03 /
+XC7H14OOH-X1=OH+CH2O+DC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Z=OH+CH2O+CC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-Y2=OH+CH3COCH3+IC4H8 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H14OOH-X=OH+IC3H7CHO+C3H6 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-X1O2=XC7H14OOH-X1+O2 +1.663E+20 -1.645 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+XC7H14OOH-Y1O2=XC7H14OOH-Y1+O2 +1.325E+24 -2.539 +37500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+XC7H14OOH-ZO2=XC7H14OOH-Z+O2 +2.580E+22 -2.296 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+12 0.000 0.000E+00 /
+XC7H14OOH-Y2O2=XC7H14OOH-Y2+O2 +1.325E+24 -2.539 +37500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+XC7H14OOH-X2O2=XC7H14OOH-X2+O2 +1.663E+20 -1.645 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+YC7H14OOH-X1O2=YC7H14OOH-X1+O2 +1.608E+20 -1.641 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+YC7H14OOH-ZO2=YC7H14OOH-Z+O2 +2.560E+22 -2.294 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+12 0.000 0.000E+00 /
+YC7H14OOH-Y2O2=YC7H14OOH-Y2+O2 +1.203E+24 -2.526 +37480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+YC7H14OOH-X2O2=YC7H14OOH-X2+O2 +1.608E+20 -1.641 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+ZC7H14OOH-XO2=ZC7H14OOH-X+O2 +5.517E+19 -1.589 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+ZC7H14OOH-YO2=ZC7H14OOH-Y+O2 +2.890E+23 -2.417 +37410.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+XC7H14OOH-X1O2=C7KET24XX1+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.833E+03 1.460 4.442E+04 /
+XC7H14OOH-Y1O2=C7KET24XY1+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.315E+04 1.258 4.872E+04 /
+XC7H14OOH-ZO2=C7KET24XZ+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.977E+03 1.398 4.447E+04 /
+XC7H14OOH-Y2O2=C7KET24XY2+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.666E+02 1.445 4.238E+04 /
+XC7H14OOH-X2O2=C7KET24XX2+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.006E+01 1.460 4.557E+04 /
+ZC7H14OOH-XO2=C7KET24ZX+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.171E+02 1.730 4.361E+04 /
+ZC7H14OOH-YO2=C7KET24ZY+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.319E+04 1.481 4.900E+04 /
+C7KET24XX1=CH2O+DC5H10CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XY1=IC4H9COCH3+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XZ=IC3H7CHO+CH3CHCHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XY2=CH3COCH3+IC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XX2=CH2O+C5H10CHO5-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24ZX=CH2O+IC3H7COC2H4S+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24ZY=CH3COCH3+IC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+OH=DC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+OH=IC3H5CHO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+OH=CC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+OH=IC4H8+CH3CHCHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+OH=C3H6+IC3H6CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+OH=CH3COCH3+IC4H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+OH=IC3H5CHO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+OH=CH2O+DC6H11-C+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+OH=IC4H8+CH3COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+OH=C3H6+IC3H7CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+OH=CH3COCH3+IC4H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+OH=CH2O+AC6H11-D+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+OH=CH3COCH3+IC4H7-I1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+OH=IC3H6CO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+HO2=DC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+HO2=IC3H5CHO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+HO2=CC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+HO2=IC4H8+CH3CHCHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+HO2=C3H6+IC3H6CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+HO2=CH3COCH3+IC4H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+HO2=IC3H5CHO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+HO2=CH2O+DC6H11-C+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+HO2=IC4H8+CH3COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+HO2=C3H6+IC3H7CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+HO2=CH3COCH3+IC4H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+HO2=CH2O+AC6H11-D+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+HO2=CH3COCH3+IC4H7-I1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+HO2=IC3H6CO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OH=XC7H14+OH +6.818E+13 -0.300 +28150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+XO2C7H14OH=XC7H14OH+O2 +2.264E+22 -2.160 +37130.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+XO2C7H14OH=IC4H9COCH3+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OH=YC7H14+OH +1.906E+16 -0.860 +30050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+YO2C7H14OH=YC7H14OH+O2 +4.837E+21 -2.130 +37100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+YO2C7H14OH=IC3H7CHO+CH3COCH3+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ACC6H10+OH=ACC6H9-A+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.491E+08 1.390 3.246E+04 /
+ACC6H10+OH=ACC6H9-D+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.491E+08 1.390 3.246E+04 /
+ACC6H10+HO2=ACC6H9-A+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.007E+07 1.660 1.521E+04 /
+ACC6H10+HO2=ACC6H9-D+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.007E+07 1.660 1.521E+04 /
+ACC6H10+CH3O2=ACC6H9-A+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.139E+07 1.490 1.449E+04 /
+ACC6H10+CH3O2=ACC6H9-D+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.139E+07 1.490 1.449E+04 /
+ACC6H9-A=C3H4-A+C3H5-S +1.194E+24 -2.850 +74310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+ACC6H9-D+HO2=IC3H5CHO+C2H3+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H12+H=NEOC5H11+H2 +9.788E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 4.420E-01 3.982 9.641E+03 /
+NEOC5H12+O=NEOC5H11+OH +1.140E+04 +3.050 +3123.0 ! *:_:* LLNL *:_:*
+ REV/ 2.672E-03 4.245 3.205E+03 /
+NEOC5H12+OH=NEOC5H11+H2O +3.162E+07 +1.800 +298.1 ! *:_:* LLNL *:_:*
+ REV/ 1.514E+02 2.908 1.668E+04 /
+NEOC5H12+CH3=NEOC5H11+CH4 +5.680E-14 +8.060 +4150.0 ! *:_:* LLNL *:_:*
+ REV/ 2.340E-17 8.828 7.184E+03 /
+NEOC5H12+HO2=NEOC5H11+H2O2 +8.160E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.132E-02 4.109 2.654E+03 /
+NEOC5H12+CH3O=NEOC5H11+CH3OH +6.400E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC5H12+O2=NEOC5H11+HO2 +4.950E+13 +0.000 +49000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.172E+08 0.866 -4.195E+03 /
+NEOC5H12+C2H5=NEOC5H11+C2H6 +2.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC5H12+C2H3=NEOC5H11+C2H4 +2.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC5H12+O2CHO=NEOC5H11+HO2CHO +7.200E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.081E+03 2.518 3.125E+03 /
+NEOC5H12+CH3O2=NEOC5H11+CH3O2H +8.160E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 4.148E-01 3.664 1.059E+03 /
+IC4H6OH+NEOC5H12=IC4H7OH+NEOC5H11 +9.400E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 5.077E-01 3.740 7.668E+03 /
+IC4H7O+NEOC5H12=IC4H7OH+NEOC5H11 +5.400E+11 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 9.000E+03 /
+TC3H6CHO+NEOC5H12=IC3H7CHO+NEOC5H11 +9.400E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 7.159E+01 3.220 9.819E+03 /
+NEOC5H12+CH2CCH2OH=NEOC5H11+C3H5OH +1.590E+12 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 4.968E+11 -0.220 2.962E+04 /
+NEOC5H11=IC4H8+CH3 +8.466E+17 -1.111 +32930.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+03 2.480 8.520E+03 /
+NEOC5H11+HO2=NEOC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.447E+11 0.802 2.490E+04 /
+NEOC5H11+CH3O2=NEOC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.052E+09 1.101 2.914E+04 /
+NEOC5H11O2=NEOC5H11+O2 +9.747E+20 -2.437 +34530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+17 -2.100 0.000E+00 /
+NEOC5H11O2+NEOC5H12=NEOC5H11O2H+NEOC5H11 +2.419E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC5H11+NEOC5H11O2=2NEOC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.468E+09 1.149 2.861E+04 /
+NEOC5H11O2+HO2=NEOC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.841E+13 -0.795 3.362E+04 /
+NEOC5H11O2+H2O2=NEOC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+NEOC5H11O2+CH3O2=NEOC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2NEOC5H11O2=O2+2NEOC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H11O2H=NEOC5H11O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.885E+07 1.935 -3.022E+03 /
+NEOC5H11O=CH2O+TC4H9 +2.649E+25 -3.248 +23930.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 1.190E+04 /
+NEOC5H11O2=NEOC5H10OOH +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.144E+10 -0.509 8.950E+03 /
+NEOC5H10OOH=NEO-C5H10O+OH +2.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H10OOH=OH+CH2O+IC4H8 +3.011E+17 -1.170 +29950.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H10OOH=IC4H7OOH+CH3 +9.027E+21 -2.341 +32830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.010E+04 /
+NEOC5H10OOH-O2=NEOC5H10OOH+O2 +1.366E+25 -3.736 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+17 -2.100 0.000E+00 /
+NEOC5H10OOH-O2=NEOC5H9Q2 +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.757E+11 -0.504 8.940E+03 /
+NEOC5H10OOH-O2=NEOC5H9Q2-N +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.436E+10 -0.513 1.096E+04 /
+NEOC5H9Q2=IC4H7OOH+CH2O2H +7.093E+19 -1.600 +35540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H9Q2=IC4H6Q2-II+CH3 +2.193E+16 -0.710 +32650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H9Q2-N=NEOC5KET+OH +9.000E+14 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.668E+09 1.580 3.188E+04 /
+NEOC5KET=NEOC5KETOX+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.009E+09 1.510 -4.125E+03 /
+NEOC5KETOX=TC3H6CHO+CH2O +2.475E+21 -2.540 +15830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+NEOC5KETOX=NEOC5KEJOL +2.000E+11 +0.000 +7600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.541E+09 0.430 2.227E+04 /
+NEOC5KEJOL=IC4H8OH+CO +2.273E+21 -2.340 +11020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 4.800E+03 /
+IC4H6Q2-II=C3H4-A+CH2O+HO2+OH +1.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+OH=TC4H8CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+OH=IC4H7+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+HO2=TC4H8CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+HO2=IC4H7+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+H=TC4H8CHO+H2 +3.544E+07 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+H=IC4H7+CH2O+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O=IC4H8+CH2O +3.800E+15 +0.000 +60700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.152E+04 1.990 5.973E+04 /
+NEOC6H14=BC5H11+CH3 +5.738E+26 -2.771 +88400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC6H14=TC4H9+C2H5 +1.352E+28 -3.224 +87450.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC6H14=NEOC5H11+CH3 +1.056E+18 -0.468 +88090.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC6H14=FC6H13+H +2.047E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC6H14=GC6H13+H +1.128E+18 -0.714 +98730.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC6H14=HC6H13+H +6.835E+16 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC6H14+H=FC6H13+H2 +9.788E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 6.892E+01 3.404 1.048E+04 /
+NEOC6H14+H=GC6H13+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.661E+01 3.390 9.304E+03 /
+NEOC6H14+H=HC6H13+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.982E+01 3.386 8.612E+03 /
+NEOC6H14+O=FC6H13+OH +4.046E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 1.496E+03 2.650 6.056E+03 /
+NEOC6H14+O=GC6H13+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 3.987E+00 3.409 6.267E+03 /
+NEOC6H14+O=HC6H13+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.158E+02 3.040 5.686E+03 /
+NEOC6H14+OH=FC6H13+H2O +2.372E+07 +1.800 +298.1 ! *:_:* LLNL *:_:*
+ REV/ 1.777E+04 2.330 1.752E+04 /
+NEOC6H14+OH=GC6H13+H2O +4.700E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.388E+03 2.494 1.969E+04 /
+NEOC6H14+OH=HC6H13+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.183E+07 1.500 1.881E+04 /
+NEOC6H14+CH3=FC6H13+CH4 +1.356E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.715E-02 3.840 1.103E+04 /
+NEOC6H14+CH3=GC6H13+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 9.794E+02 2.677 1.395E+04 /
+NEOC6H14+CH3=HC6H13+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.701E-02 3.840 1.103E+04 /
+NEOC6H14+HO2=FC6H13+H2O2 +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 3.302E+03 2.441 3.012E+03 /
+NEOC6H14+HO2=GC6H13+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.348E+02 2.795 3.695E+03 /
+NEOC6H14+HO2=HC6H13+H2O2 +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.944E+03 2.441 3.022E+03 /
+NEOC6H14+CH3O=FC6H13+CH3OH +4.800E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC6H14+CH3O=GC6H13+CH3OH +1.090E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+NEOC6H14+CH3O=HC6H13+CH3OH +1.600E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC6H14+O2=FC6H13+HO2 +6.300E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.327E+10 0.288 4.480E+02 /
+NEOC6H14+O2=GC6H13+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 9.382E+08 0.642 2.990E+02 /
+NEOC6H14+O2=HC6H13+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.323E+10 0.288 4.480E+02 /
+NEOC6H14+C2H5=FC6H13+C2H6 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC6H14+C2H5=GC6H13+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NEOC6H14+C2H5=HC6H13+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC6H14+C2H3=FC6H13+C2H4 +1.500E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC6H14+C2H3=GC6H13+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NEOC6H14+C2H3=HC6H13+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC6H14+CH3O2=FC6H13+CH3O2H +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 6.423E+04 1.996 1.417E+03 /
+NEOC6H14+CH3O2=GC6H13+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 8.459E+03 2.350 2.100E+03 /
+NEOC6H14+CH3O2=HC6H13+CH3O2H +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.619E+04 1.996 1.427E+03 /
+NEOC6H14+FC6H13=GC6H13+NEOC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC6H14+FC6H13=HC6H13+NEOC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC6H14+GC6H13=HC6H13+NEOC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+FC6H13O2+NEOC6H14=FC6H13O2H+FC6H13 +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+GC6H13O2+NEOC6H14=GC6H13O2H+FC6H13 +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+HC6H13O2+NEOC6H14=HC6H13O2H+FC6H13 +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+FC6H13O2+NEOC6H14=FC6H13O2H+GC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+GC6H13O2+NEOC6H14=GC6H13O2H+GC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+HC6H13O2+NEOC6H14=HC6H13O2H+GC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+FC6H13O2+NEOC6H14=FC6H13O2H+HC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+GC6H13O2+NEOC6H14=GC6H13O2H+HC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+HC6H13O2+NEOC6H14=HC6H13O2H+HC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC6H14+O2CHO=FC6H13+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.657E+02 2.300 3.057E+03 /
+NEOC6H14+O2CHO=GC6H13+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.280E+01 2.650 2.809E+03 /
+NEOC6H14+O2CHO=HC6H13+HO2CHO +8.400E+12 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.647E+02 2.300 3.057E+03 /
+FC6H13=IC4H8+C2H5 +6.342E+22 -2.671 +32750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+GC6H13=BC5H10+CH3 +4.529E+20 -2.080 +33830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+GC6H13=NEOC6H12+H +6.322E+12 +0.088 +37830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 1.200E+03 /
+HC6H13=C2H4+TC4H9 +5.461E+23 -2.984 +30610.0 ! *:_:* LLNL *:_:*
+ REV/ 1.700E+11 0.000 8.300E+03 /
+HC6H13=NEOC6H12+H +1.044E+14 -0.266 +37030.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+GC6H13+O2=NEOC6H12+HO2 +4.500E-29 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+HC6H13+O2=NEOC6H12+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+FC6H13=HC6H13 +3.000E+11 +0.000 +21100.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+11 0.000 2.110E+04 /
+NEOC6H12=CH3+CC5H9-B +1.532E+23 -2.199 +74190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+NEOC6H12+OH=NEOC6H11+H2O +3.000E+13 +0.000 +1230.0 ! *:_:* LLNL *:_:*
+ REV/ 9.796E+10 0.584 1.048E+04 /
+NEOC6H12+H=NEOC6H11+H2 +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.135E+10 0.690 -1.740E+03 /
+NEOC6H12+CH3=NEOC6H11+CH4 +1.000E+12 +0.000 +7300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.801E+11 0.244 3.200E+03 /
+NEOC6H12+O=NEOC6H11+OH +4.345E+15 -0.670 +36950.0 ! *:_:* LLNL *:_:*
+ REV/ 7.000E+11 0.000 2.990E+04 /
+NEOC6H12+OH=NEOC5H11+CH2O +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6H12+O=NEOC5H11+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6H11=IC4H8+C2H3 +4.792E+17 -1.230 +29640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 1.060E+04 /
+FC6H13O2=FC6H13+O2 +1.232E+20 -1.688 +35760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+GC6H13O2=GC6H13+O2 +1.850E+23 -2.356 +38080.0 ! *:_:* LLNL *:_:*
+ REV/ 5.240E+12 0.000 0.000E+00 /
+HC6H13O2=HC6H13+O2 +4.491E+20 -1.688 +35760.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+FC6H13+FC6H13O2=2FC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.494E+13 -0.193 2.982E+04 /
+FC6H13+GC6H13O2=FC6H13O+GC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.588E+13 -0.128 2.945E+04 /
+FC6H13+HC6H13O2=FC6H13O+HC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+13 -0.193 2.982E+04 /
+GC6H13+FC6H13O2=GC6H13O+FC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.193E+15 -0.795 3.177E+04 /
+GC6H13+GC6H13O2=2GC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.801E+15 -0.731 3.140E+04 /
+GC6H13+HC6H13O2=GC6H13O+HC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.070E+15 -0.795 3.177E+04 /
+HC6H13+FC6H13O2=HC6H13O+FC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+13 -0.193 2.982E+04 /
+HC6H13+GC6H13O2=HC6H13O+GC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.642E+12 -0.128 2.945E+04 /
+HC6H13+HC6H13O2=2HC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.470E+12 -0.193 2.982E+04 /
+FC6H13+HO2=FC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.842E+15 -0.544 2.612E+04 /
+GC6H13+HO2=GC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.076E+17 -1.147 2.807E+04 /
+HC6H13+HO2=HC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.489E+14 -0.544 2.612E+04 /
+FC6H13+CH3O2=FC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.778E+14 -0.245 3.036E+04 /
+GC6H13+CH3O2=GC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.924E+16 -0.848 3.231E+04 /
+HC6H13+CH3O2=HC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.936E+13 -0.245 3.036E+04 /
+FC6H13O2=FC6H12OOH-F +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.771E+11 -0.564 9.010E+03 /
+FC6H13O2=FC6H12OOH-G +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.940E+09 -0.122 7.870E+03 /
+FC6H13O2=FC6H12OOH-H +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.732E+10 -0.564 6.960E+03 /
+GC6H13O2=GC6H12OOH-F +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.824E+11 -0.601 9.040E+03 /
+GC6H13O2=GC6H12OOH-H +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.457E+12 -0.601 1.404E+04 /
+HC6H13O2=HC6H12OOH-F +1.406E+10 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.143E+10 -0.509 6.900E+03 /
+HC6H13O2=HC6H12OOH-G +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.938E+10 -0.097 1.383E+04 /
+GC6H13O2=NEOC6H12+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.763E+32 -7.214 1.565E+04 /
+HC6H13O2=NEOC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.019E+30 -6.228 1.947E+04 /
+FC6H13O2+HO2=FC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.792E+13 -0.794 3.362E+04 /
+GC6H13O2+HO2=GC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+13 -0.815 3.364E+04 /
+HC6H13O2+HO2=HC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.792E+13 -0.794 3.362E+04 /
+FC6H13O2+H2O2=FC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+GC6H13O2+H2O2=GC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+HC6H13O2+H2O2=HC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+FC6H13O2+CH3O2=FC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H13O2+CH3O2=GC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HC6H13O2+CH3O2=HC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2FC6H13O2=O2+2FC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H13O2+GC6H13O2=O2+FC6H13O+GC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H13O2+HC6H13O2=O2+FC6H13O+HC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2GC6H13O2=O2+2GC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H13O2+HC6H13O2=O2+GC6H13O+HC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2HC6H13O2=O2+2HC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H13O2H=FC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.886E+07 1.938 -6.532E+03 /
+GC6H13O2H=GC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.841E+06 2.024 -6.922E+03 /
+HC6H13O2H=HC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.296E+06 1.938 -6.532E+03 /
+FC6H13O=CH2O+BC5H11 +1.075E+25 -3.221 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+GC6H13O=CH3CHO+TC4H9 +3.662E+26 -3.620 +18480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+HC6H13O=CH2O+NEOC5H11 +1.978E+16 -0.918 +23540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+GC6H12OOH-H=NEOC6H12+HO2 +2.360E+22 -2.796 +23940.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+HC6H12OOH-G=NEOC6H12+HO2 +2.188E+19 -1.979 +21460.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+FC6H12OOH-F=F-FC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-G=F-GC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-H=F-HC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H12OOH-H=G-HC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H12OOH-F=F-GC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HC6H12OOH-G=G-HC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HC6H12OOH-F=F-HC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-F=OH+CH2O+AC5H10 +4.948E+17 -1.150 +28430.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-G=OH+CH2O+BC5H10 +6.788E+16 -0.990 +28070.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H12OOH-F=OH+CH3CHO+IC4H8 +4.754E+21 -2.370 +27810.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-H=IC4H8+C2H4+HO2 +1.405E+22 -3.120 +25850.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-FO2=FC6H12OOH-F+O2 +5.741E+19 -1.584 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+FC6H12OOH-GO2=FC6H12OOH-G+O2 +5.752E+22 -2.289 +38010.0 ! *:_:* LLNL *:_:*
+ REV/ 5.240E+12 0.000 0.000E+00 /
+FC6H12OOH-HO2=FC6H12OOH-H+O2 +2.093E+20 -1.584 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+GC6H12OOH-FO2=GC6H12OOH-F+O2 +1.533E+19 -1.497 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+GC6H12OOH-HO2=GC6H12OOH-H+O2 +5.584E+19 -1.497 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+HC6H12OOH-FO2=HC6H12OOH-F+O2 +8.708E+19 -1.639 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+HC6H12OOH-GO2=HC6H12OOH-G+O2 +6.982E+22 -2.315 +38050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.240E+12 0.000 0.000E+00 /
+FC6H12OOH-FO2=NEOC6KETFF+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.042E+03 1.449 4.373E+04 /
+FC6H12OOH-GO2=NEOC6KETFG+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.269E+03 1.387 4.379E+04 /
+FC6H12OOH-HO2=NEOC6KETFH+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.595E+02 1.449 4.168E+04 /
+GC6H12OOH-FO2=NEOC6KETGF+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.345E+02 1.819 4.290E+04 /
+GC6H12OOH-HO2=NEOC6KETGH+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 4.693E+02 1.812 4.902E+04 /
+HC6H12OOH-FO2=NEOC6KETHF+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.623E+02 1.501 4.267E+04 /
+HC6H12OOH-GO2=NEOC6KETHG+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.757E+04 1.344 4.891E+04 /
+F-FC6H12O+OH=IC5H10CHO-BA+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+OH=IC5H10CHO-BC+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+OH=TC4H8CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+OH=TC4H9CHCHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-FC6H12O+OH=AC5H9-A1+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+OH=TC4H8COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+OH=IC5H10CHO-BD+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+OH=TC4H9COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-FC6H12O+HO2=IC5H10CHO-BA+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+HO2=IC5H10CHO-BC+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+HO2=TC4H8CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+HO2=TC4H9CHCHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-FC6H12O+HO2=AC5H9-A1+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+HO2=TC4H8COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+HO2=IC5H10CHO-BD+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+HO2=TC4H9COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETFF=CH2O+C4H8CHO2-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETFG=CH3CHO+TC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETFH=CH2O+TC4H8CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETGF=CH2O+TC3H6COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETGH=CH2O+TC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETHF=CH2O+TC3H6CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETHG=TC4H9CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6H12OH=NEOC6H12+OH +8.745E+14 -0.590 +28620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+NEOO2C6H12OH=NEOC6H12OH+O2 +1.622E+21 -1.900 +37740.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+NEOO2C6H12OH=TC4H9CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9CHO+HO2=TC4H9CO+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.852E+12 -0.330 1.200E+04 /
+TC4H9CHO+CH3=TC4H9CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.558E+13 0.000 2.557E+04 /
+TC4H9CHO+O=TC4H9CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* LLNL *:_:*
+ REV/ 4.726E+11 0.000 1.568E+04 /
+TC4H9CHO+O2=TC4H9CO+HO2 +4.000E+13 +0.000 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.089E+11 0.320 -3.492E+03 /
+TC4H9CHO+OH=TC4H9CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.746E+10 0.760 3.120E+04 /
+TC4H9CO=TC4H9+CO +2.517E+23 -2.881 +13490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+TC4H9CHO+OH=TC4H8CHO+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 7.775E+06 1.520 2.021E+04 /
+TC4H9CHO+H=TC4H8CHO+H2 +1.810E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 1.419E+04 2.530 1.104E+04 /
+TC4H9CHO+HO2=TC4H8CHO+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 6.067E+03 2.220 3.472E+03 /
+TC4H9CHO+CH3=TC4H8CHO+CH4 +1.360E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 2.786E-01 3.640 1.191E+04 /
+TC4H9CHO+CH3O=TC4H8CHO+CH3OH +4.820E+11 +0.000 +7313.0 ! *:_:* LLNL *:_:*
+ REV/ 1.822E+09 0.020 9.863E+03 /
+TC4H9CHO+CH3O2=TC4H8CHO+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.493E+04 2.040 2.752E+03 /
+NEOC5H11CHO+OH=NEOC5H11CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.076E+12 0.000 3.092E+04 /
+NEOC5H11CHO+OH=TC4H9CHCHO+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.249E+09 1.340 2.887E+04 /
+NEOC5H11CHO+OH=TC4H8CH2CHO+H2O +1.290E+10 +1.050 +1810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.470E+09 1.050 2.124E+04 /
+NEOC5H11CHO+HO2=NEOC5H11CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.024E+13 -0.330 1.367E+04 /
+NEOC5H11CHO+HO2=TC4H9CHCHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.270E+13 -0.600 9.362E+03 /
+NEOC5H11CHO+HO2=TC4H8CH2CHO+H2O2 +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.909E+13 -0.330 7.362E+03 /
+NEOC5H11CHO+CH3O2=NEOC5H11CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.503E+13 -0.500 8.852E+03 /
+NEOC5H11CHO+CH3O2=TC4H9CHCHO+CH3O2H +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 5.220E+13 -0.780 8.642E+03 /
+NEOC5H11CHO+CH3O2=TC4H8CH2CHO+CH3O2H +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.846E+13 -0.500 6.642E+03 /
+NEOC5H11CO=NEOC5H11+CO +2.433E+17 -1.270 +13440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+NEOC5H11CO=TC4H9+CH2CO +3.657E+16 -1.030 +34870.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+TC4H9CHCHO=IC3H6CHCHO+CH3 +2.285E+17 -1.080 +31770.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H8CH2CHO=IC4H8+CH2CHO +6.610E+19 -2.200 +28090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+TC4H8CH2CHO=IC4H7CHO+CH3 +1.673E+17 -1.170 +34510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC4H7CHO+OH=IC4H7CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.186E+12 -0.010 3.093E+04 /
+IC4H7CHO+OH=AC3H4CH2CHO+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.621E+08 1.440 3.240E+04 /
+IC4H7CHO+OH=IC3H5CHCHO+H2O +4.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.591E+08 1.790 3.491E+04 /
+IC4H7CHO+HO2=IC4H7CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.155E+13 -0.330 1.200E+04 /
+IC4H7CHO+HO2=AC3H4CH2CHO+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.642E+06 1.720 1.514E+04 /
+IC4H7CHO+HO2=IC3H5CHCHO+H2O2 +9.640E+03 +2.600 +12510.0 ! *:_:* LLNL *:_:*
+ REV/ 2.148E+06 2.070 1.626E+04 /
+IC4H7CHO+CH3O2=IC4H7CO+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.174E+13 -0.507 1.045E+04 /
+IC4H7CHO+CH3O2=AC3H4CH2CHO+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.634E+15 -1.060 1.756E+04 /
+IC4H7CHO+CH3O2=IC3H5CHCHO+CH3O2H +1.990E+12 +0.000 +15950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.822E+15 -0.710 1.898E+04 /
+IC4H7CO=IC4H7+CO +1.109E+17 -1.300 +12230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC4H7CO=C3H5-T+CH2CO +1.814E+16 -0.960 +47260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.600E+03 /
+AC3H4CH2CHO=C3H4-A+CH2CHO +4.132E+20 -2.360 +52470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H5CHCHO+HO2=IC3H5CHO+HCO+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5H11CHO-B+OH=IC5H11CO-B+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.185E+12 0.000 3.093E+04 /
+IC5H11CHO-B+OH=IC5H10CHO-BA+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 2.691E+07 1.540 2.819E+04 /
+IC5H11CHO-B+OH=IC5H10CHO-BC+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 3.872E+05 2.010 2.184E+04 /
+IC5H11CHO-B+OH=IC5H10CHO-BD+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 9.268E+08 0.980 2.100E+04 /
+IC5H11CHO-B+HO2=IC5H11CO-B+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.849E+12 -0.330 1.200E+04 /
+IC5H11CHO-B+HO2=IC5H10CHO-BA+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 5.763E+04 2.240 4.432E+03 /
+IC5H11CHO-B+HO2=IC5H10CHO-BC+H2O2 +2.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.218E+03 2.670 4.322E+03 /
+IC5H11CHO-B+HO2=IC5H10CHO-BD+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 2.881E+04 2.240 4.432E+03 /
+IC5H11CHO-B+CH3O2=IC5H11CO-B+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.582E+13 -0.510 1.128E+04 /
+IC5H11CHO-B+CH3O2=IC5H10CHO-BA+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.042E+05 2.060 3.726E+03 /
+IC5H11CHO-B+CH3O2=IC5H10CHO-BC+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.580E+11 -0.100 6.744E+03 /
+IC5H11CHO-B+CH3O2=IC5H10CHO-BD+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.587E+13 -0.490 6.607E+03 /
+IC5H11CO-B=BC5H11+CO +1.038E+18 -1.360 +9078.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC5H11CO-B=IC3H6CO+C2H5 +3.780E+21 -2.238 +39070.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BA=AC5H10+HCO +5.476E+18 -1.640 +25600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BA=IC3H5CHO+C2H5 +1.552E+19 -1.680 +26620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BA=C4H7CHO1-2+CH3 +1.953E+15 -0.740 +25810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BC=BC5H10+HCO +7.371E+17 -1.500 +25700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.120E+04 /
+IC5H10CHO-BC=C4H7CHO2-2+CH3 +1.133E+16 +0.360 +21300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BD=TC3H6CHO+C2H4 +5.814E+18 -1.850 +24890.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 1.120E+04 /
+C4H7CHO1-2+OH=C4H7CO1-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.828E+12 0.010 3.681E+04 /
+C4H7CHO1-2+OH=C4H6CHO1-23+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 1.511E+09 1.420 3.498E+04 /
+C4H7CHO1-2+OH=C4H6CHO1-24+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 4.305E+06 1.720 2.019E+04 /
+C4H7CHO1-2+HO2=C4H7CO1-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.027E+13 -0.310 1.788E+04 /
+C4H7CHO1-2+HO2=C4H6CHO1-23+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.389E+15 -0.550 2.146E+04 /
+C4H7CHO1-2+HO2=C4H6CHO1-24+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.946E+04 2.210 4.462E+03 /
+C4H7CHO1-2+CH3O2=C4H7CO1-2+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.181E+14 -0.490 1.884E+04 /
+C4H7CHO1-2+CH3O2=C4H6CHO1-23+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.029E+15 -0.720 2.009E+04 /
+C4H7CHO1-2+CH3O2=C4H6CHO1-24+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.531E+13 -0.510 6.627E+03 /
+C4H7CO1-2=C4H71-2+CO +2.125E+22 -2.495 +37340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H6CHO1-23=CH2CCHCH3+HCO +8.677E+15 -0.450 +55040.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C4H6CHO1-24=C2H4+CH2CCHO +6.403E+18 -1.700 +41090.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 8.600E+03 /
+C4H7CHO2-2+OH=C4H7CO2-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.586E+12 0.020 3.680E+04 /
+C4H7CHO2-2+OH=C4H6CHO2-21+H2O +8.420E+11 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.779E+14 -0.640 3.198E+04 /
+C4H7CHO2-2+OH=C4H6CHO2-24+H2O +8.420E+11 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.779E+14 -0.640 3.198E+04 /
+C4H7CHO2-2+OH=CH3CHO+CH3CHCHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.906E+07 2.140 1.348E+04 /
+C4H7CHO2-2+HO2=C4H7CO2-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 9.840E+12 -0.310 1.788E+04 /
+C4H7CHO2-2+HO2=C4H6CHO2-21+H2O2 +1.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+07 1.580 1.680E+04 /
+C4H7CHO2-2+HO2=C4H6CHO2-24+H2O2 +1.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+07 1.580 1.680E+04 /
+C4H7CHO2-2+HO2=CH3CHO+C2H3CHO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C4H7CHO2-2+CH3O2=C4H7CO2-2+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.132E+14 -0.480 1.884E+04 /
+C4H7CHO2-2+CH3O2=C4H6CHO2-21+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.226E+08 1.400 1.707E+04 /
+C4H7CHO2-2+CH3O2=C4H6CHO2-24+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.226E+08 1.400 1.707E+04 /
+C4H7CHO2-2+CH3O2=CH3CHO+CH3CHCO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C4H7CO2-2=C4H72-2+CO +4.683E+20 -3.441 +41360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H6CHO2-21=CH2CCHCH3+HCO +4.000E+14 +0.000 +13300.0 ! *:_:* LLNL *:_:*
+ REV/ 3.480E+10 0.590 1.382E+04 /
+C4H6CHO2-24=CH2CCHCH3+HCO +2.852E+14 -1.580 +60540.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.160E+04 /
+TC4H9COCH3+OH=TC4H9COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.148E+13 -0.690 2.766E+04 /
+TC4H9COCH3+OH=TC4H8COCH3+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.685E+07 1.520 2.021E+04 /
+TC4H9COCH3+HO2=TC4H9COCH2+H2O2 +2.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.703E+07 1.530 1.050E+04 /
+TC4H9COCH3+HO2=TC4H8COCH3+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.655E+04 2.220 3.472E+03 /
+TC4H9COCH3+CH3O2=TC4H9COCH2+CH3O2H +3.010E+13 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 8.851E+16 -1.190 1.186E+04 /
+TC4H9COCH3+CH3O2=TC4H8COCH3+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.502E+05 2.040 2.752E+03 /
+TC4H9COCH2=TC4H9+CH2CO +1.519E+19 -1.740 +36770.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+TC4H8COCH3=IC4H8+CH3CO +1.384E+22 -2.630 +27450.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+CH2CCHO+OH=CH3CO+HCO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.255E+10 0.500 3.931E+04 /
+CH2CCHO+HO2=CH2CO+HCO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2CCHO+CH3O2=CH2CO+HCO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC3H6CHCHO+OH=IC3H6CHCO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.784E+12 0.010 3.681E+04 /
+IC3H6CHCHO+OH=AC3H5CHCHO+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 1.907E+10 0.970 4.149E+04 /
+IC3H6CHCHO+OH=TC3H6CHO+CH2O +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.394E+11 0.110 1.608E+04 /
+NEOC7H16=NC7H15+H +2.016E+17 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=OC7H15+H +1.041E+18 -0.704 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=PC7H15+H +1.041E+18 -0.704 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=QC7H15+H +6.730E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=BC6H13+CH3 +4.752E+26 -2.822 +87840.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16=HC6H13+CH3 +1.749E+22 -1.792 +89280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16=NEOC5H11+C2H5 +5.100E+19 -0.872 +87030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16=TC4H9+NC3H7 +1.069E+28 -3.166 +87260.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16+H=NC7H15+H2 +9.788E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 6.998E+01 3.402 1.049E+04 /
+NEOC7H16+H=OC7H15+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.799E+01 3.380 9.324E+03 /
+NEOC7H16+H=PC7H15+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.799E+01 3.380 9.324E+03 /
+NEOC7H16+H=QC7H15+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.013E+01 3.384 8.621E+03 /
+NEOC7H16+CH3=NC7H15+CH4 +1.356E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.848E-02 3.838 1.104E+04 /
+NEOC7H16+CH3=OC7H15+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.061E+03 2.667 1.397E+04 /
+NEOC7H16+CH3=PC7H15+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.061E+03 2.667 1.397E+04 /
+NEOC7H16+CH3=QC7H15+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.836E-02 3.838 1.104E+04 /
+NEOC7H16+C2H5=NC7H15+C2H6 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC7H16+C2H5=OC7H15+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NEOC7H16+C2H5=PC7H15+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NEOC7H16+C2H5=QC7H15+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC7H16+NC7H15=OC7H15+NEOC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC7H16+NC7H15=PC7H15+NEOC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC7H16+NC7H15=QC7H15+NEOC7H16 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC7H16+OC7H15=PC7H15+NEOC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+NEOC7H16+OC7H15=QC7H15+NEOC7H16 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+NEOC7H16+PC7H15=QC7H15+NEOC7H16 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+NEOC7H16+O=NC7H15+OH +4.046E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 1.518E+03 2.648 6.065E+03 /
+NEOC7H16+O=OC7H15+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.320E+00 3.399 6.287E+03 /
+NEOC7H16+O=PC7H15+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.320E+00 3.399 6.287E+03 /
+NEOC7H16+O=QC7H15+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.176E+02 3.038 5.695E+03 /
+NEOC7H16+OH=NC7H15+H2O +2.372E+07 +1.800 +298.1 ! *:_:* LLNL *:_:*
+ REV/ 1.804E+04 2.328 1.753E+04 /
+NEOC7H16+OH=OC7H15+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.893E+03 2.484 1.971E+04 /
+NEOC7H16+OH=PC7H15+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.893E+03 2.484 1.971E+04 /
+NEOC7H16+OH=QC7H15+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.201E+07 1.498 1.882E+04 /
+NEOC7H16+HO2=NC7H15+H2O2 +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 3.352E+03 2.439 3.021E+03 /
+NEOC7H16+HO2=OC7H15+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.711E+02 2.785 3.715E+03 /
+NEOC7H16+HO2=PC7H15+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.711E+02 2.785 3.715E+03 /
+NEOC7H16+HO2=QC7H15+H2O2 +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 5.021E+03 2.439 3.031E+03 /
+NEOC7H16+CH3O=NC7H15+CH3OH +4.800E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC7H16+CH3O=OC7H15+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+NEOC7H16+CH3O=PC7H15+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+NEOC7H16+CH3O=QC7H15+CH3OH +1.600E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC7H16+O2=NC7H15+HO2 +6.300E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.363E+10 0.286 4.570E+02 /
+NEOC7H16+O2=OC7H15+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.017E+09 0.632 3.190E+02 /
+NEOC7H16+O2=PC7H15+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.017E+09 0.632 3.190E+02 /
+NEOC7H16+O2=QC7H15+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.360E+10 0.286 4.570E+02 /
+NEOC7H16+C2H3=NC7H15+C2H4 +1.500E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC7H16+C2H3=OC7H15+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NEOC7H16+C2H3=PC7H15+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NEOC7H16+C2H3=QC7H15+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC7H16+CH3O2=NC7H15+CH3O2H +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 6.521E+04 1.994 1.426E+03 /
+NEOC7H16+CH3O2=OC7H15+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.166E+03 2.340 2.120E+03 /
+NEOC7H16+CH3O2=PC7H15+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.166E+03 2.340 2.120E+03 /
+NEOC7H16+CH3O2=QC7H15+CH3O2H +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.768E+04 1.994 1.436E+03 /
+NEOC7H16+NC7H15O2=NC7H15+NC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=NC7H15+OC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=NC7H15+PC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=NC7H15+QC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+NC7H15O2=OC7H15+NC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=OC7H15+OC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=OC7H15+PC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=OC7H15+QC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+NC7H15O2=PC7H15+NC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=PC7H15+OC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=PC7H15+PC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=PC7H15+QC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+NC7H15O2=QC7H15+NC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=QC7H15+OC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=QC7H15+PC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=QC7H15+QC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+O2CHO=NC7H15+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.743E+02 2.300 3.066E+03 /
+NEOC7H16+O2CHO=OC7H15+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.471E+01 2.640 2.829E+03 /
+NEOC7H16+O2CHO=PC7H15+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.471E+01 2.640 2.829E+03 /
+NEOC7H16+O2CHO=QC7H15+HO2CHO +8.400E+12 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.735E+02 2.300 3.066E+03 /
+NC7H15=IC4H8+NC3H7 +7.638E+22 -2.615 +32570.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.060E+04 /
+NC7H15=AC6H12+CH3 +1.250E+21 -2.183 +34280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.060E+04 /
+OC7H15=BC6H12+CH3 +4.955E+20 -2.013 +33920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.060E+04 /
+OC7H15=NEOC6H12+CH3 +2.373E+17 -1.354 +32500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.200E+03 /
+OC7H15=OC7H14+H +3.331E+13 -0.086 +36260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+PC7H15=TC4H9+C3H6 +2.308E+23 -2.801 +29340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.200E+03 /
+PC7H15=PC7H14+H +1.528E+13 +0.097 +36810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 1.200E+03 /
+PC7H15=OC7H14+H +1.281E+13 -0.086 +36260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.500E+03 /
+QC7H15=C2H4+NEOC5H11 +4.061E+15 -0.634 +29100.0 ! *:_:* LLNL *:_:*
+ REV/ 3.300E+11 0.000 7.200E+03 /
+QC7H15=PC7H14+H +2.364E+14 -0.249 +35600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+OC7H15+O2=OC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+PC7H15+O2=OC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+PC7H15+O2=PC7H14+HO2 +4.500E-29 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+QC7H15+O2=PC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+NC7H15=PC7H15 +2.000E+11 +0.000 +18100.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+11 0.000 2.110E+04 /
+NC7H15=QC7H15 +3.000E+11 +0.000 +14100.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+11 0.000 1.410E+04 /
+NC7H15+HO2=NC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.341E+15 -0.565 2.595E+04 /
+OC7H15+HO2=OC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.083E+17 -1.147 2.786E+04 /
+PC7H15+HO2=PC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.083E+17 -1.147 2.786E+04 /
+QC7H15+HO2=QC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.340E+15 -0.565 2.595E+04 /
+NC7H15+CH3O2=NC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.090E+14 -0.266 3.019E+04 /
+OC7H15+CH3O2=OC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.928E+16 -0.849 3.210E+04 /
+PC7H15+CH3O2=PC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.928E+16 -0.849 3.210E+04 /
+QC7H15+CH3O2=QC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.089E+14 -0.266 3.019E+04 /
+PC7H14=TC4H9+C3H5-A +1.861E+27 -3.388 +74280.0 ! *:_:* LLNL *:_:*
+ REV/ 7.220E+14 -0.750 -1.310E+02 /
+OC7H14=CC6H11-B+CH3 +3.087E+24 -2.516 +74100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.020E+14 -0.320 -1.310E+02 /
+OC7H14+OH=C2H5CHO+TC4H9 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14+OH=NEOC5H11+CH3CHO +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14+OH=NEOC5H11+CH3CHO +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14+OH=CH2O+HC6H13 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14+O=TC4H9+HCO+C2H4 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14+O=CH2O+NEOC6H12 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14+H=OC7H13-N+H2 +1.995E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.105E+04 2.540 1.112E+04 /
+OC7H14+H=PC7H13-O+H2 +1.730E+04 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 4.865E+05 2.060 2.085E+04 /
+OC7H14+OH=OC7H13-N+H2O +1.581E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.065E+09 0.970 2.110E+04 /
+OC7H14+OH=PC7H13-O+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.799E+08 1.560 3.322E+04 /
+PC7H14+H=PC7H13-N+H2 +1.995E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.087E+04 2.540 1.112E+04 /
+PC7H14+H=PC7H13-O+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.354E+06 2.100 2.042E+04 /
+PC7H14+OH=PC7H13-N+H2O +1.581E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.059E+09 0.960 2.110E+04 /
+PC7H14+OH=PC7H13-O+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+06 2.380 3.345E+04 /
+OC7H13-N=IC4H8+C3H5-S +3.475E+21 -2.390 +44670.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+PC7H13-N=IC4H8+C3H5-A +4.890E+19 -2.090 +19390.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+PC7H13-O=PC7H13-N +4.172E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.006E+08 0.250 1.055E+04 /
+PC7H13-O+HO2=PC7H13O-O+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.725E+15 -1.120 1.569E+04 /
+PC7H13-O+CH3O2=PC7H13O-O+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.522E+17 -1.700 2.045E+04 /
+PC7H13-O+C2H5O2=PC7H13O-O+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.579E+14 -0.770 1.829E+04 /
+PC7H13O-O=C2H3CHO+TC4H9 +4.556E+21 -2.340 +7565.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+PC7H13O-O=TC4H9CHO+C2H3 +8.531E+17 -1.500 +24330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+NC7H15O2=NC7H15+O2 +1.485E+20 -1.713 +35790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+OC7H15O2=OC7H15+O2 +2.759E+22 -2.386 +38110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+12 0.000 0.000E+00 /
+PC7H15O2=PC7H15+O2 +2.759E+22 -2.386 +38110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+12 0.000 0.000E+00 /
+QC7H15O2=QC7H15+O2 +5.411E+20 -1.713 +35790.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+NC7H15+NC7H15O2=2NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.743E+13 -0.209 2.943E+04 /
+NC7H15+OC7H15O2=NC7H15O+OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.876E+13 -0.119 2.903E+04 /
+NC7H15+PC7H15O2=NC7H15O+PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.876E+13 -0.119 2.903E+04 /
+NC7H15+QC7H15O2=NC7H15O+QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.741E+13 -0.209 2.943E+04 /
+OC7H15+NC7H15O2=OC7H15O+NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.991E+15 -0.792 3.135E+04 /
+OC7H15+OC7H15O2=2OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+OC7H15+PC7H15O2=OC7H15O+PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+OC7H15+QC7H15O2=OC7H15O+QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.989E+15 -0.792 3.135E+04 /
+PC7H15+NC7H15O2=PC7H15O+NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.991E+15 -0.792 3.135E+04 /
+PC7H15+OC7H15O2=PC7H15O+OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+PC7H15+PC7H15O2=2PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+PC7H15+QC7H15O2=PC7H15O+QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.989E+15 -0.792 3.135E+04 /
+QC7H15+NC7H15O2=QC7H15O+NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.739E+13 -0.209 2.943E+04 /
+QC7H15+OC7H15O2=QC7H15O+OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.874E+13 -0.119 2.903E+04 /
+QC7H15+PC7H15O2=QC7H15O+PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.874E+13 -0.119 2.903E+04 /
+QC7H15+QC7H15O2=2QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.736E+13 -0.209 2.943E+04 /
+NC7H15O2+HO2=NC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.740E+13 -0.792 3.361E+04 /
+OC7H15O2+HO2=OC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.527E+13 -0.816 3.364E+04 /
+PC7H15O2+HO2=PC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.527E+13 -0.816 3.364E+04 /
+QC7H15O2+HO2=QC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.742E+13 -0.792 3.361E+04 /
+NC7H15O2+H2O2=NC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+OC7H15O2+H2O2=OC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+PC7H15O2+H2O2=PC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+QC7H15O2+H2O2=QC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+NC7H15O2+CH3O2=NC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H15O2+CH3O2=OC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H15O2+CH3O2=PC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H15O2+CH3O2=QC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2NC7H15O2=O2+2NC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2+OC7H15O2=O2+NC7H15O+OC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2+PC7H15O2=O2+NC7H15O+PC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2+QC7H15O2=O2+NC7H15O+QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2OC7H15O2=O2+2OC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H15O2+PC7H15O2=O2+OC7H15O+PC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H15O2+QC7H15O2=O2+OC7H15O+QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2PC7H15O2=O2+2PC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H15O2+QC7H15O2=O2+PC7H15O+QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2QC7H15O2=O2+2QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2H=NC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.865E+07 1.940 -6.732E+03 /
+OC7H15O2H=OC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.714E+06 2.055 -7.162E+03 /
+PC7H15O2H=PC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.714E+06 2.055 -7.162E+03 /
+QC7H15O2H=QC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.864E+07 1.940 -6.732E+03 /
+NC7H15O=CH2O+BC6H13 +5.314E+24 -3.295 +23120.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.190E+04 /
+OC7H15O=C2H5CHO+TC4H9 +6.383E+21 -2.171 +18140.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.290E+04 /
+OC7H15O=C2H5+TC4H9CHO +9.787E+21 -2.518 +22720.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.000 1.290E+04 /
+PC7H15O=CH3CHO+NEOC5H11 +7.500E+17 -1.279 +18870.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.290E+04 /
+QC7H15O=CH2O+HC6H13 +5.855E+20 -2.265 +24560.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.190E+04 /
+NC7H15O2=NC7H14OOH-N2 +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.828E+11 -0.509 8.940E+03 /
+NC7H15O2=NC7H14OOH-O +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.335E+09 -0.092 7.830E+03 /
+NC7H15O2=NC7H14OOH-P +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.918E+08 -0.092 6.030E+03 /
+NC7H15O2=NC7H14OOH-Q +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.428E+09 -0.509 1.009E+04 /
+OC7H15O2=OC7H14OOH-N +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.047E+11 -0.526 8.960E+03 /
+OC7H15O2=OC7H14OOH-P +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.455E+10 -0.056 1.380E+04 /
+OC7H15O2=OC7H14OOH-Q +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.046E+11 -0.526 8.960E+03 /
+PC7H15O2=PC7H14OOH-N +1.406E+10 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.309E+10 -0.526 6.910E+03 /
+PC7H15O2=PC7H14OOH-O +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.455E+10 -0.056 1.380E+04 /
+PC7H15O2=PC7H14OOH-Q +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.366E+11 -0.526 1.396E+04 /
+QC7H15O2=QC7H14OOH-N +1.758E+09 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.430E+09 -0.509 1.009E+04 /
+QC7H15O2=QC7H14OOH-O +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.334E+09 -0.092 7.830E+03 /
+QC7H15O2=QC7H14OOH-P +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.868E+10 -0.092 1.383E+04 /
+OC7H15O2=OC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.736E+28 -5.710 1.749E+04 /
+PC7H15O2=OC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.736E+28 -5.710 1.749E+04 /
+PC7H15O2=PC7H14+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 8.197E+32 -7.193 1.664E+04 /
+QC7H15O2=PC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.710E+29 -6.220 2.047E+04 /
+NC7H14OOH-N2=N-NC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-O=N-OC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-P=N-PC7H14O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-Q=N-QC7H14O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-N=N-OC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-P=O-PC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-Q=O-QC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OOH-N=N-PC7H14O+OH +9.375E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OOH-O=O-PC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OOH-Q=P-QC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-N=N-QC7H14O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-O=O-QC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-P=P-QC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-P=OC7H14+HO2 +1.231E+20 -2.456 +23350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.253E+11 0.000 1.340E+04 /
+PC7H14OOH-O=OC7H14+HO2 +1.231E+20 -2.456 +23350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.253E+11 0.000 1.340E+04 /
+PC7H14OOH-Q=PC7H14+HO2 +7.520E+21 -2.744 +22770.0 ! *:_:* LLNL *:_:*
+ REV/ 4.355E+11 0.000 1.336E+04 /
+QC7H14OOH-P=PC7H14+HO2 +2.113E+19 -1.982 +20360.0 ! *:_:* LLNL *:_:*
+ REV/ 4.355E+11 0.000 1.336E+04 /
+NC7H14OOH-N2=OH+CH2O+AC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-O=OH+CH2O+BC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-N=OH+C2H5CHO+IC4H8 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-Q=OH+TC4H9CHO+C2H4 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-O=OH+CH2O+NEOC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-N2O2=NC7H14OOH-N2+O2 +9.198E+19 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+NC7H14OOH-OO2=NC7H14OOH-O+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+NC7H14OOH-PO2=NC7H14OOH-P+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+NC7H14OOH-QO2=NC7H14OOH-Q+O2 +3.353E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+OC7H14OOH-NO2=OC7H14OOH-N+O2 +5.582E+19 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+OC7H14OOH-PO2=OC7H14OOH-P+O2 +2.100E+22 -2.302 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+OC7H14OOH-QO2=OC7H14OOH-Q+O2 +2.034E+20 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+PC7H14OOH-NO2=PC7H14OOH-N+O2 +5.582E+19 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+PC7H14OOH-OO2=PC7H14OOH-O+O2 +2.100E+22 -2.302 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+PC7H14OOH-QO2=PC7H14OOH-Q+O2 +2.034E+20 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+QC7H14OOH-NO2=QC7H14OOH-N+O2 +3.353E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+QC7H14OOH-OO2=QC7H14OOH-O+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+QC7H14OOH-PO2=QC7H14OOH-P+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+NC7H14OOH-N2O2=NEOC7KETNN+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.843E+02 1.457 4.373E+04 /
+NC7H14OOH-OO2=NEOC7KETNO+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.234E+03 1.388 4.379E+04 /
+NC7H14OOH-PO2=NEOC7KETNP+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.042E+02 1.388 4.174E+04 /
+NC7H14OOH-QO2=NEOC7KETNQ+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.065E+01 1.457 4.488E+04 /
+OC7H14OOH-NO2=NEOC7KETON+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 9.351E+01 1.834 4.317E+04 /
+OC7H14OOH-PO2=NEOC7KETOP+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.755E+03 1.631 4.837E+04 /
+OC7H14OOH-QO2=NEOC7KETOQ+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 9.357E+01 1.834 4.317E+04 /
+PC7H14OOH-NO2=NEOC7KETPN+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 8.385E+00 1.903 4.223E+04 /
+PC7H14OOH-OO2=NEOC7KETPO+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.803E+03 1.714 4.917E+04 /
+PC7H14OOH-QO2=NEOC7KETPQ+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.473E+02 1.888 5.003E+04 /
+QC7H14OOH-NO2=NEOC7KETQN+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.899E+01 1.511 4.587E+04 /
+QC7H14OOH-OO2=NEOC7KETQO+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.338E+02 1.546 4.468E+04 /
+QC7H14OOH-PO2=NEOC7KETQP+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.367E+04 1.366 4.890E+04 /
+NEOC7KETNN=CH2O+C5H10CHO2-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETNO=C2H5CHO+TC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETNP=CH3CHO+TC4H8CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETNQ=CH2O+IC5H10CHO-BD+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETON=CH2O+TC3H6COC2H5+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETOP=CH3CHO+TC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETOQ=CH2O+TC4H9COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETPN=CH2O+TC3H6CH2COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETPO=TC4H9CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETPQ=CH2O+NEOC5H11CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETQN=CH2O+BC5H10CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETQO=TC4H9CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETQP=NEOC5H11CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+OH=AC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+OH=BC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+OH=C3H6+TC3H6CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+OH=C2H4+TC4H8CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+OH=CH3CHCO+TC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+OH=NEOC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+OH=C2H3CHO+TC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+OH=AC6H11-C+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+OH=IC4H8+C2H5CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+OH=IC4H8+CH3COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+OH=IC4H8+CH2CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+OH=TC4H9CO+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+OH=C2H4+TC4H9CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+OH=CH2CO+NEOC5H11+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+HO2=AC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+HO2=BC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+HO2=C3H6+TC3H6CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+HO2=C2H4+TC4H8CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+HO2=CH3CHCO+TC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+HO2=NEOC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+HO2=C2H3CHO+TC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+HO2=AC6H11-C+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+HO2=IC4H8+C2H5CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+HO2=IC4H8+CH3COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+HO2=IC4H8+CH2CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+HO2=TC4H9CO+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+HO2=C2H4+TC4H9CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+HO2=CH2CO+NEOC5H11+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OH=OC7H14+OH +1.073E+16 -1.000 +30210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+OO2C7H14OH=OC7H14OH+O2 +5.892E+21 -2.080 +37890.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+OO2C7H14OH=TC4H9CHO+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OH=PC7H14+OH +6.108E+14 -0.540 +27630.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+PO2C7H14OH=PC7H14OH+O2 +2.416E+21 -1.960 +37800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+PO2C7H14OH=NEOC5H11CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8H18=AC8H17+H +5.748E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=BC8H17+H +3.299E+18 -0.721 +98730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=CC8H17+H +1.146E+19 -0.941 +95430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=DC8H17+H +1.919E+17 -0.360 +100400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=YC7H15+CH3 +1.635E+27 -2.794 +83930.0 ! *:_:* LLNL *:_:*
+ REV/ 1.630E+13 0.000 -5.960E+02 /
+IC8H18=PC7H15+CH3 +1.376E+26 -2.591 +85860.0 ! *:_:* LLNL *:_:*
+ REV/ 1.930E+14 -0.320 0.000E+00 /
+IC8H18=TC4H9+IC4H9 +7.828E+29 -3.925 +84150.0 ! *:_:* LLNL *:_:*
+ REV/ 3.590E+14 -0.750 0.000E+00 /
+IC8H18=NEOC5H11+IC3H7 +2.455E+23 -2.013 +83400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.590E+14 -0.750 0.000E+00 /
+IC8H18+H=AC8H17+H2 +7.341E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 5.100E+01 3.404 1.048E+04 /
+IC8H18+H=BC8H17+H2 +5.736E+05 +2.491 +4124.0 ! *:_:* LLNL *:_:*
+ REV/ 6.942E+00 3.488 8.954E+03 /
+IC8H18+H=CC8H17+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 2.097E+00 3.617 1.071E+04 /
+IC8H18+H=DC8H17+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.911E+01 3.386 9.417E+03 /
+IC8H18+O=AC8H17+OH +8.550E+03 +3.050 +3123.0 ! *:_:* LLNL *:_:*
+ REV/ 3.118E-01 3.666 4.048E+03 /
+IC8H18+O=BC8H17+OH +4.770E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.030E-01 3.687 5.524E+03 /
+IC8H18+O=CC8H17+OH +3.830E+05 +2.410 +1140.0 ! *:_:* LLNL *:_:*
+ REV/ 7.003E-01 3.607 7.858E+03 /
+IC8H18+O=DC8H17+OH +2.853E+05 +2.500 +3645.0 ! *:_:* LLNL *:_:*
+ REV/ 3.116E+01 3.116 5.370E+03 /
+IC8H18+OH=AC8H17+H2O +2.630E+07 +1.800 +1431.0 ! *:_:* LLNL *:_:*
+IC8H18+OH=BC8H17+H2O +9.000E+05 +2.000 -1133.0 ! *:_:* LLNL *:_:*
+ REV/ 1.159E+02 2.891 1.859E+04 /
+IC8H18+OH=CC8H17+H2O +1.700E+06 +1.900 -1450.0 ! *:_:* LLNL *:_:*
+ REV/ 6.301E+01 3.011 2.157E+04 /
+IC8H18+OH=DC8H17+H2O +1.780E+07 +1.800 +1431.0 ! *:_:* LLNL *:_:*
+ REV/ 3.940E+04 2.330 1.946E+04 /
+IC8H18+CH3=AC8H17+CH4 +4.257E-14 +8.060 +4154.0 ! *:_:* LLNL *:_:*
+ REV/ 2.699E-15 8.250 8.031E+03 /
+IC8H18+CH3=BC8H17+CH4 +2.705E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 2.988E+02 2.811 1.366E+04 /
+IC8H18+CH3=CC8H17+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 1.911E-12 7.131 1.056E+04 /
+IC8H18+CH3=DC8H17+CH4 +1.470E-01 +3.870 +6808.0 ! *:_:* LLNL *:_:*
+ REV/ 2.791E-02 4.060 1.148E+04 /
+IC8H18+HO2=AC8H17+H2O2 +6.120E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+IC8H18+HO2=BC8H17+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+IC8H18+HO2=CC8H17+H2O2 +4.332E+02 +3.010 +12090.0 ! *:_:* LLNL *:_:*
+IC8H18+HO2=DC8H17+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O=AC8H17+CH3OH +4.740E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC8H18+CH3O=BC8H17+CH3OH +1.095E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+IC8H18+CH3O=CC8H17+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+IC8H18+CH3O=DC8H17+CH3OH +3.200E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC8H18+O2=AC8H17+HO2 +6.300E+13 +0.000 +50760.0 ! *:_:* LLNL *:_:*
+ REV/ 2.296E+10 0.288 -1.592E+03 /
+IC8H18+O2=BC8H17+HO2 +1.400E+13 +0.000 +48210.0 ! *:_:* LLNL *:_:*
+ REV/ 8.889E+08 0.649 -1.649E+03 /
+IC8H18+O2=CC8H17+HO2 +7.000E+12 +0.000 +46060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.279E+08 0.869 -4.990E+02 /
+IC8H18+O2=DC8H17+HO2 +4.200E+13 +0.000 +50760.0 ! *:_:* LLNL *:_:*
+ REV/ 4.584E+10 0.288 -7.920E+02 /
+IC8H18+C2H5=AC8H17+C2H6 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC8H18+C2H5=BC8H17+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC8H18+C2H5=CC8H17+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+IC8H18+C2H5=DC8H17+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC8H18+C2H3=AC8H17+C2H4 +1.500E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.000 2.540E+04 /
+IC8H18+C2H3=BC8H17+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC8H18+C2H3=CC8H17+C2H4 +2.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+12 0.000 2.300E+04 /
+IC8H18+C2H3=DC8H17+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.000 2.540E+04 /
+XC7H14+CH3=AC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+13 0.30 2.832E+04 /
+IC4H8+IC4H9=AC8H17 +6.090E+02 +2.480 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 2.458E+14 -0.14 2.678E+04 /
+YC7H14+CH3=BC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 4.702E+12 0.48 2.821E+04 /
+OC7H14+CH3=BC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 3.598E+10 0.86 2.941E+04 /
+IC4H8+TC4H9=CC8H17 +6.090E+02 +2.480 +6130.0 ! *:_:* LLNL *:_:*
+ REV/ 6.245E+14 -0.14 2.589E+04 /
+PC7H14+CH3=DC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+11 0.69 2.957E+04 /
+C3H6+NEOC5H11=DC8H17 +4.000E+02 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 3.734E+08 1.57 2.702E+04 /
+BC8H17=IC8H16+H +1.843E+12 +0.376 +35240.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.500 2.620E+03 /
+CC8H17=IC8H16+H +8.995E+11 +0.596 +37150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+12 0.500 1.230E+03 /
+CC8H17=JC8H16+H +4.213E+11 +0.777 +36690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+12 0.500 1.230E+03 /
+CC8H17+O2=IC8H16+HO2 +3.000E-19 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC8H17+O2=JC8H16+HO2 +1.500E-19 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC8H17=JC8H16+H +1.484E+13 +0.196 +33090.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.500 2.620E+03 /
+AC8H17=DC8H17 +1.390E+11 +0.000 +15400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.163E+11 0.000 1.620E+04 /
+AC8H17=CC8H17 +3.708E+11 +0.000 +20400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.859E+10 0.581 2.619E+04 /
+DC8H17+O2=JC8H16+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+IC8H16+H=IC8H15+H2 +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.424E+12 0.029 1.957E+04 /
+JC8H16+H=IC8H15+H2 +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.603E+12 0.210 1.911E+04 /
+IC8H16+O=IC8H15+OH +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.797E+12 0.009 1.816E+04 /
+JC8H16+O=IC8H15+OH +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 8.417E+11 0.190 1.770E+04 /
+IC8H16+OH=IC8H15+H2O +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.643E+13 -0.077 3.446E+04 /
+JC8H16+OH=IC8H15+H2O +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.706E+13 0.104 3.400E+04 /
+IC8H15=IC4H8+IC4H7-I1 +8.986E+24 -2.992 +53600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC8H16+CH3=IC8H15+CH4 +2.000E+12 +0.000 +7300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.689E+14 -0.417 2.451E+04 /
+JC8H16+CH3=IC8H15+CH4 +2.000E+12 +0.000 +7300.0 ! *:_:* LLNL *:_:*
+ REV/ 7.911E+13 -0.236 2.405E+04 /
+IC8H16+OH=CH3COCH3+NEOC5H11 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+JC8H16+OH=CH2O+PC7H15 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+JC8H16+O=CH2O+PC7H14 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8H18+CH3O2=AC8H17+CH3O2H +2.079E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O2=BC8H17+CH3O2H +1.016E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O2=CC8H17+CH3O2H +1.366E+02 +3.120 +13190.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O2=DC8H17+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+IC8H18+AC8H17O2=AC8H17+AC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=AC8H17+BC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=AC8H17+CC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=AC8H17+DC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+AC8H17O2=BC8H17+AC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=BC8H17+BC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=BC8H17+CC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=BC8H17+DC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+AC8H17O2=CC8H17+AC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=CC8H17+BC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=CC8H17+CC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=CC8H17+DC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+AC8H17O2=DC8H17+AC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=DC8H17+BC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=DC8H17+CC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=DC8H17+DC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+O2CHO=AC8H17+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.581E+02 2.300 3.062E+03 /
+IC8H18+O2CHO=BC8H17+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.160E+01 2.660 2.806E+03 /
+IC8H18+O2CHO=CC8H17+HO2CHO +2.800E+12 +0.000 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 3.109E+00 2.880 4.633E+03 /
+IC8H18+O2CHO=DC8H17+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.114E+03 2.300 3.862E+03 /
+IC8H18+IC4H6OH=AC8H17+IC4H7OH +7.050E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 2.768E-01 3.903 6.526E+03 /
+IC8H18+IC4H6OH=BC8H17+IC4H7OH +1.568E+02 +3.300 +18170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.072E-02 4.264 7.350E+03 /
+IC8H18+IC4H6OH=CC8H17+IC4H7OH +8.440E+01 +3.300 +17170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.661E-03 4.484 9.648E+03 /
+IC8H18+IC4H6OH=DC8H17+IC4H7OH +4.700E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 5.526E-01 3.903 7.326E+03 /
+AC8H17O2=AC8H17+O2 +3.465E+20 -1.653 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC8H17O2=BC8H17+O2 +1.046E+23 -2.323 +38840.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+CC8H17O2=CC8H17+O2 +3.620E+24 -2.560 +36010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC8H17O2=DC8H17+O2 +3.465E+20 -1.653 +34920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC8H17+AC8H17O2=2AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.479E+13 -0.155 2.936E+04 /
+AC8H17+BC8H17O2=AC8H17O+BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.991E+13 -0.123 2.823E+04 /
+AC8H17+CC8H17O2=AC8H17O+CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.354E+13 -0.163 3.017E+04 /
+AC8H17+DC8H17O2=AC8H17O+DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.252E+13 -0.155 2.936E+04 /
+BC8H17+AC8H17O2=BC8H17O+AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.035E+15 -0.794 3.135E+04 /
+BC8H17+BC8H17O2=2BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.960E+15 -0.761 3.022E+04 /
+BC8H17+CC8H17O2=BC8H17O+CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.071E+15 -0.801 3.216E+04 /
+BC8H17+DC8H17O2=BC8H17O+DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.535E+15 -0.794 3.135E+04 /
+CC8H17+AC8H17O2=CC8H17O+AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.458E+17 -1.070 3.046E+04 /
+CC8H17+BC8H17O2=CC8H17O+BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.123E+17 -1.038 2.933E+04 /
+CC8H17+CC8H17O2=2CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.797E+16 -1.078 3.127E+04 /
+CC8H17+DC8H17O2=CC8H17O+DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.317E+16 -1.070 3.046E+04 /
+DC8H17+AC8H17O2=DC8H17O+AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.252E+13 -0.155 2.856E+04 /
+DC8H17+BC8H17O2=DC8H17O+BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.505E+13 -0.123 2.743E+04 /
+DC8H17+CC8H17O2=DC8H17O+CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.185E+13 -0.163 2.937E+04 /
+DC8H17+DC8H17O2=2DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.632E+13 -0.155 2.856E+04 /
+AC8H17+HO2=AC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.180E+15 -0.508 2.588E+04 /
+BC8H17+HO2=BC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.040E+17 -1.146 2.787E+04 /
+CC8H17+HO2=CC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.906E+18 -1.423 2.698E+04 /
+DC8H17+HO2=DC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.094E+15 -0.508 2.508E+04 /
+AC8H17+CH3O2=AC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.364E+14 -0.209 3.012E+04 /
+BC8H17+CH3O2=BC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.902E+16 -0.847 3.211E+04 /
+CC8H17+CH3O2=CC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.069E+17 -1.124 3.122E+04 /
+DC8H17+CH3O2=DC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.844E+13 -0.209 2.932E+04 /
+AC8H17O2+HO2=AC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.067E+13 -0.803 3.362E+04 /
+BC8H17O2+HO2=BC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.746E+13 -0.791 3.361E+04 /
+CC8H17O2+HO2=CC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.752E+13 -0.792 3.361E+04 /
+DC8H17O2+HO2=DC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.068E+13 -0.803 3.362E+04 /
+H2O2+AC8H17O2=HO2+AC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+H2O2+BC8H17O2=HO2+BC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+H2O2+CC8H17O2=HO2+CC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+H2O2+DC8H17O2=HO2+DC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+AC8H17O2+CH3O2=AC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H17O2+CH3O2=BC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H17O2+CH3O2=CC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H17O2+CH3O2=DC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2AC8H17O2=O2+2AC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2+BC8H17O2=AC8H17O+BC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2+CC8H17O2=AC8H17O+CC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2+DC8H17O2=AC8H17O+DC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2BC8H17O2=O2+2BC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H17O2+CC8H17O2=BC8H17O+CC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H17O2+DC8H17O2=BC8H17O+DC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2CC8H17O2=O2+2CC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H17O2+DC8H17O2=CC8H17O+DC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2DC8H17O2=O2+2DC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2H=AC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.748E+07 1.948 -6.742E+03 /
+BC8H17O2H=BC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.462E+07 1.969 -7.862E+03 /
+CC8H17O2H=CC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.273E+07 1.929 -5.922E+03 /
+DC8H17O2H=DC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.771E+06 1.948 -6.742E+03 /
+AC8H17O=YC7H15+CH2O +5.689E+24 -3.208 +19140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+BC8H17O=TC4H9+IC3H7CHO +3.115E+26 -3.578 +15980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+BC8H17O=IC3H7+TC4H9CHO +3.327E+23 -2.891 +18470.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.290E+04 /
+CC8H17O=NEOC5H11+CH3COCH3 +1.206E+20 -1.671 +12340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+DC8H17O=PC7H15+CH2O +6.076E+22 -2.685 +20470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC8H17O2=AC8H16OOH-A +7.500E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+AC8H17O2=AC8H16OOH-B +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+AC8H17O2=AC8H16OOH-C +1.563E+09 +0.000 +16650.0 ! *:_:* LLNL *:_:*
+AC8H17O2=AC8H16OOH-D +1.172E+09 +0.000 +25150.0 ! *:_:* LLNL *:_:*
+BC8H17O2=BC8H16OOH-A +1.125E+11 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+BC8H17O2=BC8H16OOH-C +1.000E+11 +0.000 +23700.0 ! *:_:* LLNL *:_:*
+BC8H17O2=BC8H16OOH-D +7.500E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+CC8H17O2=CC8H16OOH-A +1.406E+10 +0.000 +21950.0 ! *:_:* LLNL *:_:*
+CC8H17O2=CC8H16OOH-B +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+CC8H17O2=CC8H16OOH-D +6.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-A +1.758E+09 +0.000 +25150.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-B +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-C +1.000E+11 +0.000 +23700.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-D +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+BC8H17O2=IC8H16+HO2 +8.530E+35 -7.220 +41490.0 ! *:_:* LLNL *:_:*
+CC8H17O2=IC8H16+HO2 +1.004E+39 -8.110 +42490.0 ! *:_:* LLNL *:_:*
+CC8H17O2=JC8H16+HO2 +2.015E+43 -9.410 +43490.0 ! *:_:* LLNL *:_:*
+DC8H17O2=JC8H16+HO2 +8.530E+35 -7.220 +41490.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-A=IC8ETERAA+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-B=IC8ETERAB+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-C=IC8ETERAC+OH +2.738E+10 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-D=IC8ETERAD+OH +3.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-C=IC8ETERBC+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-A=IC8ETERAB+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-D=IC8ETERBD+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OOH-D=IC8ETERCD+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OOH-B=IC8ETERBC+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OOH-A=IC8ETERAC+OH +2.738E+10 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-C=IC8ETERCD+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-D=IC8ETERDD+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-B=IC8ETERBD+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-A=IC8ETERAD+OH +3.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-C=IC8H16+HO2 +1.526E+20 -2.395 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+CC8H16OOH-D=JC8H16+HO2 +1.174E+22 -2.718 +16740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+CC8H16OOH-B=IC8H16+HO2 +1.132E+21 -2.504 +22960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+DC8H16OOH-C=JC8H16+HO2 +1.883E+18 -1.821 +14960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+AC8H16OOH-A=OH+CH2O+XC7H14 +9.087E+17 -1.260 +28580.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-B=OH+CH2O+YC7H14 +1.252E+17 -1.080 +28210.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-A=OH+IC3H7CHO+IC4H8 +3.118E+21 -2.430 +26330.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-D=OH+TC4H9CHO+C3H6 +1.293E+21 -2.200 +32970.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-B=OH+CH2O+OC7H14 +1.120E+15 -0.460 +30930.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-D=OH+CH2O+PC7H14 +8.013E+15 -0.650 +30890.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-A=XC7H13OOH-X1+CH3 +2.811E+17 -1.170 +28530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.090E+04 /
+AC8H16OOH-A=IC4H7OOH+TC4H9 +1.513E+24 -3.080 +26840.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.230E+04 /
+AC8H16OOH-B=YC7H13OOH-X1+CH3 +1.034E+16 -0.820 +27450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.090E+04 /
+AC8H16OOH-B=OC7H13OOH-N+CH3 +3.765E+14 -0.550 +27330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.020E+04 /
+BC8H16OOH-A=XC7H13OOH-Z+CH3 +2.142E+16 -0.780 +29150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.060E+04 /
+BC8H16OOH-D=PC7H13OOH-O+CH3 +1.395E+15 -0.720 +31780.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 9.200E+03 /
+DC8H16OOH-B=OC7H13OOH-Q+CH3 +2.492E+14 -0.450 +26930.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 9.200E+03 /
+DC8H16OOH-B=YC7H13OOH-X2+CH3 +4.771E+17 -1.010 +29600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.360E+04 /
+DC8H16OOH-D=NEOC5H11+AC3H5OOH +2.009E+22 -2.400 +30980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 9.200E+03 /
+AC8H16OOH-C=IC4H8+IC4H8O2H-T +5.567E+21 -2.400 +27120.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 7.800E+03 /
+CC8H16OOH-A=IC4H8+TC4H8O2H-I +1.734E+23 -2.790 +29800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.060E+04 /
+CC8H16OOH-A=XC7H13OOH-Y2+CH3 +3.516E+17 -1.280 +27140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.060E+04 /
+AC8H16OOH-D=C3H6+NEOC5H10OOH +2.023E+19 -1.900 +28830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.423E+11 -0.300 9.864E+03 /
+AC8H16OOH-AO2=AC8H16OOH-A+O2 +3.251E+20 -1.643 +34920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC8H16OOH-BO2=AC8H16OOH-B+O2 +1.361E+23 -2.357 +37280.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC8H16OOH-CO2=AC8H16OOH-C+O2 +3.258E+24 -2.544 +36700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC8H16OOH-DO2=AC8H16OOH-D+O2 +3.251E+20 -1.643 +34920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC8H16OOH-CO2=BC8H16OOH-C+O2 +1.534E+24 -2.437 +36620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+BC8H16OOH-AO2=BC8H16OOH-A+O2 +2.979E+20 -1.632 +34900.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC8H16OOH-DO2=BC8H16OOH-D+O2 +2.980E+20 -1.632 +34900.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC8H16OOH-DO2=CC8H16OOH-D+O2 +1.683E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC8H16OOH-BO2=CC8H16OOH-B+O2 +1.106E+23 -2.328 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+CC8H16OOH-AO2=CC8H16OOH-A+O2 +3.355E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC8H16OOH-CO2=DC8H16OOH-C+O2 +3.274E+24 -2.544 +37500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC8H16OOH-DO2=DC8H16OOH-D+O2 +1.632E+20 -1.643 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC8H16OOH-BO2=DC8H16OOH-B+O2 +1.362E+23 -2.357 +38080.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC8H16OOH-AO2=DC8H16OOH-A+O2 +3.251E+20 -1.643 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC8H16OOH-AO2=IC8KETAA+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-BO2=IC8KETAB+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-CO2=IC8KETAC+OH +3.125E+09 +0.000 +18950.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-DO2=IC8KETAD+OH +3.906E+08 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+BC8H16OOH-CO2=IC8KETBC+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+BC8H16OOH-AO2=IC8KETBA+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+BC8H16OOH-DO2=IC8KETBD+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-CO2=IC8KETDC+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-DO2=IC8KETDD+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-BO2=IC8KETDB+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-AO2=IC8KETDA+OH +3.906E+08 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+IC8ETERAA+OH=XC7H14+HCO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+OH=YC7H14+HCO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+OH=IC4H8+TC3H6CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+OH=C3H6+TC4H8CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+OH=IC3H5CHO+TC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+OH=OC7H14+HCO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+OH=IC3H5CHO+TC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+OH=C2H3CHO+NEOC5H11+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAA+OH=IC3H5CHO+IC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+OH=IC4H8+IC3H7CO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+OH=CH2O+YC7H13-Y2+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+OH=IC4H8+IC3H6CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+OH=IC3H6CO+TC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+OH=C3H6+TC4H9CO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+OH=CH2O+PC7H13-O+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+OH=CH2O+PC7H13-O+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAA+HO2=XC7H14+HCO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+HO2=YC7H14+HCO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+HO2=IC4H8+TC3H6CHO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+HO2=C3H6+TC4H8CHO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+HO2=IC3H5CHO+TC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+HO2=OC7H14+HCO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+HO2=IC3H5CHO+TC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+HO2=C2H3CHO+NEOC5H11+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAA+HO2=IC3H5CHO+IC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+HO2=IC4H8+IC3H7CO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+HO2=CH2O+YC7H13-Y2+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+HO2=IC4H8+IC3H6CHO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+HO2=IC3H6CO+TC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+HO2=C3H6+TC4H9CO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+HO2=CH2O+PC7H13-O+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+HO2=CH2O+PC7H13-O+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAA=CH2O+DC6H12CHO-D+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAB=IC3H7CHO+TC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAC=CH3COCH3+TC4H8CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAD=CH2O+DC6H12CHO-B+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETBC=CH3COCH3+TC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETBA=CH2O+IC3H7COC3H6-T+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETBD=CH2O+TC4H9COC2H4S+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDC=NEOC5H11COCH3+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDD=CH2O+HC6H12CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDB=TC4H9CHO+CH3CHCHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDA=BC6H12CHO-D+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OH-B=IC8H16+OH +5.836E+16 -1.010 +35400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+BC8H16OH-C=IC8H16+OH +6.328E+15 -0.800 +34880.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CC8H16OH-D=JC8H16+OH +8.350E+17 -1.260 +32550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+DC8H16OH-C=JC8H16+OH +1.028E+14 -0.360 +29950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CC8H16OH-D=NEOC5H11+IC3H5OH +1.617E+22 -2.490 +31020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+BC8H16OH-C=TC4H9+IC4H7OH +3.441E+22 -2.640 +32690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+CC8H16OH-BO2=CC8H16OH-B+O2 +7.675E+20 -2.000 +35510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+12 0.000 0.000E+00 /
+BC8H16OH-CO2=BC8H16OH-C+O2 +1.033E+22 -2.180 +34770.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CC8H16OH-DO2=CC8H16OH-D+O2 +1.963E+18 -1.450 +34310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 0.000E+00 /
+DC8H16OH-CO2=DC8H16OH-C+O2 +1.638E+22 -2.160 +34730.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CC8H16OH-BO2=CC8H16O-BO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.419E+15 -0.930 3.590E+03 /
+BC8H16OH-CO2=BC8H16O-CO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.382E+15 -0.920 3.580E+03 /
+CC8H16OH-DO2=CC8H16O-DO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.418E+15 -0.930 3.580E+03 /
+DC8H16OH-CO2=DC8H16O-CO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.420E+15 -0.930 3.590E+03 /
+CC8H16O-BO2H=TC4H9CHO+CH3COCH3+OH +3.861E+23 -3.090 +13000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16O-CO2H=TC4H9CHO+CH3COCH3+OH +1.611E+23 -2.870 +15090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16O-DO2H=NEOC5H11COCH3+CH2O+OH +8.325E+18 -1.470 +17910.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16O-CO2H=NEOC5H11COCH3+CH2O+OH +5.850E+20 -2.070 +16880.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6H13CHO-B+OH=IC6H13CO-B+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.572E+12 -0.030 3.095E+04 /
+IC6H13CHO-B+OH=AC6H12CHO-B+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.174E+07 1.520 2.821E+04 /
+IC6H13CHO-B+OH=CC6H12CHO-B+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.905E+05 1.980 2.186E+04 /
+IC6H13CHO-B+OH=DC6H12CHO-B+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.905E+05 1.980 2.186E+04 /
+IC6H13CHO-B+OH=EC6H12CHO-B+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.093E+09 0.960 2.102E+04 /
+IC6H13CHO-B+HO2=IC6H13CO-B+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.531E+12 -0.360 1.202E+04 /
+IC6H13CHO-B+HO2=AC6H12CHO-B+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 6.797E+04 2.210 4.452E+03 /
+IC6H13CHO-B+HO2=CC6H12CHO-B+H2O2 +2.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+03 2.640 4.342E+03 /
+IC6H13CHO-B+HO2=DC6H12CHO-B+H2O2 +2.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+03 2.640 4.342E+03 /
+IC6H13CHO-B+HO2=EC6H12CHO-B+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.398E+04 2.210 4.452E+03 /
+IC6H13CHO-B+CH3O2=IC6H13CO-B+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.862E+13 -0.530 1.130E+04 /
+IC6H13CHO-B+CH3O2=AC6H12CHO-B+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.408E+05 2.040 3.746E+03 /
+IC6H13CHO-B+CH3O2=CC6H12CHO-B+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.535E+11 -0.140 6.764E+03 /
+IC6H13CHO-B+CH3O2=DC6H12CHO-B+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.535E+11 -0.140 6.764E+03 /
+IC6H13CHO-B+CH3O2=EC6H12CHO-B+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.051E+13 -0.510 6.627E+03 /
+IC6H13CO-B=BC6H13+CO +1.164E+21 -2.320 +11000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC6H13CO-B=IC3H6CO+NC3H7 +5.078E+20 -1.910 +38720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+AC6H12CHO-B=AC6H12+HCO +9.365E+18 -1.660 +19830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+AC6H12CHO-B=IC3H5CHO+NC3H7 +4.476E+19 -1.810 +27120.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+CC6H12CHO-B=BC6H12+HCO +6.473E+17 -1.460 +25210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+DC6H12CHO-B=C3H6+TC3H6CHO +2.730E+17 -1.450 +21020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+EC6H12CHO-B=C2H4+TC4H8CHO +5.062E+18 -1.570 +30410.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC6H13CHO-D+OH=IC6H13CO-D+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.179E+12 0.000 3.092E+04 /
+IC6H13CHO-D+OH=AC6H12CHO-D+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.141E+07 1.520 2.821E+04 /
+IC6H13CHO-D+OH=BC6H12CHO-D+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 5.982E+09 0.570 2.314E+04 /
+IC6H13CHO-D+OH=CC6H12CHO-D+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 2.545E+05 2.060 2.159E+04 /
+IC6H13CHO-D+OH=DC6H12CHO-D+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.091E+13 -0.170 2.991E+04 /
+IC6H13CHO-D+OH=EC6H12CHO-D+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.082E+09 0.960 2.102E+04 /
+IC6H13CHO-D+HO2=IC6H13CO-D+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.152E+13 -0.330 1.200E+04 /
+IC6H13CHO-D+HO2=AC6H12CHO-D+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.801E+04 2.210 4.466E+03 /
+IC6H13CHO-D+HO2=BC6H12CHO-D+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.687E+09 0.240 4.382E+03 /
+IC6H13CHO-D+HO2=CC6H12CHO-D+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.340E+11 0.090 8.072E+03 /
+IC6H13CHO-D+HO2=DC6H12CHO-D+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.075E+12 -0.500 1.115E+04 /
+IC6H13CHO-D+HO2=EC6H12CHO-D+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.363E+04 2.210 4.452E+03 /
+IC6H13CHO-D+CH3O2=IC6H13CO-D+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.417E+13 -0.510 1.295E+04 /
+IC6H13CHO-D+CH3O2=AC6H12CHO-D+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.384E+05 2.040 3.746E+03 /
+IC6H13CHO-D+CH3O2=BC6H12CHO-D+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.128E+02 2.620 2.274E+03 /
+IC6H13CHO-D+CH3O2=CC6H12CHO-D+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.655E+03 2.520 3.562E+03 /
+IC6H13CHO-D+CH3O2=DC6H12CHO-D+CH3O2H +3.610E+03 +2.550 +10030.0 ! *:_:* LLNL *:_:*
+ REV/ 5.703E+05 1.880 8.544E+03 /
+IC6H13CHO-D+CH3O2=EC6H12CHO-D+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.020E+13 -0.510 6.627E+03 /
+IC6H13CO-D=DC6H13+CO +3.730E+18 -1.630 +12840.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC6H13CO-D=CH3CHCO+IC4H9 +3.828E+19 -1.640 +39740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+AC6H12CHO-D=C3H6+IC3H6CHO +8.430E+18 -1.630 +32600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+BC6H12CHO-D=IC4H8+CH3CHCHO +1.969E+17 -1.500 +23960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+CC6H12CHO-D=CC6H12+HCO +2.806E+15 -0.940 +26460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+DC6H12CHO-D=IC3H5CHO+IC3H7 +7.829E+15 -0.600 +31510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+EC6H12CHO-D=DC6H12+HCO +3.838E+16 -1.190 +26660.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H7COC3H7-I+OH=IC3H7COC3H6-I+H2O +3.060E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.078E+07 1.530 2.821E+04 /
+IC3H7COC3H7-I+OH=IC3H7COC3H6-T+H2O +3.368E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.156E+13 -0.080 2.983E+04 /
+IC3H7COC3H7-I+HO2=IC3H7COC3H6-I+H2O2 +5.480E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.272E+04 2.220 3.472E+03 /
+IC3H7COC3H7-I+HO2=IC3H7COC3H6-T+H2O2 +1.600E+11 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.260E+12 -0.410 1.107E+04 /
+IC3H7COC3H7-I+CH3O2=IC3H7COC3H6-I+CH3O2H +4.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 9.814E+04 2.040 2.752E+03 /
+IC3H7COC3H7-I+CH3O2=IC3H7COC3H6-T+CH3O2H +7.220E+03 +2.550 +8032.0 ! *:_:* LLNL *:_:*
+ REV/ 6.045E+05 1.970 6.464E+03 /
+IC3H7COC3H6-I=C3H6+IC3H7CO +1.859E+19 -1.670 +28050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H7COC3H6-T=IC3H6CO+IC3H7 +1.217E+17 -0.630 +42050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+TC4H9COC2H5+OH=TC4H8COC2H5+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.716E+07 1.520 2.021E+04 /
+TC4H9COC2H5+OH=TC4H9COC2H4P+H2O +5.720E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.178E+09 0.960 2.102E+04 /
+TC4H9COC2H5+OH=TC4H9COC2H4S+H2O +8.950E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.587E+13 -0.220 2.862E+04 /
+TC4H9COC2H5+HO2=TC4H8COC2H5+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.679E+04 2.210 3.472E+03 /
+TC4H9COC2H5+HO2=TC4H9COC2H4P+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.909E+04 2.210 4.462E+03 /
+TC4H9COC2H5+HO2=TC4H9COC2H4S+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.106E+13 -0.550 6.080E+03 /
+TC4H9COC2H5+CH3O2=TC4H8COC2H5+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+05 2.040 2.752E+03 /
+TC4H9COC2H5+CH3O2=TC4H9COC2H4P+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+13 -0.510 6.632E+03 /
+TC4H9COC2H5+CH3O2=TC4H9COC2H4S+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 8.653E+14 -0.720 1.191E+04 /
+TC4H8COC2H5=IC4H8+C2H5CO +2.900E+22 -2.700 +27530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H8COC2H5=IC3H5COC2H5+CH3 +2.726E+16 -1.080 +28110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H9COC2H4P=C2H4+TC4H9CO +2.701E+17 -1.510 +26110.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+TC4H9COC2H4S=CH3CHCO+TC4H9 +4.600E+20 -1.890 +38250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H11COCH3+OH=NEOC5H11COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.077E+11 -0.010 2.063E+04 /
+NEOC5H11COCH3+OH=NEOC5H10COCH3+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.838E+07 1.520 2.021E+04 /
+NEOC5H11COCH3+OH=TC4H9CHCOCH3+H2O +8.950E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.823E+13 -0.240 2.864E+04 /
+NEOC5H11COCH3+HO2=TC4H9CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.419E+13 -0.560 6.100E+03 /
+NEOC5H11COCH3+HO2=NEOC5H11COCH2+H2O2 +2.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.985E+04 2.210 3.472E+03 /
+NEOC5H11COCH3+HO2=NEOC5H10COCH3+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.775E+04 2.210 3.472E+03 /
+NEOC5H11COCH3+CH3O2=NEOC5H11COCH2+CH3O2H +3.010E+13 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.551E+14 -0.510 4.832E+03 /
+NEOC5H11COCH3+CH3O2=NEOC5H10COCH3+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.551E+05 2.040 2.752E+03 /
+NEOC5H11COCH3+CH3O2=TC4H9CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 9.939E+14 -0.740 1.193E+04 /
+NEOC5H11COCH2=CH2CO+NEOC5H11 +7.583E+16 -1.100 +36710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+NEOC5H10COCH3=IC4H8+CH3COCH2 +1.270E+21 -2.310 +28580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H10COCH3=IC4H7COCH3+CH3 +2.331E+17 -1.220 +32560.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H9CHCOCH3=IC3H6CHCOCH3+CH3 +1.896E+18 -1.330 +34130.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC6H13CHO+OH=NEOC6H13CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.399E+12 -0.020 3.094E+04 /
+NEOC6H13CHO+OH=GC6H12CHO+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+06 1.850 2.199E+04 /
+NEOC6H13CHO+OH=HC6H12CHO+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.174E+09 1.340 2.887E+04 /
+NEOC6H13CHO+OH=FC6H12CHO+H2O +1.290E+10 +1.050 +1810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.531E+09 1.050 2.125E+04 /
+NEOC6H13CHO+HO2=NEOC6H13CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.183E+13 -0.350 1.369E+04 /
+NEOC6H13CHO+HO2=GC6H12CHO+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+03 2.520 4.472E+03 /
+NEOC6H13CHO+HO2=HC6H12CHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.194E+13 -0.590 9.362E+03 /
+NEOC6H13CHO+HO2=FC6H12CHO+H2O2 +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.956E+13 -0.330 7.372E+03 /
+NEOC6H13CHO+CH3O2=NEOC6H13CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.737E+13 -0.520 8.872E+03 /
+NEOC6H13CHO+CH3O2=GC6H12CHO+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.247E+12 -0.260 6.894E+03 /
+NEOC6H13CHO+CH3O2=HC6H12CHO+CH3O2H +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.905E+13 -0.770 8.642E+03 /
+NEOC6H13CHO+CH3O2=FC6H12CHO+CH3O2H +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.039E+13 -0.510 6.652E+03 /
+NEOC6H13CO=HC6H13+CO +1.820E+16 -1.190 +13370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+NEOC6H13CO=NEOC5H11+CH2CO +2.040E+17 -1.180 +37200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+GC6H12CHO=NEOC6H12+HCO +3.453E+14 -0.830 +25460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+HC6H12CHO=C2H3CHO+TC4H9 +6.884E+19 -1.760 +27690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+FC6H12CHO=IC4H8+CH2CH2CHO +8.235E+22 -2.670 +32770.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC4H7COCH3+OH=IC4H7COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.009E+13 -0.690 2.766E+04 /
+IC4H7COCH3+OH=IC3H5CHCOCH3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.445E+13 -0.210 2.862E+04 /
+IC4H7COCH3+OH=AC3H4CH2COCH3+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.431E+08 1.390 3.246E+04 /
+IC4H7COCH3+HO2=IC4H7COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.665E+07 1.530 9.691E+03 /
+IC4H7COCH3+HO2=IC3H5CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.030E+13 -0.540 6.080E+03 /
+IC4H7COCH3+HO2=AC3H4CH2COCH3+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 9.961E+06 1.660 1.521E+04 /
+IC4H7COCH3+CH3O2=IC4H7COCH2+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 8.652E+15 -1.190 1.366E+04 /
+IC4H7COCH3+CH3O2=IC3H5CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 8.342E+14 -0.720 1.191E+04 /
+IC4H7COCH3+CH3O2=AC3H4CH2COCH3+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.278E+16 -1.110 1.995E+04 /
+IC4H7COCH2=IC4H7+CH2CO +1.161E+19 -1.760 +39180.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 8.600E+03 /
+IC3H5CHCOCH3=C4H6+CH3CO +4.284E+19 -1.820 +36750.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.300E+04 /
+AC3H4CH2COCH3=C3H4-A+CH3COCH2 +6.837E+21 -2.470 +53970.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+XC7H13OOH-X1=XC7H13O-X1+OH +2.021E+20 -1.580 +47710.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+YC7H13OOH-X1=YC7H13O-X1+OH +4.178E+20 -1.680 +47810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+XC7H13OOH-Z=XC7H13O-Z+OH +3.762E+21 -1.880 +46430.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+XC7H13OOH-Y2=XC7H13O-Y2+OH +8.652E+19 -1.310 +46020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+YC7H13OOH-X2=YC7H13O-X2+OH +1.879E+20 -1.520 +47030.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+OC7H13OOH-N=OC7H13O-N+OH +1.828E+20 -1.510 +47020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+OC7H13OOH-Q=OC7H13O-Q+OH +4.187E+20 -1.680 +47840.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+PC7H13OOH-O=PC7H13O-O+OH +8.219E+19 -1.170 +42490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+XC7H13O-X1=CH2O+DC6H11-D +2.896E+21 -2.389 +34880.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H13O-X1=CH2O+CC6H11-D +2.665E+21 -2.378 +34870.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+XC7H13O-Y2=CH3COCH3+IC4H7 +4.259E+19 -1.670 +16530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H13O-X2=CH2O+CC6H11-B +5.285E+25 -2.062 +35170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+OC7H13O-N=CH2O+CC6H11-B +1.138E+18 -1.750 +2305.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+OC7H13O-Q=CH2O+NEOC6H11 +2.715E+16 -0.990 +29510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+CC6H11-D=C3H4-P+IC3H7 +4.791E+12 +0.280 +28960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+DC6H11-D=C3H4-A+IC3H7 +2.693E+16 -0.890 +30540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+IC4H6OH+H2O=IC4H7OH+OH +5.875E+06 +1.927 +30240.0 ! *:_:* LLNL *:_:*
+ REV/ 3.120E+06 2.000 -2.980E+02 /
+IC4H6OH+CH4=IC4H7OH+CH3 +3.570E+02 +3.087 +22870.0 ! *:_:* LLNL *:_:*
+ REV/ 2.210E+00 3.500 5.675E+03 /
+IC4H6OH+C3H6=IC4H7OH+C3H5-A +2.508E+02 +3.168 +18640.0 ! *:_:* LLNL *:_:*
+ REV/ 5.750E+02 3.150 1.866E+04 /
+IC4H6OH+CH3CHO=IC4H7OH+CH3CO +1.357E+09 +1.400 +17940.0 ! *:_:* LLNL *:_:*
+ REV/ 5.300E+06 2.000 1.624E+04 /
+C3H5-A+CH2O=C3H6+HCO +6.300E+08 +1.900 +18190.0 ! *:_:* LLNL *:_:*
+ REV/ 9.165E+06 2.171 1.770E+04 /
+IC3H6CHCOCH3+OH=AC3H5CHCOCH3+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 1.339E+10 1.010 4.143E+04 /
+IC3H6CHCOCH3+OH=IC3H6CHCOCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.120E+07 -0.460 2.807E+04 /
+IC3H6CHCOCH3+OH=IC3H7CHO+CH3CO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.844E+06 1.020 1.555E+04 /
+IC3H6CHCOCH3+HO2=AC3H5CHCOCH3+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.423E+07 1.710 1.669E+04 /
+IC3H6CHCOCH3+HO2=IC3H6CHCOCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.695E+01 1.760 1.011E+04 /
+IC3H6CHCOCH3+CH3O2=AC3H5CHCOCH3+CH3O2H +5.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.067E+14 -1.020 1.239E+04 /
+IC3H6CHCOCH3+CH3O2=IC3H6CHCOCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 8.811E+09 -0.960 1.227E+04 /
+AC3H5CHCOCH3+HO2=IC3H5CHO+CH3CO+OH +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+IC3H6CHCOCH2=IC4H7+CH2CO +1.401E+14 -1.640 +50750.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.190E+04 /
+NC5H12=C5H11-1+H +1.375E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NC5H12=C5H11-2+H +3.325E+18 -0.763 +98800.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NC5H12=C5H11-3+H +1.602E+18 -0.758 +98790.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NC5H12=CH3+PC4H9 +6.101E+22 -1.862 +89430.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NC5H12=NC3H7+C2H5 +3.082E+24 -2.269 +88440.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NC5H12+H=C5H11-1+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.972E+01 3.386 8.610E+03 /
+NC5H12+H=C5H11-2+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.128E+01 3.439 9.236E+03 /
+NC5H12+H=C5H11-3+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.171E+01 3.434 9.244E+03 /
+NC5H12+OH=C5H11-1+H2O +1.054E+10 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.172E+07 1.500 1.881E+04 /
+NC5H12+OH=C5H11-2+H2O +9.340E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.297E+03 2.543 1.962E+04 /
+NC5H12+OH=C5H11-3+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.459E+03 2.538 1.963E+04 /
+NC5H12+O=C5H11-1+OH +2.092E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.139E+02 3.041 5.684E+03 /
+NC5H12+O=C5H11-2+OH +1.189E+06 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 2.678E+00 3.459 6.199E+03 /
+NC5H12+O=C5H11-3+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 2.779E+00 3.454 6.207E+03 /
+NC5H12+CH3=C5H11-1+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.653E-02 3.840 1.102E+04 /
+NC5H12+CH3=C5H11-2+CH4 +1.680E+05 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 6.650E+02 2.726 1.388E+04 /
+NC5H12+CH3=C5H11-3+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 6.901E+02 2.721 1.389E+04 /
+NC5H12+HO2=C5H11-1+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.477E+00 3.531 3.490E+03 /
+NC5H12+HO2=C5H11-2+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 3.173E-01 3.714 2.483E+03 /
+NC5H12+HO2=C5H11-3+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 3.293E-01 3.709 2.491E+03 /
+NC5H12+CH3O2=C5H11-1+CH3O2H +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 4.818E+01 3.086 1.895E+03 /
+NC5H12+CH3O2=C5H11-2+CH3O2H +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 6.173E+00 3.269 8.880E+02 /
+NC5H12+CH3O2=C5H11-3+CH3O2H +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 6.406E+00 3.264 8.960E+02 /
+NC5H12+C2H5=C5H11-1+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NC5H12+C2H5=C5H11-2+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C2H5=C5H11-3+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C2H3=C5H11-1+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NC5H12+C2H3=C5H11-2+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NC5H12+C2H3=C5H11-3+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NC5H12+C5H11-1=C5H11-2+NC5H12 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C5H11-1=C5H11-3+NC5H12 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C5H11-2=C5H11-3+NC5H12 +5.000E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.230E+04 /
+NC5H12+O2CHO=C5H11-1+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.368E+00 3.110 2.295E+03 /
+NC5H12+O2CHO=C5H11-2+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.306E+03 2.130 4.147E+03 /
+NC5H12+O2CHO=C5H11-3+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.318E+03 2.130 4.149E+03 /
+NC5H12+CH3O=C5H11-1+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NC5H12+CH3O=C5H11-2+CH3OH +2.200E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+09 0.000 7.200E+03 /
+NC5H12+CH3O=C5H11-3+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+09 0.000 7.200E+03 /
+NC5H12+O2=C5H11-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.311E+10 0.288 4.460E+02 /
+NC5H12+O2=C5H11-2+HO2 +2.800E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 6.370E+08 0.691 2.310E+02 /
+NC5H12+O2=C5H11-3+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 6.611E+08 0.686 2.390E+02 /
+C5H11-1=C2H4+NC3H7 +3.205E+12 +0.451 +29430.0 ! *:_:* LLNL *:_:*
+ REV/ 8.800E+03 2.480 6.130E+03 /
+C5H11-1=H+C5H10-1 +3.354E+11 +0.608 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+C5H11-1=C5H11-2 +3.875E+09 +0.353 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.602E+08 0.756 2.220E+04 /
+C5H11-2=C3H6+C2H5 +1.223E+12 +0.635 +29360.0 ! *:_:* LLNL *:_:*
+ REV/ 8.800E+03 2.480 6.130E+03 /
+C5H11-2=C5H10-1+H +2.353E+10 +1.011 +36680.0 ! *:_:* LLNL *:_:*
+ REV/ 4.240E+11 0.510 1.230E+03 /
+C5H11-2=C5H10-2+H +3.988E+11 +0.410 +35220.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+C5H11-3=C4H8-1+CH3 +6.343E+10 +1.119 +30460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.760E+04 2.480 6.130E+03 /
+C5H11-3=C5H10-2+H +8.277E+11 +0.405 +35230.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+C5H10-1=C2H5+C3H5-A +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+C5H10-2=CH3+C4H71-3 +1.000E+16 +0.000 +73000.0 ! *:_:* LLNL *:_:*
+C5H91-3+H=C5H10-1 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+H=C5H10-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+H=C5H10-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10-1+H=C5H91-3+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C5H10-1+H=C5H91-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C5H10-1+H=C5H91-5+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C5H10-1+O=C5H91-3+OH +6.600E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C5H10-1+O=C5H91-4+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C5H10-1+O=C5H91-5+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H91-3+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H91-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H91-5+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3=C5H91-3+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3=C5H91-4+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3=C5H91-5+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C5H10-1+O2=C5H91-3+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C5H10-1+O2=C5H91-4+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* LLNL *:_:*
+C5H10-1+O2=C5H91-5+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* LLNL *:_:*
+C5H10-1+HO2=C5H91-3+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-1+HO2=C5H91-4+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C5H10-1+HO2=C5H91-5+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O2=C5H91-3+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O2=C5H91-4+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O2=C5H91-5+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O=C5H91-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O=C5H91-4+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O=C5H91-5+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C5H10-2+H=C5H91-3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+C5H10-2+H=C5H92-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C5H10-2+H=C5H92-5+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C5H10-2+O=C5H91-3+OH +4.410E+05 +2.420 +3150.0 ! *:_:* LLNL *:_:*
+C5H10-2+O=C5H92-4+OH +9.900E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C5H10-2+O=C5H92-5+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H91-3+H2O +3.120E+06 +2.000 -1298.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H92-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H92-5+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3=C5H91-3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3=C5H92-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3=C5H92-5+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C5H10-2+O2=C5H91-3+HO2 +3.300E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+C5H10-2+O2=C5H92-4+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C5H10-2+O2=C5H92-5+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* LLNL *:_:*
+C5H10-2+HO2=C5H91-3+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* LLNL *:_:*
+C5H10-2+HO2=C5H92-4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-2+HO2=C5H92-5+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O2=C5H91-3+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O2=C5H92-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O2=C5H92-5+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O=C5H91-3+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O=C5H92-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O=C5H92-5+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C5H91-3+HO2=C5H9O1-3+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+CH3O2=C5H9O1-3+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+C2H5O2=C5H9O1-3+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+HO2=C5H9O2-4+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+CH3O2=C5H9O2-4+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+C2H5O2=C5H9O2-4+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H6+CH3=C5H91-3 +1.200E+11 +0.000 +7500.0 ! *:_:* LLNL *:_:*
+C3H6+C2H3=C5H91-4 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C2H4+C3H5-A=C5H91-5 +4.000E+11 +0.000 +13050.0 ! *:_:* LLNL *:_:*
+C3H5-T+C2H4=C5H92-5 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H91-3 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H91-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H92-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H9O1-3=C2H3CHO+C2H5 +3.131E+19 -1.850 +10670.0 ! *:_:* LLNL *:_:*
+C5H9O1-3=C2H5CHO+C2H3 +1.417E+18 -1.560 +23340.0 ! *:_:* LLNL *:_:*
+C5H9O2-4=CH3CHO+C3H5-S +1.073E+22 -2.660 +29650.0 ! *:_:* LLNL *:_:*
+C5H81-3+OH=CH2O+C4H71-3 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81-3+OH=C2H3CHO+C2H5 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81-3+OH=CH3CHO+C3H5-S +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H10OH-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10OH-1+O2=O2C5H10OH-1 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C5H10OH-1=NC3H7CHO+CH2O+OH +2.000E+12 +0.000 +26800.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H10OH-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10OH-2+O2=O2C5H10OH-2 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C5H10OH-2=C2H5CHO+CH3CHO+OH +2.000E+12 +0.000 +26800.0 ! *:_:* LLNL *:_:*
+C4H71-4+CH3=C5H10-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+O2=C5H92O2-1 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+O2=C5H91O2-3 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-4+O2=C5H91O2-4 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-5+O2=C5H91O2-5 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+O2=C5H92O2-4 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-5+O2=C5H92O2-5 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-5=C5H91-3 +3.800E+10 +0.700 +28400.0 ! *:_:* LLNL *:_:*
+C5H91O2-3=C5H81-3+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81-3+HO2 +5.040E+38 -8.110 +38500.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81-4+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C5H91O2-5=C5H81-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C5H92O2-4=C5H81-3+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C5H92O2-5=C5H81-3+HO2 +5.040E+38 -8.110 +38500.0 ! *:_:* LLNL *:_:*
+C5H91O2-3=C5H81OOH3-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C5H91O2-3=C5H81OOH3-5 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81OOH4-3 +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81OOH4-5 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C5H91O2-5=C5H81OOH5-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C5H91O2-5=C5H81OOH5-3 +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C5H92O2-5=C5H82OOH5-4 +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H92O2-4=C5H82OOH4-5 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=>CY3C5H8O+OH +4.850E+11 +0.000 +12700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=>CY3C5H8O+OH +4.850E+11 +0.000 +12700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H81OOH3-4 +1.000E+11 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H81OOH4-3 +1.000E+11 +0.000 +11000.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=C5H81OOH4-5 +2.000E+10 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=C5H81OOH5-4 +2.000E+10 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H82OOH4-5 +1.000E+11 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H81OOH5-4 +1.000E+11 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5=C2H4+C2H3CHO+OH +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3=CH3+C2H2+C2H3OOH +3.000E+13 +0.000 +37500.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5=C3H5-A+C2H3OOH +3.000E+13 +0.000 +25000.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3=C4H6+CH2O+OH +3.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5=C3H5-T+C2H3OOH +3.000E+13 +0.000 +37500.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-4+O2=C5H81OOH3-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5+O2=C5H81OOH3-5O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3+O2=C5H81OOH4-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5+O2=C5H81OOH4-5O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3+O2=C5H81OOH5-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-4+O2=C5H81OOH5-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5+O2=C5H82OOH4-5O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H82OOH5-4+O2=C5H82OOH5-4O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-4O2=>NC5D1KET34+OH +5.000E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5O2=>NC5D1KET35+OH +6.250E+09 +0.000 +14450.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3O2=>NC5D1KET43+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5O2=>NC5D1KET45+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3O2=>NC5D1KET53+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-4O2=>NC5D1KET54+OH +2.000E+11 +0.000 +26150.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5O2=>NC5D2KET45+OH +5.000E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C5H82OOH5-4O2=>NC5D2KET54+OH +2.000E+11 +0.000 +26150.0 ! *:_:* LLNL *:_:*
+NC5D1KET34=>OH+C2H3CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET35=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET43=>OH+C2H3CHO+CH3CO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET45=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET53=>OH+C2H3CHO+CH2CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET54=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D2KET45=>OH+AC3H5CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D2KET54=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-4=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5=>CY3C5H8O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3=>CY3C5H8O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3=>CY3C5H8O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-4=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C5H82OOH5-4=>CY3C5H8O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+O2+CY3C5H8O=>HO2+C2H3CHO+C2H3 +2.040E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+CY3C5H8O=>H2+C2H3CHO+C2H3 +2.570E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+CY3C5H8O=>H2O+C2H3CHO+C2H3 +4.790E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+CY3C5H8O=>OH+C2H3CHO+C2H3 +1.620E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+CY3C5H8O=>H2O2+C2H3CHO+C2H3 +6.460E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+CY3C5H8O=>CH2O+C2H3CHO+C2H3 +1.520E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+CY3C5H8O=>CH4+C2H3CHO+C2H3 +4.680E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+CY3C5H8O=>C2H6+C2H3CHO+C2H3 +2.760E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+CY3C5H8O=>CH3OH+C2H3CHO+C2H3 +5.140E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+CY3C5H8O=>CH3O2H+C2H3CHO+C2H3 +9.130E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H91-1 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C5H81-4+H=C5H91-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H81-3+O=>C4H71-3+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C5H81-4+O=>C4H71-4+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C5H81-4+OH=>C3H5-A+CH3CHO +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H11-1+O2=C5H10-1+HO2 +8.370E-01 +3.590 +11960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.307E+00 3.420 2.781E+04 /
+C5H11-2+O2=C5H10-1+HO2 +5.350E-01 +3.710 +9322.0 ! *:_:* LLNL *:_:*
+ REV/ 2.021E+01 3.137 2.274E+04 /
+C5H11-2+O2=C5H10-2+HO2 +1.070E+00 +3.710 +9322.0 ! *:_:* LLNL *:_:*
+ REV/ 1.406E+00 3.738 2.559E+04 /
+C5H11-3+O2=C5H10-2+HO2 +2.140E+00 +3.710 +9322.0 ! *:_:* LLNL *:_:*
+ REV/ 1.355E+00 3.743 2.558E+04 /
+C5H11-1+HO2=C5H11O-1+OH +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.944E+15 -0.479 2.621E+04 /
+C5H11-2+HO2=C5H11O-2+OH +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.143E+17 -1.132 2.822E+04 /
+C5H11-3+HO2=C5H11O-3+OH +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.019E+17 -1.127 2.821E+04 /
+C5H11-1+CH3O2=C5H11O-1+CH3O +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.216E+14 -0.180 3.045E+04 /
+C5H11-2+CH3O2=C5H11O-2+CH3O +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.966E+16 -0.833 3.246E+04 /
+C5H11-3+CH3O2=C5H11O-3+CH3O +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.889E+16 -0.828 3.245E+04 /
+C5H11O2-1+NC5H12=C5H11O2H-1+C5H11-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-2+NC5H12=C5H11O2H-2+C5H11-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-3+NC5H12=C5H11O2H-3+C5H11-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-1+NC5H12=C5H11O2H-1+C5H11-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-2+NC5H12=C5H11O2H-2+C5H11-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-3+NC5H12=C5H11O2H-3+C5H11-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-1+NC5H12=C5H11O2H-1+C5H11-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-2+NC5H12=C5H11O2H-2+C5H11-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-3+NC5H12=C5H11O2H-3+C5H11-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11-1+C5H11O2-1=2C5H11O-1 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.940E+13 -0.130 2.991E+04 /
+C5H11-1+C5H11O2-2=C5H11O-1+C5H11O-2 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.285E+13 -0.116 2.960E+04 /
+C5H11-1+C5H11O2-3=C5H11O-1+C5H11O-3 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.053E+14 -0.116 2.960E+04 /
+C5H11-2+C5H11O2-1=C5H11O-2+C5H11O-1 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.604E+15 -0.783 3.192E+04 /
+C5H11-2+C5H11O2-2=2C5H11O-2 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.544E+15 -0.769 3.162E+04 /
+C5H11-2+C5H11O2-3=C5H11O-2+C5H11O-3 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.703E+16 -0.769 3.162E+04 /
+C5H11-3+C5H11O2-1=C5H11O-3+C5H11O-1 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.225E+15 -0.778 3.192E+04 /
+C5H11-3+C5H11O2-2=C5H11O-3+C5H11O-2 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.206E+15 -0.764 3.161E+04 /
+C5H11-3+C5H11O2-3=2C5H11O-3 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.636E+16 -0.764 3.161E+04 /
+C5H11O2-1+C5H11O2-2=O2+C5H11O-1+C5H11O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H11O2-1+C5H11O2-3=O2+C5H11O-1+C5H11O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H11O2-1+CH3O2=O2+C5H11O-1+CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2C5H11O2-1=O2+2C5H11O-1 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H2O2+C5H11O2-1=HO2+C5H11O2H-1 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+C5H11O2-1+HO2=C5H11O2H-1+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.746E+13 -0.791 3.362E+04 /
+C5H11O2-2+CH3O2=O2+C5H11O-2+CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H11O2-2+C5H11O2-3=C5H11O-2+C5H11O-3+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2C5H11O2-2=O2+2C5H11O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H2O2+C5H11O2-2=HO2+C5H11O2H-2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+C5H11O2-2+HO2=C5H11O2H-2+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.380E+13 -0.812 3.364E+04 /
+C5H11O2-3+CH3O2=O2+C5H11O-3+CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2C5H11O2-3=O2+2C5H11O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H2O2+C5H11O2-3=HO2+C5H11O2H-3 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+C5H11O2-3+HO2=C5H11O2H-3+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.380E+13 -0.812 3.364E+04 /
+C5H11O2H-1=C5H11O-1+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.927E+07 1.932 -3.022E+03 /
+C5H11O2H-2=C5H11O-2+OH +9.450E+15 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.403E+07 1.968 -4.252E+03 /
+C5H11O2H-3=C5H11O-3+OH +9.450E+15 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.797E+07 1.968 -4.252E+03 /
+C5H11O-1=CH2O+PC4H9 +5.661E+20 -2.247 +24960.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.190E+04 /
+C5H11O-2=CH3CHO+NC3H7 +1.689E+22 -2.601 +19550.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 1.190E+04 /
+C5H11O-3=C2H5+C2H5CHO +1.239E+18 -1.199 +18590.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.000 1.190E+04 /
+C5H11O2-1=C5H11-1+O2 +2.338E+20 -1.620 +35830.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H11O2-2=C5H11-2+O2 +7.087E+22 -2.287 +38150.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H11O2-3=C5H11-3+O2 +3.415E+22 -2.282 +38150.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H11O2-1=C5H10OOH1-2 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.083E+10 -0.106 1.385E+04 /
+C5H11O2-1=C5H10OOH1-3 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.604E+09 -0.106 7.850E+03 /
+C5H11O2-1=C5H10OOH1-4 +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.255E+08 -0.106 6.050E+03 /
+C5H11O2-1=C5H10OOH1-5 +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.379E+09 -0.503 1.009E+04 /
+C5H11O2-2=C5H10OOH2-1 +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.790E+11 -0.517 1.396E+04 /
+C5H11O2-2=C5H10OOH2-3 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.698E+10 -0.140 1.390E+04 /
+C5H11O2-2=C5H10OOH2-4 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.372E+09 -0.140 7.900E+03 /
+C5H11O2-2=C5H10OOH2-5 +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.217E+10 -0.517 6.910E+03 /
+C5H11O2-3=C5H10OOH3-1 +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.948E+11 -0.517 8.960E+03 /
+C5H11O2-3=C5H10OOH3-2 +4.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.396E+10 -0.140 1.390E+04 /
+C5H11O2-1=C5H10-1+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.523E+31 -6.660 2.051E+04 /
+C5H11O2-2=C5H10-1+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.039E+34 -7.696 1.675E+04 /
+C5H11O2-2=C5H10-2+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.050E+28 -5.795 1.860E+04 /
+C5H11O2-3=C5H10-2+HO2 +1.009E+39 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+29 -5.795 1.860E+04 /
+C5H10OOH1-2=C5H10O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-3=C5H10O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-4=C5H10O1-4+OH +9.375E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-5=C5H10O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-1=C5H10O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-3=C5H10O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-4=C5H10O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-5=C5H10O1-4+OH +9.375E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH3-2=C5H10O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH3-1=C5H10O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+OH=CH2CO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+OH=C2H4+C2H5CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+OH=CH3COCH2+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+OH=CH2CH2CHO+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+OH=CH3CHCO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+OH=CH3CO+C3H6+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+OH=C2H3CHO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+OH=HCO+C4H8-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+OH=CH2CHO+C3H6+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+OH=CH2O+C4H71-3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+OH=C2H3COCH3+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+OH=CH3CHO+C3H5-S+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+HO2=CH2CO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+HO2=C2H4+C2H5CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+HO2=CH3COCH2+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+HO2=CH2CH2CHO+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+HO2=CH3CHCO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+HO2=CH3CO+C3H6+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+HO2=C2H3CHO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+HO2=HCO+C4H8-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+HO2=CH2CHO+C3H6+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+HO2=CH2O+C4H71-3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+HO2=C2H3COCH3+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+HO2=CH3CHO+C3H5-S+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-2=C5H10-1+HO2 +3.449E+17 -1.556 +17980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+C5H10OOH2-1=C5H10-1+HO2 +6.462E+19 -2.231 +21050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C5H10OOH2-3=C5H10-2+HO2 +9.651E+19 -2.455 +20680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C5H10OOH3-2=C5H10-2+HO2 +9.651E+19 -2.455 +20680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C5H10OOH1-3=OH+CH2O+C4H8-1 +8.283E+13 -0.170 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-4=OH+CH3CHO+C3H6 +8.312E+17 -1.400 +27170.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH3-1=OH+C2H5CHO+C2H4 +3.096E+18 -1.730 +26820.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-2O2=C5H10OOH1-2+O2 +8.039E+22 -2.295 +37970.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-3O2=C5H10OOH1-3+O2 +8.039E+22 -2.295 +37970.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-4O2=C5H10OOH1-4+O2 +8.039E+22 -2.295 +37970.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-5O2=C5H10OOH1-5+O2 +2.777E+20 -1.623 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH2-1O2=C5H10OOH2-1+O2 +2.572E+20 -1.620 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH2-3O2=C5H10OOH2-3+O2 +7.251E+22 -2.290 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH2-4O2=C5H10OOH2-4+O2 +7.251E+22 -2.290 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH2-5O2=C5H10OOH2-5+O2 +2.572E+20 -1.620 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH3-1O2=C5H10OOH3-1+O2 +2.572E+20 -1.620 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH3-2O2=C5H10OOH3-2+O2 +7.251E+22 -2.290 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-2O2=NC5KET12+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.780E+04 1.354 4.895E+04 /
+C5H10OOH1-3O2=NC5KET13+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.109E+03 1.533 4.474E+04 /
+C5H10OOH1-4O2=NC5KET14+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.386E+02 1.533 4.269E+04 /
+C5H10OOH1-5O2=NC5KET15+OH +3.907E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 2.011E+01 1.504 4.588E+04 /
+C5H10OOH2-1O2=NC5KET21+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.785E+02 1.883 5.005E+04 /
+C5H10OOH2-3O2=NC5KET23+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.346E+03 1.773 4.912E+04 /
+C5H10OOH2-4O2=NC5KET24+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.624E+01 1.946 4.391E+04 /
+C5H10OOH2-5O2=NC5KET25+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.716E+00 1.893 4.212E+04 /
+C5H10OOH3-1O2=NC5KET31+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 6.548E+01 1.882 4.422E+04 /
+C5H10OOH3-2O2=NC5KET32+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 9.884E+02 1.781 4.939E+04 /
+NC5KET12=NC3H7CHO+HCO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET13=C2H5CHO+CH2CHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET14=CH3CHO+CH2CH2CHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET15=CH2O+C3H6CHO-1+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET21=CH2O+NC3H7CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET23=C2H5CHO+CH3CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET24=CH3CHO+CH3COCH2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET25=CH2O+CH2CH2COCH3+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET31=CH2O+C2H5COCH2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET32=CH3CHO+C2H5CO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC6H14=C5H11-1+CH3 +1.608E+22 -1.610 +89350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.00 -5.960E+02 /
+NC6H14=2NC3H7 +2.169E+24 -2.190 +87840.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.00 -5.960E+02 /
+NC6H14=PC4H9+C2H5 +1.617E+24 -2.210 +88580.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.00 -5.960E+02 /
+NC6H14=C6H13-1+H +1.356E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.00 0.000E+00 /
+NC6H14=C6H13-2+H +2.088E+18 -0.700 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.00 0.000E+00 /
+NC6H14=C6H13-3+H +2.088E+18 -0.700 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.00 0.000E+00 /
+NC6H14+H=C6H13-1+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.998E+01 3.38 8.615E+03 /
+NC6H14+H=C6H13-2+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.795E+01 3.38 9.318E+03 /
+NC6H14+H=C6H13-3+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.795E+01 3.38 9.318E+03 /
+NC6H14+O=C6H13-1+OH +2.092E+06 +2.420 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.167E+02 3.04 5.689E+03 /
+NC6H14+O=C6H13-2+OH +1.189E+06 +2.440 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.308E+00 3.40 6.281E+03 /
+NC6H14+O=C6H13-3+OH +1.189E+06 +2.440 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.308E+00 3.40 6.281E+03 /
+NC6H14+OH=C6H13-1+H2O +2.570E+07 +1.800 +954.0 ! *:_:* LLNL *:_:*
+ REV/ 2.906E+04 2.33 1.818E+04 /
+NC6H14+OH=C6H13-2+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.599E+02 2.87 1.914E+04 /
+NC6H14+OH=C6H13-3+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.599E+02 2.87 1.914E+04 /
+NC6H14+CH3=C6H13-1+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.770E-02 3.84 1.103E+04 /
+NC6H14+CH3=C6H13-3+CH4 +1.680E+05 +2.130 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.058E+03 2.67 1.396E+04 /
+NC6H14+CH3=C6H13-2+CH4 +1.680E+05 +2.130 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.058E+03 2.67 1.396E+04 /
+NC6H14+HO2=C6H13-1+H2O2 +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.983E+03 2.44 3.025E+03 /
+NC6H14+HO2=C6H13-2+H2O2 +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.699E+02 2.78 3.709E+03 /
+NC6H14+HO2=C6H13-3+H2O2 +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.699E+02 2.78 3.709E+03 /
+NC6H14+CH3O=C6H13-1+CH3OH +3.160E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.00 9.200E+03 /
+NC6H14+CH3O=C6H13-2+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.00 7.200E+03 /
+NC6H14+CH3O=C6H13-3+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.00 7.200E+03 /
+NC6H14+O2=C6H13-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.342E+10 0.29 4.510E+02 /
+NC6H14+O2=C6H13-2+HO2 +2.800E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.014E+09 0.63 3.130E+02 /
+NC6H14+O2=C6H13-3+HO2 +2.800E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.014E+09 0.63 3.130E+02 /
+NC6H14+C2H5=C6H13-1+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.240E+11 0.00 1.230E+04 /
+NC6H14+C2H5=C6H13-2+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC6H14+C2H5=C6H13-3+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC6H14+C2H3=C6H13-1+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.00 2.540E+04 /
+NC6H14+C2H3=C6H13-2+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC6H14+C2H3=C6H13-3+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC6H14+CH3O2=C6H13-1+CH3O2H +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.695E+04 2.00 1.430E+03 /
+NC6H14+CH3O2=C6H13-2+CH3O2H +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.141E+03 2.34 2.114E+03 /
+NC6H14+CH3O2=C6H13-3+CH3O2H +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.141E+03 2.34 2.114E+03 /
+NC6H14+O2CHO=C6H13-1+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.692E+02 2.30 3.060E+03 /
+NC6H14+O2CHO=C6H13-2+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.464E+01 2.64 2.823E+03 /
+NC6H14+O2CHO=C6H13-3+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.464E+01 2.64 2.823E+03 /
+C6H13O2-1+NC6H14=C6H13O2H-1+C6H13-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-2+NC6H14=C6H13O2H-2+C6H13-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-3+NC6H14=C6H13O2H-3+C6H13-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-1+NC6H14=C6H13O2H-1+C6H13-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-2+NC6H14=C6H13O2H-2+C6H13-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-3+NC6H14=C6H13O2H-3+C6H13-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-1+NC6H14=C6H13O2H-1+C6H13-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-2+NC6H14=C6H13O2H-2+C6H13-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-3+NC6H14=C6H13O2H-3+C6H13-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC6H14+C6H13-1=NC6H14+C6H13-2 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC6H14+C6H13-1=NC6H14+C6H13-3 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC6H14+C6H13-2=NC6H14+C6H13-3 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+C6H13-1+HO2=C6H13O-1+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.266E+15 -0.56 2.615E+04 /
+C6H13-2+HO2=C6H13O-2+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.073E+17 -1.15 2.807E+04 /
+C6H13-3+HO2=C6H13O-3+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.073E+17 -1.15 2.807E+04 /
+C6H13-1+CH3O2=C6H13O-1+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.043E+14 -0.26 3.039E+04 /
+C6H13-2+CH3O2=C6H13O-2+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.922E+16 -0.85 3.231E+04 /
+C6H13-3+CH3O2=C6H13O-3+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.922E+16 -0.85 3.231E+04 /
+C6H13-1+O2=C6H12-1+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-2+O2=C6H12-1+HO2 +4.500E-19 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-2+O2=C6H12-2+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-3+O2=C6H12-2+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-3+O2=C6H12-3+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-1=C2H4+PC4H9 +6.391E+19 -1.970 +30640.0 ! *:_:* LLNL *:_:*
+ REV/ 3.300E+11 0.00 7.200E+03 /
+C6H13-1=C6H12-1+H +9.621E+13 -0.260 +36000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-2=C3H6+NC3H7 +1.827E+19 -1.800 +30170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 7.200E+03 /
+C6H13-2=C6H12-1+H +6.248E+12 +0.090 +36820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 1.200E+03 /
+C6H13-2=C6H12-2+H +1.271E+13 -0.090 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-3=C4H8-1+C2H5 +1.202E+19 -1.760 +30450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 7.200E+03 /
+C6H13-3=C5H10-1+CH3 +1.671E+16 -0.930 +31480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 7.200E+03 /
+C6H13-3=C6H12-2+H +1.271E+13 -0.090 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-3=C6H12-3+H +4.659E+12 -0.020 +35740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-1=C6H13-2 +5.478E+08 +1.620 +38760.0 ! *:_:* LLNL *:_:*
+ REV/ 3.558E+07 1.97 4.127E+04 /
+C6H13-1=C6H13-3 +1.495E+09 +0.970 +33760.0 ! *:_:* LLNL *:_:*
+ REV/ 9.709E+07 1.31 3.627E+04 /
+O2+C6H12-1=>CH2O+NC4H9CHO +1.000E+14 +0.000 +37000.0 ! *:_:* LLNL *:_:*
+C6H12-1=2C3H6 +4.000E+12 +0.000 +58000.0 ! *:_:* LLNL *:_:*
+C6H12-1=NC3H7+C3H5-A +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+C6H12-2=C2H5+C4H71-3 +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+C6H12-3=CH3+C5H91-3 +3.000E+16 +0.000 +72000.0 ! *:_:* LLNL *:_:*
+C6H111-3+H=C6H12-1 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-5+CH3=C6H12-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+PC4H9+C2H3=C6H12-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H71-4+C2H5=C6H12-1 +8.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+H=C6H12-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+H=C6H12-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-5+CH3=C6H12-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+NC3H7+C3H5-T=C6H12-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+H=C6H12-3 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H71-1+C2H5=C6H12-3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=>PC4H9+CH3CHO +1.000E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=>CH3+NC4H9CHO +5.000E+10 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=>C2H5CHO+NC3H7 +5.000E+10 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=>PC4H9+CH3CHO +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=NC3H7+CH3CHO +1.000E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=CH3+NC3H7CHO +1.000E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C5H11-1+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=PC4H9+CH3CO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-3+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-6+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-3+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-6+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-3+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-4+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-6+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-3+H2O2 +9.640E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-4+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-5+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-6+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-3+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-4+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-5+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-6+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-4+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-6+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H111-3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H112-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H112-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H112-6+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H111-3+H2O +3.120E+06 +2.000 -1298.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H112-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H112-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H112-6+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H111-3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H112-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H112-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H112-6+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H111-3+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H112-4+H2O2 +9.640E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H112-5+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H112-6+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H111-3+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H112-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H112-5+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H112-6+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H111-3+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H112-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H112-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H112-6+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C6H12-3+H=C6H113-1+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C6H12-3+H=C6H112-4+H2 +6.752E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=C6H113-1+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=C6H112-4+H2O +5.528E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3=C6H113-1+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3=C6H112-4+CH4 +7.380E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H12-3+HO2=C6H113-1+H2O2 +9.520E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C6H12-3+HO2=C6H112-4+H2O2 +1.928E+04 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O2=C6H113-1+CH3O2H +2.772E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O2=C6H112-4+CH3O2H +9.640E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O=C6H113-1+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O=C6H112-4+CH3OH +8.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C6H111-3+HO2=C6H11O1-3+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+CH3O2=C6H11O1-3+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+C2H5O2=C6H11O1-3+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-6=C6H111-3 +1.113E+12 +0.000 +31700.0 ! *:_:* LLNL *:_:*
+C6H112-4+HO2=C6H11O2-4+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+CH3O2=C6H11O2-4+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+C2H5O2=C6H11O2-4+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-3+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-4+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-5+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-6+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-3+OH +6.600E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-4+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-5+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-6+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H111-3+HO2 +5.500E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H112-4+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H112-5+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H112-6+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H111-3+OH +4.410E+05 +2.420 +3150.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H112-4+OH +6.600E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H112-5+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H112-6+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C6H12-3+O2=C6H112-4+HO2 +4.400E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C6H12-3+O2=C6H113-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+C6H12-3+O=C6H112-4+OH +1.320E+06 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C6H12-3+O=C6H113-1+OH +1.960E+06 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C2H5+C4H6=C6H111-3 +8.500E+10 +0.000 +8300.0 ! *:_:* LLNL *:_:*
+CH3+C5H81-4=C6H111-4 +1.000E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+C3H5-A+C3H6=C6H111-5 +4.000E+11 +0.000 +16900.0 ! *:_:* LLNL *:_:*
+C4H71-4+C2H4=C6H111-6 +8.500E+10 +0.000 +8300.0 ! *:_:* LLNL *:_:*
+CH3+C5H81-3=C6H112-4 +1.000E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+C3H5-T+C3H6=C6H112-5 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C4H71-3+C2H4=C6H112-6 +4.000E+11 +0.000 +16900.0 ! *:_:* LLNL *:_:*
+C4H71-1+C2H4=C6H113-1 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C6H111-6=C6H111-4 +3.800E+10 +0.670 +36000.0 ! *:_:* LLNL *:_:*
+C6H111-6=C6H111-5 +3.560E+10 +0.880 +37300.0 ! *:_:* LLNL *:_:*
+C6H112-6=C6H112-4 +3.800E+10 +0.670 +28400.0 ! *:_:* LLNL *:_:*
+C6H112-6=C6H112-5 +3.560E+10 +0.880 +37300.0 ! *:_:* LLNL *:_:*
+C6H113-1=C6H112-4 +3.560E+10 +0.880 +29600.0 ! *:_:* LLNL *:_:*
+C6H111-3+O2=C6H112O2-1 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+O2=C6H111O2-3 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-4+O2=C6H111O2-4 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-5+O2=C6H111O2-5 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-6+O2=C6H111O2-6 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+O2=C6H113O2-2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+O2=C6H112O2-4 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-5+O2=C6H112O2-5 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-6+O2=C6H112O2-6 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H113-1+O2=C6H113O2-1 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=>C6H101-3+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=>C6H101-3+HO2 +5.040E+38 -8.110 +38500.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=>C6H101-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=>C6H101-5+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=>C6H101-5+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C6H112O2-4=>C6H102-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H112O2-5=>C6H102-4+HO2 +5.040E+38 -8.110 +37500.0 ! *:_:* LLNL *:_:*
+C6H112O2-6=>C6H101-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H113O2-2=>C6H101-3+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C6H113O2-1=>C6H101-3+HO2 +5.040E+38 -8.110 +37500.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=C6H101OOH3-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=C6H101OOH3-5 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=C6H101OOH3-6 +9.376E+09 +0.000 +21950.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=C6H101OOH4-3 +2.000E+11 +0.000 +24450.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=C6H101OOH4-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=C6H101OOH4-6 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=C6H101OOH5-3 +2.500E+10 +0.000 +18450.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=C6H101OOH5-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=C6H101OOH5-6 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=C6H101OOH6-3 +3.125E+09 +0.000 +16650.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=C6H101OOH6-4 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=C6H101OOH6-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H112O2-4=C6H102OOH4-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H112O2-4=C6H102OOH4-6 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C6H112O2-5=C6H102OOH5-4 +2.000E+11 +0.000 +24450.0 ! *:_:* LLNL *:_:*
+C6H112O2-5=C6H102OOH5-6 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C6H112O2-6=C6H102OOH6-4 +2.500E+10 +0.000 +18450.0 ! *:_:* LLNL *:_:*
+C6H112O2-6=C6H102OOH6-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H113O2-1=C6H103OOH1-2 +2.000E+11 +0.000 +24450.0 ! *:_:* LLNL *:_:*
+C6H113O2-2=C6H103OOH2-1 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5=>MVOX+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4=>VTHF+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3=>EDHF+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3=>MVOX+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3=>VTHF+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-4=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H103OOH1-2=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H101OOH3-4 +4.850E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H101OOH4-3 +4.850E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H101OOH4-5 +3.400E+11 +0.000 +11800.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H101OOH5-4 +3.400E+11 +0.000 +11800.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-5=C6H101OOH5-6 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-5=C6H101OOH6-5 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H102-4=C6H102OOH4-5 +3.800E+11 +0.000 +8800.0 ! *:_:* LLNL *:_:*
+HO2+C6H102-4=C6H102OOH5-4 +3.800E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H102OOH5-6 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H102OOH6-5 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H103OOH2-1 +4.850E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H103OOH1-2 +4.850E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+C6H12OOH1-2=C6H12-1+HO2 +1.018E+19 -2.020 +19720.0 ! *:_:* LLNL *:_:*
+C6H12OOH2-1=C6H12-1+HO2 +3.701E+21 -2.690 +22030.0 ! *:_:* LLNL *:_:*
+C6H12OOH2-3=C6H12-2+HO2 +3.663E+20 -2.480 +21640.0 ! *:_:* LLNL *:_:*
+C6H12OOH3-2=C6H12-2+HO2 +3.663E+20 -2.480 +21640.0 ! *:_:* LLNL *:_:*
+C6H12OOH3-4=C6H12-3+HO2 +2.682E+20 -2.410 +21730.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4=>CH3+AC3H5OOH+C2H2 +3.000E+13 +0.000 +33500.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5=>OH+C3H6+C2H3CHO +3.000E+13 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6=>HO2+C4H6+C2H4 +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3=>C2H5+CH3O2H+C3H2 +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5=>C3H5-A+AC3H5OOH +3.000E+13 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6=>OH+C2H3COCH3+C2H4 +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3=>OH+C4H6+CH3CHO +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4=>CH3+CH3O2H+2C2H2 +3.000E+13 +0.000 +33500.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6=>C4H71-4+C2H3OOH +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3=>HO2+C4H6+C2H4 +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4=>OH+C5H81-4+CH2O +3.000E+13 +0.000 +29500.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5=>C3H5-A+AC3H5OOH +3.000E+13 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6=>OH+C2H3COCH3+C2H4 +3.000E+13 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6=>C4H71-3+CH2CHO+OH +3.000E+13 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4=>OH+C5H81-3+CH2O +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5=>C3H5-T+AC3H5OOH +3.000E+13 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1=>C4H71-4+CH2CHO+OH +3.000E+13 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4+O2=C6H101OOH3-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5+O2=C6H101OOH3-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6+O2=C6H101OOH3-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3+O2=C6H101OOH4-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5+O2=C6H101OOH4-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6+O2=C6H101OOH4-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3+O2=C6H101OOH5-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4+O2=C6H101OOH5-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6+O2=C6H101OOH5-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3+O2=C6H101OOH6-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4+O2=C6H101OOH6-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5+O2=C6H101OOH6-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-5+O2=C6H102OOH4-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6+O2=C6H102OOH4-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-4+O2=C6H102OOH5-4O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6+O2=C6H102OOH5-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4+O2=C6H102OOH6-4O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5+O2=C6H102OOH6-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1+O2=C6H103OOH2-1O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H103OOH1-2+O2=C6H103OOH1-2O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4O2=>NC6D1KET34+OH +1.000E+11 +0.000 +21450.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5O2=>NC6D1KET35+OH +1.250E+10 +0.000 +15450.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6O2=>NC6D1KET36+OH +1.563E+09 +0.000 +13650.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3O2=>NC6D1KET43+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5O2=>NC6D1KET45+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6O2=>NC6D1KET46+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3O2=>NC6D1KET53+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4O2=>NC6D1KET54+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6O2=>NC6D1KET56+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3O2=>NC6D1KET63+OH +3.120E+09 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4O2=>NC6D1KET64+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5O2=>NC6D1KET65+OH +2.000E+11 +0.000 +26150.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-5O2=>NC6D2KET45+OH +1.000E+11 +0.000 +21450.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6O2=>NC6D2KET46+OH +1.250E+10 +0.000 +15450.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-4O2=>NC6D2KET54+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6O2=>NC6D2KET56+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4O2=>NC6D2KET64+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5O2=>NC6D2KET65+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1O2=>NC6D3KET21+OH +1.000E+11 +0.000 +21450.0 ! *:_:* LLNL *:_:*
+C6H103OOH1-2O2=>NC6D3KET12+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+NC6D1KET34=>OH+C2H3+CO+C2H5CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET35=>OH+CH2CHO+C2H3COCH3 +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET35=>OH+CH3+CO+C2H3COCH3 +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET36=>OH+C2H3+CO+CH2O+C2H4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET43=>OH+C3H5O+C2H3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET45=>OH+C2H3+CH3CHO+CH2CO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET46=>OH+C3H5-A+CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET53=>OH+C2H5CO+C2H3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET54=>OH+C3H5-A+CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET56=>OH+C3H5-A+CH2CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET63=>OH+C2H3CHO+HCO+C2H4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET64=>OH+C3H5-A+CH3CHO+CO +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET64=>OH+CH2CHO+AC3H5CHO +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET65=>OH+HCO+CH2CO+C3H6 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET45=>OH+C3H5-T+CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET46=>OH+C3H5-T+CH2CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET54=>OH+CH2CHO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET56=>OH+C3H5-T+CH2O+CH2CO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET64=>OH+CH2CHO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET65=>OH+C4H71-3+CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D3KET21=>OH+C4H71-4+CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D3KET12=>OH+HCO+C4H7CHO1-4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H12OH-1=>CH3CHO+PC4H9 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-1=>C2H5CHO+NC3H7 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-2=>NC3H7CHO+C2H5 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-2=>NC4H9CHO+CH3 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-3=>NC3H7CHO+C2H5 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12-3+O=NC3H7+C2H5CO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H111-4+HO2=C6H111O2H-4 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-5+HO2=C6H111O2H-5 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-6+HO2=C6H111O2H-6 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-5+HO2=C6H112O2H-5 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-6+HO2=C6H112O2H-6 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+HO2=C6H113O2H-2 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+HO2=C6H112O2H-4 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H113-1+HO2=C6H113O2H-1 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112O2-1=>C2H3COC3H7+OH +4.000E+12 +0.000 +38000.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=>C2H3COC3H7+OH +4.000E+12 +0.000 +38000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6=>C2H3COC3H7+OH +1.000E+11 +0.000 +16700.0 ! *:_:* LLNL *:_:*
+C6H111O2H-4=>OH+C2H5CHO+C3H5-A +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H111O2H-5=>OH+CH3CHO+C4H71-4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H111O2H-6=>OH+CH2O+C5H91-5 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H112O2H-4=>OH+C2H3COCH3+C2H5 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H112O2H-5=>OH+CH3CHO+C4H71-3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H112O2H-6=>OH+CH2O+C5H91-5 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H113O2H-2=>OH+CH3CHO+C4H71-4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H113O2H-1=>OH+CH2O+C5H91-3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+O2+ETES1=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+ETES1=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+ETES1=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+ETES1=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+ETES1=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+ETES1=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+ETES1=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+ETES1=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+ETES1=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+ETES1=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+O2+MVOX=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+MVOX=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+MVOX=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+MVOX=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+MVOX=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+MVOX=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+MVOX=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+MVOX=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O2+MVOX=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C2H3+MVOX=>C2H4+C2H3COCH3+C2H3 +8.139E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+CH3O+MVOX=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+O2+VTHF=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+VTHF=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+VTHF=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+VTHF=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+VTHF=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+VTHF=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+VTHF=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+VTHF=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+VTHF=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+VTHF=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C2H3+VTHF=>C2H4+C2H3COCH3+C2H3 +8.139E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+O2+EDHF=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+EDHF=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+EDHF=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+EDHF=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+EDHF=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+EDHF=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+EDHF=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+EDHF=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+C2H3+EDHF=>C2H4+C2H3COCH3+C2H3 +8.139E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+CH3O2+EDHF=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3O+EDHF=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+O2+C5H81-4=>HO2+C3H5-A+C2H2 +5.111E+06 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+C5H81-4=>H2+C3H5-A+C2H2 +6.435E+06 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+C5H81-4=>H2O+C3H5-A+C2H2 +1.198E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+C5H81-4=>OH+C3H5-A+C2H2 +4.060E+06 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=>H2O2+C3H5-A+C2H2 +1.616E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+C5H81-4=>CH2O+C3H5-A+C2H2 +3.789E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+C5H81-4=>CH4+C3H5-A+C2H2 +1.171E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+C5H81-4=>C2H6+C3H5-A+C2H2 +6.895E+04 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+C5H81-4=>CH3OH+C3H5-A+C2H2 +1.284E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+C5H81-4=>CH3O2H+C3H5-A+C2H2 +2.283E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C2H3+C5H81-4=>C2H4+C3H5-A+C2H2 +2.035E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H111-3 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H111-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H113-1 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H112-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H111-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H111-5 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H112-5 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H112-6 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-5+H=C6H111-5 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C6H101-5+H=C6H111-6 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-3+O=>C5H91-3+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H101-4+O=>C5H92-5+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H101-5+O=>C5H91-5+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H101-3+OH=>C5H91-3+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101-4+OH=>C5H92-5+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101-5+OH=>C5H91-5+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101-3+OH=>C2H3+C4H6+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H101-4+OH=>C2H3+C4H6+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H101-5+OH=>C2H3+C4H6+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H101-3+HO2=>C2H3+C4H6+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H101-4+HO2=>C2H3+C4H6+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H101-5+HO2=>C2H3+C4H6+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=>C2H3+C4H6+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=>C2H3+C4H6+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H101-5+H=>C2H3+C4H6+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H12OH-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12OH-1+O2=O2C6H12OH-1 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H12OH-1=NC4H9CHO+CH2O+OH +1.000E+12 +0.000 +27800.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H12OH-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12OH-2+O2=O2C6H12OH-2 +7.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H12OH-2=NC3H7CHO+CH3CHO+OH +1.000E+12 +0.000 +27800.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=C6H12OH-3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12OH-3+O2=O2C6H12OH-3 +7.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H12OH-3=OH+2C2H5CHO +2.000E+12 +0.000 +26800.0 ! *:_:* LLNL *:_:*
+C6H111-3+C6H12-2=C6H12-2+C6H112-4 +7.900E+10 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+C6H11O1-3=C2H3CHO+NC3H7 +1.427E+20 -2.040 +11230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-3=NC3H7CHO+C2H3 +2.400E+18 -1.630 +23410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O2-4=SC3H5CHO+C2H5 +5.449E+19 -1.920 +10760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O2-4=C2H5CHO+C3H5-S +2.346E+22 -2.580 +29310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H13O2-1=C6H13-1+O2 +5.150E+20 -1.710 +35790.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H13O2-2=C6H13-2+O2 +2.180E+23 -2.330 +38040.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H13O2-3=C6H13-3+O2 +2.180E+23 -2.330 +38040.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H13-1+C6H13O2-1=2C6H13O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.781E+13 -0.21 2.984E+04 /
+C6H13-1+C6H13O2-2=C6H13O-1+C6H13O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.628E+13 -0.17 2.950E+04 /
+C6H13-1+C6H13O2-3=C6H13O-1+C6H13O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.628E+13 -0.17 2.950E+04 /
+C6H13-2+C6H13O2-1=C6H13O-2+C6H13O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.205E+15 -0.79 3.176E+04 /
+C6H13-2+C6H13O2-2=2C6H13O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13-2+C6H13O2-3=C6H13O-2+C6H13O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13-3+C6H13O2-1=C6H13O-3+C6H13O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.205E+15 -0.79 3.176E+04 /
+C6H13-3+C6H13O2-2=C6H13O-3+C6H13O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13-3+C6H13O2-3=2C6H13O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13O2-1=C6H12-1+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.638E+29 -6.22 2.047E+04 /
+C6H13O2-2=C6H12-1+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.885E+32 -7.24 1.670E+04 /
+C6H13O2-2=C6H12-2+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.876E+28 -5.77 1.857E+04 /
+C6H13O2-3=C6H12-3+HO2 +1.009E+39 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.569E+29 -5.83 1.848E+04 /
+C6H13O2-1=C6H12OOH1-2 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.402E+10 -0.12 1.386E+04 /
+C6H13O2-1=C6H12OOH1-3 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.003E+09 -0.12 7.860E+03 /
+C6H13O2-1=C6H12OOH1-4 +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.754E+08 -0.12 6.060E+03 /
+C6H13O2-1=C6H12OOH1-5 +3.906E+08 +0.000 +22050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.692E+07 -0.12 9.060E+03 /
+C6H13O2-2=C6H12OOH2-1 +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.948E+11 -0.52 1.395E+04 /
+C6H13O2-2=C6H12OOH2-3 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.578E+10 -0.13 1.388E+04 /
+C6H13O2-2=C6H12OOH2-4 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.223E+09 -0.13 7.880E+03 /
+C6H13O2-2=C6H12OOH2-5 +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.028E+08 -0.13 6.080E+03 /
+C6H13O2-2=C6H12OOH2-6 +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.553E+09 -0.52 1.010E+04 /
+C6H13O2-3=C6H12OOH3-1 +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.935E+10 -0.52 8.950E+03 /
+C6H13O2-3=C6H12OOH3-2 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.578E+10 -0.13 1.388E+04 /
+C6H13O2-3=C6H12OOH3-4 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.578E+10 -0.13 1.388E+04 /
+C6H13O2-3=C6H12OOH3-5 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.223E+09 -0.13 7.880E+03 /
+C6H13O2-3=C6H12OOH3-6 +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.242E+10 -0.52 6.900E+03 /
+C6H13O2-1+HO2=C6H13O2H-1+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.538E+13 -0.78 3.360E+04 /
+C6H13O2-2+HO2=C6H13O2H-2+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.447E+13 -0.81 3.364E+04 /
+C6H13O2-3+HO2=C6H13O2H-3+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.447E+13 -0.81 3.364E+04 /
+C6H13O2-1+H2O2=C6H13O2H-1+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C6H13O2-2+H2O2=C6H13O2H-2+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C6H13O2-3+H2O2=C6H13O2H-3+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C6H13O2-1+CH3O2=C6H13O-1+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-2+CH3O2=C6H13O-2+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-3+CH3O2=C6H13O-3+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C6H13O2-1=O2+2C6H13O-1 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-1+C6H13O2-2=O2+C6H13O-1+C6H13O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-1+C6H13O2-3=O2+C6H13O-1+C6H13O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C6H13O2-2=O2+2C6H13O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-2+C6H13O2-3=O2+C6H13O-2+C6H13O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C6H13O2-3=O2+2C6H13O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2H-1=C6H13O-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.025E+07 1.93 -6.512E+03 /
+C6H13O2H-2=C6H13O-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.977E+06 2.00 -6.892E+03 /
+C6H13O2H-3=C6H13O-3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.977E+06 2.00 -6.892E+03 /
+C6H13O-1=C5H11-1+CH2O +5.226E+20 -2.080 +24830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C6H13O-2=PC4H9+CH3CHO +2.365E+22 -2.610 +19620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C6H13O-3=C2H5CHO+NC3H7 +8.045E+17 -1.170 +18170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C6H12OOH1-2=C6H12O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-3=C6H12O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-4=C6H12O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-5=C6H12O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-1=C6H12O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-3=C6H12O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-4=C6H12O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-5=C6H12O2-5+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-6=C6H12O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-2=C6H12O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-4=C6H12O3-4+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-1=C6H12O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-5=C6H12O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-6=C6H12O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-3=OH+CH2O+C5H10-1 +7.703E+13 -0.160 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-4=OH+CH3CHO+C4H8-1 +2.933E+18 -1.700 +24080.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-5=OH+C2H5CHO+C3H6 +1.171E+17 -1.310 +28880.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-1=OH+CH3CHO+2C2H4 +7.326E+18 -1.740 +27420.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-2O2=C6H12OOH1-2+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH1-3O2=C6H12OOH1-3+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH1-4O2=C6H12OOH1-4+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH1-5O2=C6H12OOH1-5+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-1O2=C6H12OOH2-1+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH2-3O2=C6H12OOH2-3+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-4O2=C6H12OOH2-4+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-5O2=C6H12OOH2-5+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-6O2=C6H12OOH2-6+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH3-1O2=C6H12OOH3-1+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH3-2O2=C6H12OOH3-2+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH3-4O2=C6H12OOH3-4+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH3-5O2=C6H12OOH3-5+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH3-6O2=C6H12OOH3-6+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH1-2O2=NC6KET12+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.607E-12 6.14 3.970E+04 /
+C6H12OOH1-3O2=NC6KET13+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.825E+02 1.56 4.471E+04 /
+C6H12OOH1-4O2=NC6KET14+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.103E+02 1.56 4.266E+04 /
+C6H12OOH1-5O2=NC6KET15+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.379E+01 1.56 4.586E+04 /
+C6H12OOH2-1O2=NC6KET21+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.253E+02 1.91 5.003E+04 /
+C6H12OOH2-3O2=NC6KET23+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.156E+03 1.79 4.909E+04 /
+C6H12OOH2-4O2=NC6KET24+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 4.618E+01 1.97 4.388E+04 /
+C6H12OOH2-5O2=NC6KET25+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.774E+00 1.97 4.208E+04 /
+C6H12OOH2-6O2=NC6KET26+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.939E+00 1.92 4.859E+04 /
+C6H12OOH3-1O2=NC6KET31+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.308E+01 1.91 4.419E+04 /
+C6H12OOH3-2O2=NC6KET32+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 7.384E+02 1.82 4.935E+04 /
+C6H12OOH3-4O2=NC6KET34+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 7.384E+02 1.82 4.935E+04 /
+C6H12OOH3-5O2=NC6KET35+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.503E+01 1.98 4.416E+04 /
+C6H12OOH3-6O2=NC6KET36+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 6.638E+00 1.91 4.239E+04 /
+NC6KET12=NC4H9CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET13=NC3H7CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET14=C2H5CHO+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET15=CH3CHO+C3H6CHO-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET21=CH2O+NC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET23=NC3H7CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET24=C2H5CHO+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET25=CH3CHO+CH2CH2COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET26=CH2O+C3H6COCH3-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET31=CH2O+NC3H7COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET32=CH3CHO+NC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET34=C2H5CHO+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET35=CH3CHO+C2H5COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET36=CH2O+C2H5COC2H4P+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+OH=C2H3CHO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+OH=C5H10-1+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+OH=C4H8-1+CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+OH=C3H6+CH2CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+OH=C2H3COCH3+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+OH=C4H8-1+CH3CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+OH=C3H6+CH3COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+OH=C2H5COC2H3+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+OH=CH2CO+PC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+OH=C2H4+NC3H7CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+OH=C2H4+C2H5COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+OH=C2H4+CH2CH2COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+OH=CH3CHCO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+OH=C3H6+C2H5CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+OH=CH3CHO+C4H71-3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+OH=C2H5CHO+C3H5-S+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+HO2=C2H3CHO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+HO2=C5H10-1+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+HO2=C4H8-1+CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+HO2=C3H6+CH2CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+HO2=C2H3COCH3+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+HO2=C4H8-1+CH3CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+HO2=C3H6+CH3COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+HO2=C2H5COC2H3+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+HO2=CH2CO+PC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+HO2=C2H4+NC3H7CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+HO2=C2H4+C2H5COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+HO2=C2H4+CH2CH2COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+HO2=CH3CHCO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+HO2=C3H6+C2H5CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+HO2=CH3CHO+C4H71-3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+HO2=C2H5CHO+C3H5-S+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC4H9CHO+O2=NC4H9CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+07 0.00 4.000E+04 /
+NC4H9CHO+OH=NC4H9CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 2.143E+10 0.73 3.124E+04 /
+NC4H9CHO+H=NC4H9CO+H2 +4.000E+13 +0.000 +4200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.800E+13 0.00 2.400E+04 /
+NC4H9CHO+O=NC4H9CO+OH +5.000E+12 +0.000 +1790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.900E+04 /
+NC4H9CHO+HO2=NC4H9CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.000E+04 /
+NC4H9CHO+CH3=NC4H9CO+CH4 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+13 0.00 2.800E+04 /
+NC4H9CHO+CH3O=NC4H9CO+CH3OH +1.150E+11 +0.000 +1280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.00 1.800E+04 /
+NC4H9CHO+CH3O2=NC4H9CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.00 1.000E+04 /
+NC4H9CHO+OH=C4H8CHO-1+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.233E+09 0.95 2.104E+04 /
+NC4H9CHO+OH=C4H8CHO-2+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.837E+05 1.93 2.192E+04 /
+NC4H9CHO+OH=C4H8CHO-3+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.837E+05 1.93 2.192E+04 /
+NC4H9CHO+OH=C4H8CHO-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.202E+09 1.34 2.887E+04 /
+NC4H9CO=PC4H9+CO +1.000E+11 +0.000 +9600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 0.000E+00 /
+C4H8CHO-1=C2H4+CH2CH2CHO +5.984E+18 -1.600 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+C4H8CHO-2=C3H6+CH2CHO +2.984E+14 -0.760 +23320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H8CHO-3=C4H8-1+HCO +4.797E+14 -0.720 +24350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H8CHO-3=AC3H5CHO+CH3 +3.643E+13 -0.360 +30330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H8CHO-4=C2H3CHO+C2H5 +1.863E+18 -1.300 +30830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+AC3H5CHO=C3H5-A+HCO +1.813E+19 -1.080 +68480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+AC3H5CHO+OH=AC3H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.741E+10 0.76 3.120E+04 /
+AC3H5CHO+OH=C2H3CHCHO+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.246E+08 1.79 3.493E+04 /
+AC3H5CHO+HO2=AC3H5CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.152E+13 -0.33 1.199E+04 /
+AC3H5CHO+HO2=C2H3CHCHO+H2O2 +9.630E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.283E+06 2.06 1.767E+04 /
+AC3H5CHO+CH3O2=AC3H5CO+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.579E+13 -0.51 1.127E+04 /
+AC3H5CHO+CH3O2=C2H3CHCHO+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.939E+15 -0.72 2.009E+04 /
+AC3H5CO=C3H5-A+CO +6.199E+15 -1.090 -330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 4.810E+03 /
+C2H3CHCHO+HO2=>C2H3CHO+HCO+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+NC3H7COCH3+OH=C3H6COCH3-1+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 3.604E+06 1.75 2.017E+04 /
+NC3H7COCH3+OH=C3H6COCH3-2+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 3.668E+05 2.01 2.166E+04 /
+NC3H7COCH3+OH=C3H6COCH3-3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 2.368E+13 -0.28 2.870E+04 /
+NC3H7COCH3+OH=NC3H7COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 9.286E+13 -0.74 2.773E+04 /
+NC3H7COCH3+HO2=C3H6COCH3-1+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.465E+04 2.24 4.442E+03 /
+NC3H7COCH3+HO2=C3H6COCH3-2+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.373E+11 0.05 8.142E+03 /
+NC3H7COCH3+HO2=C3H6COCH3-3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 3.327E+13 -0.60 6.160E+03 /
+NC3H7COCH3+HO2=NC3H7COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.572E+07 1.48 9.762E+03 /
+NC3H7COCH3+CH3O2=C3H6COCH3-1+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.281E+13 -0.49 6.607E+03 /
+NC3H7COCH3+CH3O2=C3H6COCH3-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.926E+11 -0.13 6.774E+03 /
+NC3H7COCH3+CH3O2=C3H6COCH3-3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.367E+15 -0.78 1.199E+04 /
+NC3H7COCH3+CH3O2=NC3H7COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.337E+16 -1.25 1.193E+04 /
+C3H6COCH3-1=C2H4+CH3COCH2 +2.904E+16 -1.210 +27000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.600E+03 /
+C3H6COCH3-2=C3H6+CH3CO +2.719E+16 -1.050 +25590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C3H6COCH3-3=C2H3COCH3+CH3 +9.615E+15 -0.750 +32390.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+NC3H7COCH2=NC3H7+CH2CO +1.226E+18 -1.400 +43450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.160E+04 /
+C2H5COC2H5+OH=C2H5COC2H4P+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.194E+09 0.95 2.103E+04 /
+C2H5COC2H5+OH=C2H5COC2H4S+H2O +1.690E+12 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 3.296E+13 -0.32 2.874E+04 /
+C2H5COC2H5+HO2=C2H5COC2H4P+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.201E+04 2.20 4.472E+03 /
+C2H5COC2H5+HO2=C2H5COC2H4S+H2O2 +4.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 4.631E+13 -0.65 6.200E+03 /
+C2H5COC2H5+O2=C2H5COC2H4P+HO2 +4.100E+13 +0.000 +51310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.949E+10 0.31 -1.882E+03 /
+C2H5COC2H5+O2=C2H5COC2H4S+HO2 +3.100E+13 +0.000 +41970.0 ! *:_:* LLNL *:_:*
+ REV/ 2.537E+12 0.00 -1.702E+03 /
+C2H5COC2H5+H=C2H5COC2H4P+H2 +1.832E+07 +2.000 +7700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.794E+05 1.98 1.199E+04 /
+C2H5COC2H5+H=C2H5COC2H4S+H2 +8.960E+06 +2.000 +3200.0 ! *:_:* LLNL *:_:*
+ REV/ 4.036E+07 1.68 1.701E+04 /
+C2H5COC2H5+C2H3=C2H5COC2H4P+C2H4 +1.000E+12 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.850E+08 0.81 1.404E+04 /
+C2H5COC2H5+C2H3=C2H5COC2H4S+C2H4 +6.000E+11 +0.000 +5600.0 ! *:_:* LLNL *:_:*
+ REV/ 3.976E+10 0.50 1.876E+04 /
+C2H5COC2H5+C2H5=C2H5COC2H4P+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.070E+13 -0.58 1.400E+04 /
+C2H5COC2H5+C2H5=C2H5COC2H4S+C2H6 +6.000E+10 +0.000 +8600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.105E+15 -0.89 1.872E+04 /
+C2H5COC2H5+CH3O=C2H5COC2H4P+CH3OH +4.340E+11 +0.000 +6460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.475E+09 0.00 9.020E+03 /
+C2H5COC2H5+CH3O=C2H5COC2H4S+CH3OH +2.900E+11 +0.000 +2771.0 ! *:_:* LLNL *:_:*
+ REV/ 6.298E+11 -0.30 1.485E+04 /
+C2H5COC2H5+CH3O2=C2H5COC2H4P+CH3O2H +6.020E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.664E+13 -0.52 6.642E+03 /
+C2H5COC2H5+CH3O2=C2H5COC2H4S+CH3O2H +4.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.903E+15 -0.83 1.203E+04 /
+C2H5COC2H4P=C2H5CO+C2H4 +1.769E+17 -1.460 +29540.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.130E+04 /
+C2H5COC2H4S=C2H5COC2H3+H +8.704E+16 -0.820 +42130.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+13 0.00 1.560E+03 /
+C2H5COC2H3+OH=C2H5COCH2+CH2O +1.000E+10 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.673E+11 -0.39 1.822E+04 /
+C2H5COC2H3+OH=PC2H4COC2H3+H2O +7.550E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.285E+08 2.53 2.021E+04 /
+C2H5COC2H3+OH=SC2H4COC2H3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.350E+13 -0.20 2.860E+04 /
+C2H5COC2H3+HO2=C2H5CO+CH2CHO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.00 0.000E+00 /
+C2H5COC2H3+HO2=PC2H4COC2H3+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.405E+03 3.78 3.652E+03 /
+C2H5COC2H3+HO2=SC2H4COC2H3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 1.896E+13 -0.53 6.065E+03 /
+C2H5COC2H3+CH3O2=C2H5CO+CH2CHO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.00 0.000E+00 /
+C2H5COC2H3+CH3O2=PC2H4COC2H3+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+12 1.06 5.822E+03 /
+C2H5COC2H3+CH3O2=SC2H4COC2H3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 7.793E+14 -0.71 1.190E+04 /
+PC2H4COC2H3=C2H3CO+C2H4 +5.263E+14 +0.380 +21460.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.130E+04 /
+SC2H4COC2H3=CH3CHCO+C2H3 +1.637E+16 -0.740 +54590.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.260E+04 /
+NC7H16=H+C7H15-1 +2.680E+88 -21.170 +142800.0 ! *:_:* LLNL *:_:*
+ REV/ 7.264E+84 -20.81 4.156E+04 /
+NC7H16=H+C7H15-2 +1.300E+88 -21.010 +139500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.263E+83 -20.31 4.083E+04 /
+NC7H16=H+C7H15-3 +1.300E+88 -21.010 +139500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.263E+83 -20.31 4.083E+04 /
+NC7H16=H+C7H15-4 +6.500E+87 -21.010 +139500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.255E+83 -20.31 4.083E+04 /
+NC7H16(+M)=C6H13-1+CH3(+M) +4.325E+24 -2.120 +89900.0 ! *:_:* LLNL *:_:*
+ LOW / 4.9630E+42 -7.7800E+00 4.2800E+04 /
+ TROE / 8.9200E-01 1.0000E+10 2.2280E+00 1.7980E+09 /
+NC7H16(+M)=C5H11-1+C2H5(+M) +6.818E+26 -2.700 +88910.0 ! *:_:* LLNL *:_:*
+ LOW / 3.7530E+48 -9.4600E+00 4.1310E+04 /
+ TROE / 9.0000E-02 3.6556E+00 1.0000E+10 9.3300E+09 /
+NC7H16(+M)=PC4H9+NC3H7(+M) +1.362E+26 -2.530 +88760.0 ! *:_:* LLNL *:_:*
+ LOW / 6.5090E+48 -9.5700E+00 4.1290E+04 /
+ TROE / 9.1100E-01 1.0000E+10 2.2382E+01 5.0000E+09 /
+NC7H16+H=C7H15-1+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.037E+01 3.38 8.618E+03 /
+NC7H16+H=C7H15-2+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.807E+01 3.38 9.318E+03 /
+NC7H16+H=C7H15-3+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.807E+01 3.38 9.318E+03 /
+NC7H16+H=C7H15-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.800E+01 3.38 9.318E+03 /
+NC7H16+O=C7H15-1+OH +1.930E+05 +2.680 +3716.0 ! *:_:* LLNL *:_:*
+ REV/ 1.085E+01 3.29 4.642E+03 /
+NC7H16+O=C7H15-2+OH +9.540E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.481E-01 3.67 5.541E+03 /
+NC7H16+O=C7H15-3+OH +9.540E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.481E-01 3.67 5.541E+03 /
+NC7H16+O=C7H15-4+OH +4.770E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.468E-01 3.67 5.541E+03 /
+NC7H16+OH=C7H15-1+H2O +2.570E+07 +1.800 +954.0 ! *:_:* LLNL *:_:*
+ REV/ 2.952E+04 2.33 1.818E+04 /
+NC7H16+OH=C7H15-2+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.624E+02 2.87 1.914E+04 /
+NC7H16+OH=C7H15-3+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.624E+02 2.87 1.914E+04 /
+NC7H16+OH=C7H15-4+H2O +2.450E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+02 2.87 1.914E+04 /
+NC7H16+HO2=C7H15-1+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.557E+00 3.53 3.498E+03 /
+NC7H16+HO2=C7H15-2+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.982E-01 3.66 2.562E+03 /
+NC7H16+HO2=C7H15-3+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.982E-01 3.66 2.562E+03 /
+NC7H16+HO2=C7H15-4+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.952E-01 3.66 2.562E+03 /
+NC7H16+CH3=C7H15-1+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.935E-02 3.84 1.103E+04 /
+NC7H16+CH3=C7H15-2+CH4 +5.410E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 3.432E+02 2.79 1.367E+04 /
+NC7H16+CH3=C7H15-3+CH4 +5.410E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 3.432E+02 2.79 1.367E+04 /
+NC7H16+CH3=C7H15-4+CH4 +2.705E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 3.419E+02 2.79 1.367E+04 /
+NC7H16+O2=C7H15-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.386E+10 0.28 4.530E+02 /
+NC7H16+O2=C7H15-2+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.63 3.090E+02 /
+NC7H16+O2=C7H15-3+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.63 3.090E+02 /
+NC7H16+O2=C7H15-4+HO2 +1.400E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+ REV/ 9.941E+08 0.63 3.090E+02 /
+NC7H16+C2H5=C7H15-1+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.00 1.230E+04 /
+NC7H16+C2H5=C7H15-2+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC7H16+C2H5=C7H15-3+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC7H16+C2H5=C7H15-4+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC7H16+CH3O=C7H15-1+CH3OH +3.160E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.00 9.200E+03 /
+NC7H16+CH3O=C7H15-2+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.00 7.200E+03 /
+NC7H16+CH3O=C7H15-3+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.00 7.200E+03 /
+NC7H16+CH3O=C7H15-4+CH3OH +1.095E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.00 7.200E+03 /
+NC7H16+C2H3=C7H15-1+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.00 2.540E+04 /
+NC7H16+C2H3=C7H15-2+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC7H16+C2H3=C7H15-3+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC7H16+C2H3=C7H15-4+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC7H16+CH3O2=C7H15-1+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.690E+00 3.46 3.024E+03 /
+NC7H16+CH3O2=C7H15-2+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.562E+00 3.42 2.054E+03 /
+NC7H16+CH3O2=C7H15-3+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.562E+00 3.42 2.054E+03 /
+NC7H16+CH3O2=C7H15-4+CH3O2H +1.019E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.553E+00 3.42 2.054E+03 /
+NC7H16+O2CHO=C7H15-1+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.170E+03 2.25 3.057E+03 /
+NC7H16+O2CHO=C7H15-2+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.482E+01 2.64 2.823E+03 /
+NC7H16+O2CHO=C7H15-3+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.482E+01 2.64 2.823E+03 /
+NC7H16+O2CHO=C7H15-4+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.472E+01 2.64 2.823E+03 /
+NC7H16+C7H15O2-1=C7H15-1+C7H15O2H-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-1+C7H15O2H-2 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-1+C7H15O2H-3 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-1+C7H15O2H-4 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-1=C7H15-2+C7H15O2H-1 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-2+C7H15O2H-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-2+C7H15O2H-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-2+C7H15O2H-4 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-1=C7H15-3+C7H15O2H-1 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-3+C7H15O2H-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-3+C7H15O2H-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-3+C7H15O2H-4 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-1=C7H15-4+C7H15O2H-1 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-4+C7H15O2H-2 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-4+C7H15O2H-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-4+C7H15O2H-4 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15-1=C7H15-2+NC7H16 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC7H16+C7H15-1=C7H15-3+NC7H16 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC7H16+C7H15-1=C7H15-4+NC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC7H16+C7H15-2=C7H15-3+NC7H16 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+NC7H16+C7H15-2=C7H15-4+NC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+NC7H16+C7H15-3=C7H15-4+NC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+C7H15-1=C5H11-1+C2H4 +1.227E+19 -1.910 +31400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.200E+03 /
+C7H15-1=C7H14-1+H +9.648E+13 -0.260 +36010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-2=PC4H9+C3H6 +9.764E+18 -1.790 +31360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.200E+03 /
+C7H15-2=C7H14-1+H +6.067E+12 +0.090 +36810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 1.200E+03 /
+C7H15-2=C7H14-2+H +1.229E+13 -0.080 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-3=C4H8-1+NC3H7 +6.165E+18 -1.710 +30960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.700E+03 /
+C7H15-3=C6H12-1+CH3 +2.698E+17 -1.350 +31480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+11 0.00 7.200E+03 /
+C7H15-3=C7H14-2+H +1.229E+13 -0.080 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-3=C7H14-3+H +9.152E+12 -0.020 +35730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-4=C2H5+C5H10-1 +1.143E+18 -1.340 +31430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.200E+03 /
+C7H15-4=C7H14-3+H +1.819E+13 -0.020 +35730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-1+O2=C7H14-1+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.517E-10 0.18 1.876E+04 /
+C7H15-2+O2=C7H14-1+HO2 +4.500E-09 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.532E-08 -0.16 1.827E+04 /
+C7H15-2+O2=C7H14-2+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.040E-09 0.01 1.912E+04 /
+C7H15-3+O2=C7H14-2+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.040E-09 0.01 1.912E+04 /
+C7H15-3+O2=C7H14-3+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.769E-09 -0.05 1.903E+04 /
+C7H15-4+O2=C7H14-3+HO2 +6.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.795E-09 -0.05 1.903E+04 /
+C7H15-1=C7H15-3 +1.386E+09 +0.980 +33760.0 ! *:_:* LLNL *:_:*
+ REV/ 8.716E+07 1.33 3.627E+04 /
+C7H15-1=C7H15-4 +2.541E+09 +0.350 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 3.176E+08 0.70 2.227E+04 /
+C7H15-2=C7H15-3 +9.587E+08 +1.390 +39700.0 ! *:_:* LLNL *:_:*
+ REV/ 9.587E+08 1.39 3.970E+04 /
+C7H15-1=C7H15-2 +5.478E+08 +1.620 +38760.0 ! *:_:* LLNL *:_:*
+ REV/ 3.445E+07 1.97 4.127E+04 /
+C7H14-1+H=C7H131-3+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.393E+06 2.10 2.062E+04 /
+C7H14-1+H=C7H131-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+03 2.74 1.154E+04 /
+C7H14-1+H=C7H131-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+03 2.74 1.154E+04 /
+C7H14-1+H=C7H131-6+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+03 2.74 1.154E+04 /
+C7H14-1+H=C7H131-7+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.056E+04 2.54 1.132E+04 /
+C7H14-1+OH=C7H131-3+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.557E+06 2.38 3.365E+04 /
+C7H14-1+OH=C7H131-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.963E+05 1.95 2.219E+04 /
+C7H14-1+OH=C7H131-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.963E+05 1.95 2.219E+04 /
+C7H14-1+OH=C7H131-6+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.963E+05 1.95 2.219E+04 /
+C7H14-1+OH=C7H131-7+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.049E+09 0.97 2.130E+04 /
+C7H14-1+CH3=C7H131-3+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+03 3.05 2.489E+04 /
+C7H14-1+CH3=C7H131-4+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.163E-01 3.80 1.303E+04 /
+C7H14-1+CH3=C7H131-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.163E-01 3.80 1.303E+04 /
+C7H14-1+CH3=C7H131-6+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.163E-01 3.80 1.303E+04 /
+C7H14-1+CH3=C7H131-7+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.427E-01 3.65 1.219E+04 /
+C7H14-1+HO2=C7H131-3+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.612E+06 1.96 1.463E+04 /
+C7H14-1+HO2=C7H131-4+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.307E+02 2.62 4.672E+03 /
+C7H14-1+HO2=C7H131-5+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.307E+02 2.62 4.672E+03 /
+C7H14-1+HO2=C7H131-6+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.307E+02 2.62 4.672E+03 /
+C7H14-1+HO2=C7H131-7+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.811E+04 2.22 4.746E+03 /
+C7H14-1+CH3O2=C7H131-3+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.357E+06 1.79 1.161E+04 /
+C7H14-1+CH3O2=C7H131-4+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+03 2.44 1.652E+03 /
+C7H14-1+CH3O2=C7H131-5+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+03 2.44 1.652E+03 /
+C7H14-1+CH3O2=C7H131-6+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+03 2.44 1.652E+03 /
+C7H14-1+CH3O2=C7H131-7+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.853E+04 2.04 1.726E+03 /
+C7H14-1+CH3O=C7H131-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.510E+02 2.66 2.729E+04 /
+C7H14-1+CH3O=C7H131-4+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+08 0.37 9.911E+03 /
+C7H14-1+CH3O=C7H131-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+08 0.37 9.911E+03 /
+C7H14-1+CH3O=C7H131-6+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+08 0.37 9.911E+03 /
+C7H14-1+CH3O=C7H131-7+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.808E+09 0.02 9.288E+03 /
+C7H14-2+H=C7H131-3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 4.561E+06 2.06 2.003E+04 /
+C7H14-2+H=C7H132-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.400E+06 2.10 2.059E+04 /
+C7H14-2+H=C7H132-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.843E+03 2.74 1.152E+04 /
+C7H14-2+H=C7H132-6+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.843E+03 2.74 1.152E+04 /
+C7H14-2+H=C7H132-7+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.149E+04 2.53 1.130E+04 /
+C7H14-2+OH=C7H131-3+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.561E+08 1.56 3.240E+04 /
+C7H14-2+OH=C7H132-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.560E+06 2.38 3.362E+04 /
+C7H14-2+OH=C7H132-5+H2O +4.670E+05 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.978E+03 1.95 2.217E+04 /
+C7H14-2+OH=C7H132-6+H2O +4.670E+05 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.978E+03 1.95 2.217E+04 /
+C7H14-2+OH=C7H132-7+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.080E+09 0.96 2.128E+04 /
+C7H14-2+CH3=C7H131-3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 1.522E+03 3.06 2.370E+04 /
+C7H14-2+CH3=C7H132-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.256E+03 3.05 2.486E+04 /
+C7H14-2+CH3=C7H132-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.166E-01 3.80 1.301E+04 /
+C7H14-2+CH3=C7H132-6+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.166E-01 3.80 1.301E+04 /
+C7H14-2+CH3=C7H132-7+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.591E-01 3.64 1.217E+04 /
+C7H14-2+HO2=C7H131-3+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.531E+06 1.84 1.514E+04 /
+C7H14-2+HO2=C7H132-4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.615E+06 1.96 1.460E+04 /
+C7H14-2+HO2=C7H132-5+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.325E+02 2.62 4.652E+03 /
+C7H14-2+HO2=C7H132-6+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.325E+02 2.62 4.652E+03 /
+C7H14-2+HO2=C7H132-7+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.896E+04 2.21 4.726E+03 /
+C7H14-2+CH3O2=C7H131-3+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.360E+07 1.66 1.212E+04 /
+C7H14-2+CH3O2=C7H132-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.362E+06 1.79 1.158E+04 /
+C7H14-2+CH3O2=C7H132-5+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.525E+03 2.44 1.632E+03 /
+C7H14-2+CH3O2=C7H132-6+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.525E+03 2.44 1.632E+03 /
+C7H14-2+CH3O2=C7H132-7+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.030E+04 2.04 1.706E+03 /
+C7H14-2+CH3O=C7H131-3+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.144E+03 2.54 2.780E+04 /
+C7H14-2+CH3O=C7H132-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.513E+02 2.66 2.726E+04 /
+C7H14-2+CH3O=C7H132-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.067E+08 0.37 9.891E+03 /
+C7H14-2+CH3O=C7H132-6+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.067E+08 0.37 9.891E+03 /
+C7H14-2+CH3O=C7H132-7+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.953E+09 0.02 9.268E+03 /
+C7H14-3+H=C7H133-1+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.097E+04 2.53 1.126E+04 /
+C7H14-3+H=C7H132-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 3.276E+06 2.16 2.068E+04 /
+C7H14-3+H=C7H133-5+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.380E+06 2.10 2.056E+04 /
+C7H14-3+H=C7H133-6+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.916E+03 2.74 1.149E+04 /
+C7H14-3+H=C7H133-7+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.097E+04 2.53 1.126E+04 /
+C7H14-3+OH=C7H133-1+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.125E+09 0.96 2.124E+04 /
+C7H14-3+OH=C7H132-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.161E+06 2.44 3.371E+04 /
+C7H14-3+OH=C7H133-5+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.552E+06 2.38 3.359E+04 /
+C7H14-3+OH=C7H133-6+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.091E+05 1.95 2.214E+04 /
+C7H14-3+OH=C7H133-7+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.125E+09 0.96 2.124E+04 /
+C7H14-3+CH3=C7H133-1+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+00 3.64 1.213E+04 /
+C7H14-3+CH3=C7H132-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 9.355E+02 3.11 2.495E+04 /
+C7H14-3+CH3=C7H133-5+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.251E+03 3.05 2.483E+04 /
+C7H14-3+CH3=C7H133-6+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.188E-01 3.80 1.298E+04 /
+C7H14-3+CH3=C7H133-7+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+00 3.64 1.213E+04 /
+C7H14-3+HO2=C7H133-1+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.697E+04 2.22 4.686E+03 /
+C7H14-3+HO2=C7H132-4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.202E+06 2.03 1.469E+04 /
+C7H14-3+HO2=C7H133-5+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.607E+06 1.96 1.457E+04 /
+C7H14-3+HO2=C7H133-6+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.464E+02 2.61 4.622E+03 /
+C7H14-3+HO2=C7H133-7+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.697E+04 2.22 4.686E+03 /
+C7H14-3+CH3O2=C7H133-1+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.186E+05 2.04 1.666E+03 /
+C7H14-3+CH3O2=C7H132-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 2.503E+06 1.85 1.167E+04 /
+C7H14-3+CH3O2=C7H133-5+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.346E+06 1.79 1.155E+04 /
+C7H14-3+CH3O2=C7H133-6+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.554E+03 2.44 1.602E+03 /
+C7H14-3+CH3O2=C7H133-7+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.186E+05 2.04 1.666E+03 /
+C7H14-3+CH3O=C7H133-1+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.743E+09 0.02 9.228E+03 /
+C7H14-3+CH3O=C7H132-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 1.871E+02 2.73 2.735E+04 /
+C7H14-3+CH3O=C7H133-5+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.502E+02 2.66 2.723E+04 /
+C7H14-3+CH3O=C7H133-6+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.106E+08 0.37 9.861E+03 /
+C7H14-3+CH3O=C7H133-7+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.743E+09 0.02 9.228E+03 /
+C7H131-3+HO2=C7H13O1-3+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.435E+15 -1.02 1.540E+04 /
+C7H131-3+CH3O2=C7H13O1-3+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.332E+17 -1.60 2.016E+04 /
+C7H131-3+C2H5O2=C7H13O1-3+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+14 -0.68 1.800E+04 /
+C7H131-3=C4H6+NC3H7 +1.105E+19 -1.530 +40700.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.00 8.300E+03 /
+C7H131-4=C5H10-1+C2H3 +2.492E+12 +0.030 +37300.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.00 8.300E+03 /
+C7H131-4=C5H81-3+C2H5 +2.289E+14 -0.680 +22050.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.00 8.300E+03 /
+C7H131-5=C4H8-1+C3H5-A +6.177E+15 -1.180 +17980.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.00 8.300E+03 /
+C7H131-6=C3H6+C4H71-4 +1.238E+17 -1.170 +30740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H131-7=C2H4+C5H91-5 +9.416E+17 -1.560 +31180.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H132-4+HO2=C7H13O2-4+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.273E+15 -1.02 1.543E+04 /
+C7H132-4+CH3O2=C7H13O2-4+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.173E+17 -1.59 2.019E+04 /
+C7H132-4+C2H5O2=C7H13O2-4+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.732E+14 -0.67 1.803E+04 /
+C7H132-5=C4H8-1+C3H5-S +9.419E+17 -1.490 +44260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H132-6=C3H6+C4H71-3 +2.189E+14 -0.740 +17740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H132-7=C2H4+C5H92-5 +9.786E+17 -1.570 +31160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H133-1=C2H4+C5H91-1 +1.007E+17 -1.320 +43990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H133-5+HO2=C7H13O3-5+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.182E+15 -0.84 1.527E+04 /
+C7H133-5+CH3O2=C7H13O3-5+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.155E+17 -1.42 2.003E+04 /
+C7H133-5+C2H5O2=C7H13O3-5+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.559E+13 -0.50 1.787E+04 /
+C7H133-6=C3H6+C4H71-1 +1.354E+16 -0.920 +43560.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H133-7=C2H4+C5H91-3 +2.274E+15 -1.200 +18050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H13O1-3=C2H3CHO+PC4H9 +9.625E+19 -1.960 +10850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O1-3=NC4H9CHO+C2H3 +1.026E+18 -1.510 +23300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O2-4=SC3H5CHO+NC3H7 +6.319E+19 -1.930 +11130.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O2-4=NC3H7CHO+C3H5-S +1.012E+22 -2.460 +29190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O3-5=C4H7CHO1-1+C2H5 +6.033E+18 -1.620 +10450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O3-5=C2H5CHO+C4H71-1 +6.425E+21 -2.430 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H14-1+OH=CH2O+C6H13-1 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-1+OH=CH3CHO+C5H11-1 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-2+OH=CH3CHO+C5H11-1 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-2+OH=C2H5CHO+PC4H9 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-3+OH=C2H5CHO+PC4H9 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-1+O=CH2CHO+C5H11-1 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-2+O=CH3CHO+C5H10-1 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-3+O=CH3CHO+C5H10-1 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-1=PC4H9+C3H5-A +3.170E+21 -1.620 +75330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+C7H14-2=C4H71-3+NC3H7 +3.735E+21 -1.740 +75710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+C7H14-3=C5H91-3+C2H5 +5.947E+21 -1.850 +75790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+C7H15O2-1=C7H15-1+O2 +2.657E+20 -1.670 +35400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H15O2-2=C7H15-2+O2 +1.357E+23 -2.360 +37670.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H15O2-3=C7H15-3+O2 +1.357E+23 -2.360 +37670.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H15O2-4=C7H15-4+O2 +1.357E+23 -2.360 +37670.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H15-1+C7H15O2-1=2C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.116E+14 -0.23 3.025E+04 /
+C7H15-1+C7H15O2-2=C7H15O-1+C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+13 -0.16 2.988E+04 /
+C7H15-1+C7H15O2-3=C7H15O-1+C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+13 -0.16 2.988E+04 /
+C7H15-1+C7H15O2-4=C7H15O-1+C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+13 -0.16 2.988E+04 /
+C7H15-2+C7H15O2-1=C7H15O-2+C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.689E+15 -0.80 3.216E+04 /
+C7H15-2+C7H15O2-2=2C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-2+C7H15O2-3=C7H15O-2+C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-2+C7H15O2-4=C7H15O-2+C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-3+C7H15O2-1=C7H15O-3+C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.689E+15 -0.80 3.216E+04 /
+C7H15-3+C7H15O2-2=C7H15O-3+C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-3+C7H15O2-3=2C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-3+C7H15O2-4=C7H15O-3+C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-4+C7H15O2-1=C7H15O-4+C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.689E+15 -0.80 3.216E+04 /
+C7H15-4+C7H15O2-2=C7H15O-4+C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-4+C7H15O2-3=C7H15O-4+C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-4+C7H15O2-4=2C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.511E+15 -0.73 3.179E+04 /
+C7H15-1+HO2=C7H15O-1+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.549E+15 -0.57 2.616E+04 /
+C7H15-2+HO2=C7H15O-2+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.081E+17 -1.15 2.807E+04 /
+C7H15-3+HO2=C7H15O-3+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.081E+17 -1.15 2.807E+04 /
+C7H15-4+HO2=C7H15O-4+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.081E+17 -1.15 2.807E+04 /
+C7H15-1+CH3O2=C7H15O-1+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.220E+14 -0.28 3.040E+04 /
+C7H15-2+CH3O2=C7H15O-2+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.927E+16 -0.85 3.231E+04 /
+C7H15-3+CH3O2=C7H15O-3+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.927E+16 -0.85 3.231E+04 /
+C7H15-4+CH3O2=C7H15O-4+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.927E+16 -0.85 3.231E+04 /
+C7H15O2-1=C7H14-1+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.291E+29 -6.22 2.086E+04 /
+C7H15O2-2=C7H14-1+HO2 +1.008E+43 -9.410 +42490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.596E+32 -7.21 1.707E+04 /
+C7H15O2-2=C7H14-2+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.708E+28 -5.74 1.894E+04 /
+C7H15O2-3=C7H14-2+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.708E+28 -5.74 1.894E+04 /
+C7H15O2-3=C7H14-3+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.323E+28 -5.80 1.885E+04 /
+C7H15O2-4=C7H14-3+HO2 +2.009E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+28 -5.80 1.885E+04 /
+C7H15O2-1=C7H14OOH1-2 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-1=C7H14OOH1-3 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-1=C7H14OOH1-4 +3.125E+09 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H15O2-1=C7H14OOH1-5 +3.906E+08 +0.000 +21650.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-1 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-3 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-4 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-5 +3.125E+09 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-6 +3.906E+08 +0.000 +21650.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-1 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-2 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-5 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-6 +3.125E+09 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-7 +5.860E+08 +0.000 +25150.0 ! *:_:* LLNL *:_:*
+C7H15O2-4=C7H14OOH4-1 +9.376E+09 +0.000 +21950.0 ! *:_:* LLNL *:_:*
+C7H15O2-4=C7H14OOH4-2 +5.000E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-4=C7H14OOH4-3 +4.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+HO2=C7H15O2H-1+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.782E+13 -0.79 3.401E+04 /
+C7H15O2-2+HO2=C7H15O2H-2+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.496E+13 -0.82 3.404E+04 /
+C7H15O2-3+HO2=C7H15O2H-3+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.496E+13 -0.82 3.404E+04 /
+C7H15O2-4+HO2=C7H15O2H-4+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.497E+13 -0.82 3.404E+04 /
+H2O2+C7H15O2-1=HO2+C7H15O2H-1 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+H2O2+C7H15O2-2=HO2+C7H15O2H-2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+H2O2+C7H15O2-3=HO2+C7H15O2H-3 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+H2O2+C7H15O2-4=HO2+C7H15O2H-4 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C7H15O2-1+CH3O2=C7H15O-1+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-2+CH3O2=C7H15O-2+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-3+CH3O2=C7H15O-3+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-4+CH3O2=C7H15O-4+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-1=O2+2C7H15O-1 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-1+C7H15O2-2=C7H15O-1+C7H15O-2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-1+C7H15O2-3=C7H15O-1+C7H15O-3+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-1+C7H15O2-4=C7H15O-1+C7H15O-4+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-2=O2+2C7H15O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-2+C7H15O2-3=C7H15O-2+C7H15O-3+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-2+C7H15O2-4=C7H15O-2+C7H15O-4+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-3=O2+2C7H15O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-3+C7H15O2-4=C7H15O-3+C7H15O-4+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-4=O2+2C7H15O-4 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2H-1=C7H15O-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.989E+07 1.93 -6.522E+03 /
+C7H15O2H-2=C7H15O-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.517E+06 2.03 -6.922E+03 /
+C7H15O2H-3=C7H15O-3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.517E+06 2.03 -6.922E+03 /
+C7H15O2H-4=C7H15O-4+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.516E+06 2.03 -6.922E+03 /
+C7H15O-1=CH2O+C6H13-1 +6.023E+20 -2.180 +24830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C7H15O-2=CH3CHO+C5H11-1 +1.475E+22 -2.550 +20370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+C7H15O-3=C2H5CHO+PC4H9 +6.573E+17 -1.160 +19370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+C7H15O-4=NC3H7CHO+NC3H7 +4.769E+22 -2.580 +21820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+C7H14-1+HO2=C7H14OOH1-2 +2.500E+03 +2.500 +11200.0 ! *:_:* LLNL *:_:*
+C7H14-1+HO2=C7H14OOH2-1 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-2+HO2=C7H14OOH2-3 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-2+HO2=C7H14OOH3-2 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-3+HO2=C7H14OOH3-4 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-3+HO2=C7H14OOH4-3 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-2=C7H14O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-3=C7H14O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-4=C7H14O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-5=C7H14O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-1=C7H14O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-3=C7H14O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-4=C7H14O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-5=C7H14O2-5+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-6=C7H14O2-6+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-1=C7H14O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-2=C7H14O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-4=C7H14O3-4+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-5=C7H14O3-5+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-6=C7H14O2-5+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-7=C7H14O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-1=C7H14O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-2=C7H14O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-3=C7H14O3-4+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-3=OH+CH2O+C6H12-1 +2.147E+09 +1.230 +30370.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-4=OH+CH3CHO+C5H10-1 +1.548E+12 +0.590 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-1=OH+NC4H9CHO+C2H4 +8.182E+13 -0.130 +31330.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-5=OH+C2H5CHO+C4H8-1 +2.661E+13 +0.130 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-2=OH+NC3H7CHO+C3H6 +6.186E+13 +0.090 +30840.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-3=C4H7OOH1-4+NC3H7 +1.609E+12 +0.540 +27740.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH1-4=C5H10-1+C2H4+HO2 +1.446E+11 +0.690 +30820.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-4=C5H9OOH1-5+C2H5 +1.721E+12 +0.510 +27900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH2-4=C5H9OOH1-4+C2H5 +4.080E+12 +0.320 +29230.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH2-5=C4H8-1+C3H6OOH2-1 +6.856E+13 +0.030 +31380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH2-5=C6H11OOH1-5+CH3 +7.417E+10 +0.750 +30260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH3-5=C6H11OOH1-4+CH3 +7.417E+10 +0.750 +30260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH3-6=C4H8OOH2-1+C3H6 +4.578E+11 +0.600 +29170.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH4-1=C5H10OOH2-1+C2H4 +1.643E+12 +0.440 +29320.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH1-2O2=C7H14OOH1-2+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-3O2=C7H14OOH1-3+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-4O2=C7H14OOH1-4+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-5O2=C7H14OOH1-5+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-1O2=C7H14OOH2-1+O2 +3.323E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH2-3O2=C7H14OOH2-3+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-4O2=C7H14OOH2-4+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-5O2=C7H14OOH2-5+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-6O2=C7H14OOH2-6+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-1O2=C7H14OOH3-1+O2 +3.323E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH3-2O2=C7H14OOH3-2+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-4O2=C7H14OOH3-4+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-5O2=C7H14OOH3-5+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-6O2=C7H14OOH3-6+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-7O2=C7H14OOH3-7+O2 +3.323E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH4-1O2=C7H14OOH4-1+O2 +1.668E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH4-2O2=C7H14OOH4-2+O2 +6.969E+22 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH4-3O2=C7H14OOH4-3+O2 +6.969E+22 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-2O2=NC7KET12+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-3O2=NC7KET13+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-4O2=NC7KET14+OH +3.125E+09 +0.000 +18950.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-5O2=NC7KET15+OH +3.906E+08 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-1O2=NC7KET21+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-3O2=NC7KET23+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-4O2=NC7KET24+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-5O2=NC7KET25+OH +1.563E+09 +0.000 +15650.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-6O2=NC7KET26+OH +1.953E+08 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-1O2=NC7KET31+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-2O2=NC7KET32+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-4O2=NC7KET34+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-5O2=NC7KET35+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-6O2=NC7KET36+OH +1.563E+09 +0.000 +15650.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-7O2=NC7KET37+OH +1.953E+08 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H14OOH4-1O2=NC7KET41+OH +1.563E+09 +0.000 +15650.0 ! *:_:* LLNL *:_:*
+C7H14OOH4-2O2=NC7KET42+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH4-3O2=NC7KET43+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+NC7KET12=NC5H11CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET13=NC4H9CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET14=NC3H7CHO+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET15=C2H5CHO+C3H6CHO-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET21=CH2O+NC5H11CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET23=NC4H9CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET24=NC3H7CHO+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET25=C2H5CHO+CH2CH2COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET26=CH3CHO+C3H6COCH3-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET31=CH2O+NC4H9COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET32=CH3CHO+NC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET34=NC3H7CHO+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET35=C2H5CHO+C2H5COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET36=CH3CHO+C2H5COC2H4P+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET37=CH2O+C3H6COC2H5-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET41=CH2O+NC3H7COC2H4P+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET42=CH3CHO+NC3H7COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET43=C2H5CHO+NC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+OH=PC4H9+C2H3CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+OH=C6H12-1+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+OH=C5H10-1+CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+OH=C4H8-1+CH2CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+OH=C2H3COCH3+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+OH=CH3CO+C5H10-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+OH=CH3COCH2+C4H8-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+OH=CH2CH2COCH3+C3H6+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+OH=C2H5COC2H3+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+OH=C2H5CO+C4H8-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+OH=CH2CO+C5H11-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+OH=C2H4+NC4H9CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+OH=C2H4+NC3H7COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+OH=C2H4+C2H5COC2H4P+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+OH=CH3CHCO+PC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+OH=C3H6+NC3H7CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+OH=C3H6+C2H5COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+OH=CH3CHO+C5H91-4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+OH=C2H5CHCO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+OH=C2H5CHO+C4H71-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+HO2=PC4H9+C2H3CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+HO2=C6H12-1+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+HO2=C5H10-1+CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+HO2=C4H8-1+CH2CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+HO2=C2H3COCH3+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+HO2=CH3CO+C5H10-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+HO2=CH3COCH2+C4H8-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+HO2=CH2CH2COCH3+C3H6+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+HO2=C2H5COC2H3+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+HO2=C2H5CO+C4H8-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+HO2=CH2CO+C5H11-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+HO2=C2H4+NC4H9CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+HO2=C2H4+NC3H7COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+HO2=C2H4+C2H5COC2H4P+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+HO2=CH3CHCO+PC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+HO2=C3H6+NC3H7CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+HO2=C3H6+C2H5COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+HO2=CH3CHO+C5H91-4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+HO2=C2H5CHCO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+HO2=C2H5CHO+C4H71-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OH-1=C7H14-1+OH +5.430E+14 -0.530 +27830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 -1.042E+03 /
+O2C7H14OH-1=C7H14OH-1+O2 +2.983E+21 -1.980 +37820.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 0.000E+00 /
+O2C7H14OH-1=NC5H11CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OH-2=C7H14-2+OH +1.044E+16 -1.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 -1.042E+03 /
+O2C7H14OH-2=C7H14OH-2+O2 +4.775E+21 -2.060 +37860.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 0.000E+00 /
+O2C7H14OH-1=NC4H9CHO+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OH-3=C7H14-3+OH +7.773E+15 -0.930 +29490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 -1.042E+03 /
+O2C7H14OH-3=C7H14OH-3+O2 +4.775E+21 -2.060 +37860.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 0.000E+00 /
+O2C7H14OH-3=NC3H7CHO+C2H5CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC5H11CHO+O2=NC5H11CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+07 0.00 4.000E+04 /
+NC5H11CHO+OH=NC5H11CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.740E+10 0.76 3.120E+04 /
+NC5H11CHO+H=NC5H11CO+H2 +4.000E+13 +0.000 +4200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.800E+13 0.00 2.400E+04 /
+NC5H11CHO+O=NC5H11CO+OH +5.000E+12 +0.000 +1790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.900E+04 /
+NC5H11CHO+HO2=NC5H11CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.000E+04 /
+NC5H11CHO+CH3=NC5H11CO+CH4 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+13 0.00 2.800E+04 /
+NC5H11CHO+CH3O=NC5H11CO+CH3OH +1.150E+11 +0.000 +1280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.00 1.800E+04 /
+NC5H11CHO+CH3O2=NC5H11CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.00 1.000E+04 /
+NC5H11CHO+OH=C5H10CHO-1+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.071E+09 0.96 2.101E+04 /
+NC5H11CHO+OH=C5H10CHO-2+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.752E+06 1.85 2.388E+04 /
+NC5H11CHO+OH=C5H10CHO-3+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.752E+06 1.85 2.388E+04 /
+NC5H11CHO+OH=C5H10CHO-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.752E+06 1.85 2.388E+04 /
+NC5H11CHO+OH=C5H10CHO-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 3.317E+09 1.25 3.084E+04 /
+NC5H11CO=C5H11-1+CO +1.000E+11 +0.000 +9600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 0.000E+00 /
+NC5H11CHO+HO2=C5H10CHO-1+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.330E+04 2.22 4.442E+03 /
+NC5H11CHO+HO2=C5H10CHO-2+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.285E+03 2.51 6.362E+03 /
+NC5H11CHO+HO2=C5H10CHO-3+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.285E+03 2.51 6.362E+03 /
+NC5H11CHO+HO2=C5H10CHO-4+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.285E+03 2.51 6.362E+03 /
+NC5H11CHO+HO2=C5H10CHO-5+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.244E+07 1.91 1.332E+04 /
+NC5H11CHO+CH3O2=C5H10CHO-1+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.990E+13 -0.51 6.617E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+12 -0.26 8.784E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-3+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+12 -0.26 8.784E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-4+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+12 -0.26 8.784E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-5+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 6.897E+15 -0.86 1.574E+04 /
+C5H10CHO-1=C2H4+C3H6CHO-1 +2.680E+18 -1.580 +30410.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+C5H10CHO-2=C3H6+CH2CH2CHO +9.380E+17 -1.310 +31970.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-3=C4H8-1+CH2CHO +6.270E+16 -1.430 +25990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-3=C4H7CHO1-4+CH3 +2.373E+14 -0.560 +31320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-4=AC3H5CHO+C2H5 +7.188E+17 -1.370 +33230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-4=C5H10-1+HCO +1.057E+14 -0.410 +26330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-5=C2H3CHO+NC3H7 +1.564E+19 -1.530 +33310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H7CHO1-4+OH=C4H7CO1-4+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.398E+12 -0.02 3.094E+04 /
+C4H7CHO1-4+OH=C4H6CHO1-43+H2O +2.080E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.187E+08 1.74 3.498E+04 /
+C4H7CHO1-4+OH=C4H6CHO1-44+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.502E+09 1.31 2.890E+04 /
+C4H7CHO1-4+OH=CH3CHO+CH2CH2CHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.344E+06 0.97 1.926E+04 /
+C4H7CHO1-4+HO2=C4H7CO1-4+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.225E+12 -0.35 1.201E+04 /
+C4H7CHO1-4+HO2=C4H6CHO1-43+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.265E+06 2.01 1.773E+04 /
+C4H7CHO1-4+HO2=C4H6CHO1-44+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.815E+06 1.97 1.138E+04 /
+C4H7CHO1-4+CH3O2=C4H7CO1-4+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.861E+13 -0.52 1.297E+04 /
+C4H7CHO1-4+CH3O2=C4H6CHO1-43+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.770E+15 -0.77 2.015E+04 /
+C4H7CHO1-4+CH3O2=C4H6CHO1-44+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.561E+15 -0.80 1.380E+04 /
+C4H7CO1-4=C4H71-4+CO +7.372E+18 -1.760 +15230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 4.810E+03 /
+C4H6CHO1-43=C4H6+HCO +4.834E+15 -0.790 +33540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H6CHO1-44=C2H3CHO+C2H3 +2.118E+14 -0.390 +37160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+NC4H9COCH3+OH=C4H8COCH3-1+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 4.278E+06 1.72 2.019E+04 /
+NC4H9COCH3+OH=C4H8COCH3-2+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 3.070E+05 2.04 2.163E+04 /
+NC4H9COCH3+OH=C4H8COCH3-3+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 3.070E+05 2.04 2.163E+04 /
+NC4H9COCH3+OH=C4H8COCH3-4+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.633E+13 -0.23 2.864E+04 /
+NC4H9COCH3+OH=NC4H9COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.786E+13 -0.70 2.768E+04 /
+NC4H9COCH3+HO2=C4H8COCH3-1+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.927E+04 2.21 4.462E+03 /
+NC4H9COCH3+HO2=C4H8COCH3-2+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.823E+11 0.07 8.112E+03 /
+NC4H9COCH3+HO2=C4H8COCH3-3+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.823E+11 0.07 8.112E+03 /
+NC4H9COCH3+HO2=C4H8COCH3-4+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.294E+13 -0.56 6.100E+03 /
+NC4H9COCH3+HO2=NC4H9COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.880E+07 1.52 9.712E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-1+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+13 -0.51 6.627E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.123E+11 -0.11 6.744E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-3+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.123E+11 -0.11 6.744E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-4+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 9.429E+14 -0.73 1.193E+04 /
+NC4H9COCH3+CH3O2=NC4H9COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 9.770E+15 -1.21 1.188E+04 /
+C4H8COCH3-1=CH2CH2COCH3+C2H4 +1.133E+18 -1.590 +30910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C4H8COCH3-2=C3H6+CH3COCH2 +3.175E+15 -0.790 +26220.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C4H8COCH3-3=C4H8-1+CH3CO +1.714E+18 -1.610 +28250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.800E+03 /
+C4H8COCH3-4=C2H3COCH3+C2H5 +4.691E+19 -1.610 +33750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+NC4H9COCH2=PC4H9+CH2CO +1.554E+18 -1.410 +43140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.160E+04 /
+C4H7OOH1-4=C4H7O1-4+OH +2.021E+20 -1.530 +47040.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C5H9OOH1-4=C5H9O1-4+OH +1.178E+20 -1.380 +46050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C5H9OOH1-5=C5H9O1-5+OH +1.594E+20 -1.500 +46990.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C6H11OOH1-4=C6H11O1-4+OH +1.234E+20 -1.390 +46050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C6H11OOH1-5=C6H11O1-5+OH +1.234E+20 -1.390 +46050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C4H7O1-4=CH2O+C3H5-A +2.412E+16 -1.140 +7550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C5H9O1-4=CH3CHO+C3H5-A +7.715E+20 -2.430 +5890.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.00 9.600E+03 /
+C5H9O1-4=AC3H5CHO+CH3 +1.112E+17 -1.210 +17960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C5H9O1-5=CH2O+C4H71-4 +4.310E+17 -1.330 +17940.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-4=AC3H5CHO+C2H5 +7.268E+20 -2.100 +18870.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-4=C2H5CHO+C3H5-A +1.211E+21 -2.460 +5641.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.00 9.600E+03 /
+C6H11O1-5=C4H7CHO1-4+CH3 +2.399E+17 -1.300 +16960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-5=CH3CHO+C4H71-4 +1.999E+22 -2.580 +18530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C5H91-1=C2H2+NC3H7 +2.755E+15 -0.670 +30800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.00 7.800E+03 /
+C4H7CHO1-1+OH=C4H7CO1-1+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.203E+12 0.03 3.680E+04 /
+C4H7CHO1-1+OH=C4H6CHO1-14+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.067E+09 0.96 2.102E+04 /
+C4H7CHO1-1+OH=C4H6CHO1-13+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.251E+08 1.79 3.493E+04 /
+C4H7CHO1-1+OH=C2H5CHO+CH2CHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.076E+07 1.10 1.702E+04 /
+C4H7CHO1-1+HO2=C4H7CO1-1+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 9.165E+12 -0.30 1.787E+04 /
+C4H7CHO1-1+HO2=C4H6CHO1-14+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.317E+04 2.22 4.452E+03 /
+C4H7CHO1-1+HO2=C4H6CHO1-13+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.295E+06 2.06 1.768E+04 /
+C4H7CHO1-1+CH3O2=C4H7CO1-1+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.055E+14 -0.47 1.883E+04 /
+C4H7CHO1-1+CH3O2=C4H6CHO1-14+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.978E+13 -0.51 6.627E+03 /
+C4H7CHO1-1+CH3O2=C4H6CHO1-13+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.947E+15 -0.72 2.010E+04 /
+C4H7CO1-1=C4H71-1+CO +8.510E+20 -2.120 +40320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 4.810E+03 /
+C4H6CHO1-14=C2H4+CHCHCHO +9.050E+16 -1.330 +46870.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.140E+04 /
+C4H6CHO1-13=C4H6+HCO +8.954E+17 -1.280 +46230.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.140E+04 /
+NC3H7COC2H5+OH=C3H6COC2H5-1+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 5.173E+06 1.70 2.022E+04 /
+NC3H7COC2H5+OH=C3H6COC2H5-2+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 7.233E+05 1.92 2.176E+04 /
+NC3H7COC2H5+OH=C3H6COC2H5-3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 3.313E+13 -0.32 2.874E+04 /
+NC3H7COC2H5+OH=NC3H7COC2H4P+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.278E+11 -0.03 2.066E+04 /
+NC3H7COC2H5+OH=NC3H7COC2H4S+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 3.313E+13 -0.32 2.874E+04 /
+NC3H7COC2H5+HO2=C3H6COC2H5-1+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.539E+04 2.19 4.492E+03 /
+NC3H7COC2H5+HO2=C3H6COC2H5-2+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 6.652E+11 -0.05 8.242E+03 /
+NC3H7COC2H5+HO2=C3H6COC2H5-3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 4.654E+13 -0.65 6.200E+03 /
+NC3H7COC2H5+HO2=NC3H7COC2H4P+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.539E+04 2.19 2.692E+03 /
+NC3H7COC2H5+HO2=NC3H7COC2H4S+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 4.654E+13 -0.65 6.200E+03 /
+NC3H7COC2H5+CH3O2=C3H6COC2H5-1+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.839E+13 -0.54 6.657E+03 /
+NC3H7COC2H5+CH3O2=C3H6COC2H5-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.713E+11 -0.22 6.874E+03 /
+NC3H7COC2H5+CH3O2=C3H6COC2H5-3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.913E+15 -0.83 1.203E+04 /
+NC3H7COC2H5+CH3O2=NC3H7COC2H4P+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.839E+13 -0.54 4.862E+03 /
+NC3H7COC2H5+CH3O2=NC3H7COC2H4S+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.913E+15 -0.83 1.203E+04 /
+C3H6COC2H5-1=C2H4+C2H5COCH2 +2.218E+15 -0.840 +23590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+C3H6COC2H5-2=C3H6+C2H5CO +4.051E+16 -1.110 +26150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C3H6COC2H5-3=C2H5COC2H3+CH3 +2.915E+15 -0.680 +32300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+NC3H7COC2H4P=NC3H7CO+C2H4 +5.398E+17 -1.450 +26040.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+NC3H7COC2H4S=CH3CHCO+NC3H7 +1.973E+19 -1.490 +42860.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.060E+04 /
+CHCHCHO+OH=CH2CHO+HCO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.719E+11 0.29 3.620E+04 /
+CY13PD=CY13PD5J+H +1.000E+15 +0.000 +78000.0 ! *:_:* LLNL *:_:*
+CY13PD+O2=CY13PD5J+HO2 +5.000E+12 +0.000 +37150.0 ! *:_:* LLNL *:_:*
+CY13PD+H=CYC5H7U1 +4.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD+OH=AC3H4CH2CHO +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD+CH3=CH3CY24PD+H +8.110E+00 +3.182 +9383.0 ! *:_:* LLNL *:_:*
+CY13PD+O=C4H6+CO +1.020E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+CY13PD+H=H2+CY13PD5J +1.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+CY13PD+O=CY13PD5J+OH +6.030E+10 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+CY13PD+OH=CY13PD5J+H2O +4.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+CY13PD+HO2=CY13PD5J+H2O2 +4.000E+12 +0.000 +15900.0 ! *:_:* LLNL *:_:*
+CY13PD+HCO=CY13PD5J+CH2O +7.200E+06 +1.900 +17010.0 ! *:_:* LLNL *:_:*
+CY13PD+CH3=CH4+CY13PD5J +1.800E-01 +4.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD+C2H3=CY13PD5J+C2H4 +1.200E-01 +4.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD+C3H5-A=C3H6+CY13PD5J +6.000E+12 +0.000 +15000.0 ! *:_:* LLNL *:_:*
+CY13PD+C3H3=CY13PD5J+C3H4-A +6.000E+12 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+CY13PD+C3H3=CY13PD5J+C3H4-P +6.000E+12 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+CY13PD+NC4H5=C4H6+CY13PD5J +3.000E+12 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+CY13PD+CYC5H5OJ=CY13PD5J+CYC5H5OH +1.000E+12 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CY13PD+C6H5=C6H6+CY13PD5J +6.000E+12 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CY13PD+C6H5OJ=CY13PD5J+C6H5OH +8.000E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+CY13PD+H=CJCXCC#C+H2 +8.040E+05 +2.500 +12280.0 ! *:_:* LLNL *:_:*
+CJCXCC#C+HO2=OH+CO+NC4H5 +8.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD+C2H3=C6H6+CH3 +2.120E+67 -16.080 +42640.0 ! *:_:* LLNL *:_:*
+CY13PD5J+CH3=CH3CY24PD +2.000E+13 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+CH3CY24PD=>C6H6+H2 +1.000E+14 +0.000 +56000.0 ! *:_:* LLNL *:_:*
+2CY13PD=DICYPD +1.000E+13 +0.000 +31250.0 ! *:_:* LLNL *:_:*
+2CY13PD5J=C10H10 +2.000E+12 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+2CY13PD5J=BICPDJ+H +2.000E+12 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+CY13PD+CY13PD5J=IND+CH3 +2.000E+12 +0.000 +19000.0 ! *:_:* LLNL *:_:*
+CY13PD+CY13PD5J=C10H10+H +3.220E+15 -1.370 +16710.0 ! *:_:* LLNL *:_:*
+CY13PD+NC4H5=CR3+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+CY13PD5J=CJCXCC#C +2.000E+13 +0.000 +77000.0 ! *:_:* LLNL *:_:*
+CJCXCC#C=>C3H3+C2H2 +1.000E+13 +0.000 +38000.0 ! *:_:* LLNL *:_:*
+C3H3+CH3=C4H6 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C2H3CHO=C2H3CO+CY13PD +1.000E+13 +0.000 +8843.0 ! *:_:* LLNL *:_:*
+CY13PD5J+HO2=CYC5H5OJ+OH +8.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD5J+HO2=CPDOOH +1.990E+68 -17.170 +19570.0 ! *:_:* LLNL *:_:*
+CY13PD5J+O2=OXCCXCCJCXO +2.110E+17 -2.250 +8390.0 ! *:_:* LLNL *:_:*
+HCO+CXCCXCXO=OXCCXCCJCXO +4.000E+11 +0.000 +4100.0 ! *:_:* LLNL *:_:*
+CY13PD5J+OH=CYC5H5OH +1.240E+14 -0.570 +0.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C2H3=CPDCXC +4.820E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+OH=H2O+CH2CY24PD +1.630E+08 +1.420 +1451.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+CH3=CH4+CPDJCH3 +2.500E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+CH3=CH4+CH2CY24PD +2.500E+11 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+H=H2+CH2CY24PD +1.200E+14 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+H+FULVENE=CH2CY24PD +6.250E+11 +0.510 +2620.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+OH=H2O+CPDJCH3 +1.630E+08 +1.420 +1451.0 ! *:_:* LLNL *:_:*
+CPDJCH3=H+C6H6 +1.000E+14 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H6=CPDCXC+CH3 +1.490E+11 -0.060 +29790.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H4-P=STYR+H +1.490E+11 -0.060 +29790.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H4-A=STYR+H +1.490E+11 -0.060 +29790.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H3=STYR +2.000E+13 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+CYC6H7=C6H6+H +3.000E+13 +0.000 +28400.0 ! *:_:* LLNL *:_:*
+CYC6H7+H=C4H6+C2H2 +6.500E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC6H7=LINC6H7 +3.000E+13 +0.000 +46400.0 ! *:_:* LLNL *:_:*
+LINC6H7=NC4H5+C2H2 +5.500E+14 +0.000 +41000.0 ! *:_:* LLNL *:_:*
+CY13PD5J+O=NC4H5+CO +2.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD5J+O=CYC5H5OJ +3.200E-08 +4.710 -12990.0 ! *:_:* LLNL *:_:*
+BICPD+H=BICPDJ+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+BICPD+H=C10H9+H2 +2.000E+05 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+BICPD+O2=BICPDJ+HO2 +4.000E+13 +0.000 +37150.0 ! *:_:* LLNL *:_:*
+BICPD+OH=BICPDJ+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+BICPD+O=BICPDJ+OH +6.030E+10 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+BICPD+HO2=BICPDJ+H2O2 +4.000E+12 +0.000 +15900.0 ! *:_:* LLNL *:_:*
+BICPD+CH3=BICPDJ+CH4 +1.800E-01 +4.000 +0.0 ! *:_:* LLNL *:_:*
+BICPD+CY13PD5J=BICPDJ+CY13PD +7.900E+10 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+BICPDJ=NAPH+H +1.000E+14 +0.000 +40000.0 ! *:_:* LLNL *:_:*
+BICPDJ+O2=NAPH+HO2 +3.000E+11 +0.000 +20000.0 ! *:_:* LLNL *:_:*
+CXCCXCC+H=C4H6+CH3 +5.200E+71 -16.380 +51060.0 ! *:_:* LLNL *:_:*
+CXCCXCC+H=CXCCXCCJ+H2 +7.000E+06 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+CXCCXCC+OH=CXCCXCCJ+H2O +7.000E+06 +2.000 +0.0 ! *:_:* LLNL *:_:*
+CXCCJCXC=CXCCXCCJ +5.350E+11 -0.700 +60.0 ! *:_:* LLNL *:_:*
+CXCCJCXC+O2=C2H3CHO+CH2CHO +1.200E+36 -7.250 +33600.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+O2=C2H3CHCHO+CH2O +8.160E+10 +0.180 +9140.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+H=CXCCXCC +2.330E+20 -1.600 +3020.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+H=NC4H5+CH3 +2.910E+26 -2.180 +36770.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+OH=CXCCXCCOH +1.500E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+O=C2H3CHO+C2H3 +2.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+HO2=C2H3CHO+C2H3+OH +8.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CPDOOH=CYC5H5OJ+OH +2.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+CYPDONE+H=CO+NC4H5 +2.130E+61 -13.270 +40810.0 ! *:_:* LLNL *:_:*
+CYPDONE+H=OXCJCXCCXC +1.600E+65 -14.940 +36980.0 ! *:_:* LLNL *:_:*
+CYPDONE+O=CJXCCXCXO+HCO +1.000E+13 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+CYPDONE+OH=C3H4-A+HCO+CO +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYPDONE+OH=H2O+CPDJONE +5.300E+07 +1.420 +1451.0 ! *:_:* LLNL *:_:*
+CYPDONE+O=CPDJONE+OH +1.400E+13 +0.000 +14700.0 ! *:_:* LLNL *:_:*
+CYPDONE=2C2H2+CO +5.700E+32 -6.760 +68500.0 ! *:_:* LLNL *:_:*
+CPDJONE+O2=CO2+CJXCCXCXO +9.670E+58 -13.470 +38180.0 ! *:_:* LLNL *:_:*
+CPDJONE=>C2H2+CO+C2H +2.000E+13 +0.000 +51000.0 ! *:_:* LLNL *:_:*
+C4H6+OH=NC4H5+H2O +3.600E+06 +2.000 +2500.0 ! *:_:* LLNL *:_:*
+C4H6+O2=NC4H5+HO2 +4.000E+13 +0.000 +58200.0 ! *:_:* LLNL *:_:*
+NC4H5+C2H4=C4H6+C2H3 +6.310E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+NC4H5+H2=H+C4H6 +3.900E+09 +0.500 +3704.0 ! *:_:* LLNL *:_:*
+NC4H5+CH2O=C4H6+HCO +5.420E+03 +2.810 +5860.0 ! *:_:* LLNL *:_:*
+NC4H5+H=C4H6 +1.130E+45 -9.050 +15830.0 ! *:_:* LLNL *:_:*
+NC4H5+H=2C2H3 +3.910E+46 -8.660 +32250.0 ! *:_:* LLNL *:_:*
+NC4H5=C2H2+C2H3 +1.000E+14 +0.000 +38000.0 ! *:_:* LLNL *:_:*
+NC4H5+O2=C2H3CHO+HCO +3.320E+24 -3.670 +6190.0 ! *:_:* LLNL *:_:*
+NC4H5+C2H2=C6H6+H +1.390E+16 -1.000 +8900.0 ! *:_:* LLNL *:_:*
+C10H10+H=NC4H5+C6H6 +2.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C2H3+C4H4=C6H6+H +1.390E+16 -1.000 +8900.0 ! *:_:* LLNL *:_:*
+NC4H5=C4H4+H +1.000E+14 +0.000 +40000.0 ! *:_:* LLNL *:_:*
+C4H4+O=HCCO+C2H3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H4+OH=CH2CO+C2H3 +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H4+C2H2=C6H6 +4.470E+11 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+CXCCXCCOH+H=C4H6+CH2OH +2.500E+34 -6.120 +16250.0 ! *:_:* LLNL *:_:*
+C2H3CHCHO+HO2=>HCOHCO+C2H3+OH +3.500E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+C2H3CHCHO=>C3H5-A+CO +2.930E+12 +0.290 +40300.0 ! *:_:* LLNL *:_:*
+C2H3CHCHO+O2=C2H3CHO+OCHO +1.200E+36 -7.250 +33600.0 ! *:_:* LLNL *:_:*
+C2H2+HCCO=CJXCCXCXO +3.160E+11 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CXOCCCJCXO+O2=CXOCCCXO+OCHO +6.290E+05 +1.650 +17480.0 ! *:_:* LLNL *:_:*
+OXCCXCCXCJ=C2H2+CJXCCXO +3.000E+13 +0.000 +43710.0 ! *:_:* LLNL *:_:*
+OXCCXCCXCJ=OXCJCXCCXC +1.250E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+OXCCXCCXCJ+O2=OXCCXCCXO+HCO +5.420E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+OXCCXCCJCXO+O2=HCOHCO+CXOCJCXO +2.780E+08 -0.070 +13940.0 ! *:_:* LLNL *:_:*
+OXCCXCCJCXO+O2=OXCCXCCXO+OCHO +1.620E+09 -0.030 +18800.0 ! *:_:* LLNL *:_:*
+OXCCXCCJCXO+H=CXOCXCCJ+HCO +2.180E+58 -12.390 +33110.0 ! *:_:* LLNL *:_:*
+OXCJCXCCXC=NC4H5+CO +3.470E+12 +0.630 +27210.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+H=OXCCXCCJXO+H2 +2.640E+13 +0.000 +3300.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+O=OXCCXCCJXO+OH +1.190E+13 +0.000 +1868.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+OH=OXCCXCCJXO+H2O +1.850E+07 +1.500 -960.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+CH3=OXCCXCCJXO+CH4 +5.220E+06 +1.780 +5911.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+HO2=OXCCXCCJXO+H2O2 +6.020E+12 +0.000 +11930.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+CH3O2=OXCCXCCJXO+CH3O2H +6.020E+12 +0.000 +11930.0 ! *:_:* LLNL *:_:*
+CJXCCXO+CO=OXCCXCCJXO +1.510E+11 +0.000 +4810.0 ! *:_:* LLNL *:_:*
+CXOCXCCJ+O2=CH2O+CXOCJCXO +7.180E+49 -11.410 +39820.0 ! *:_:* LLNL *:_:*
+CXOCXCCJ+O=HCO+C2H3CHO +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CXCCCO2J=C3H5-A+CO2 +1.000E+13 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CXOCCCXO+H=H2+CXOCCCJXO +2.290E+10 +1.050 +3279.0 ! *:_:* LLNL *:_:*
+CXOCCCXO+OH=H2O+CXOCCCJXO +3.490E+09 +1.180 -447.0 ! *:_:* LLNL *:_:*
+CXOCCCJXO+O2=C2H4+DHCO2J +1.610E+45 -9.920 +20670.0 ! *:_:* LLNL *:_:*
+CH2CH2CHO+CO=CXOCCCJXO +1.500E+11 +0.000 +4800.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+OH=CJXCCXCXO+H2O +2.020E+13 +0.000 +5933.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+C6H5=CJXCCXCXO+C6H6 +2.020E+13 +0.000 +8933.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+O=C2H3CHO+CO +3.200E+13 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+H=CXCCCJXO +1.690E+07 +1.030 -550.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+H=C3H5-A+CO +6.600E+13 -0.020 +2740.0 ! *:_:* LLNL *:_:*
+CXCCCJXO=CO+C3H5-A +6.120E+05 +0.920 -1120.0 ! *:_:* LLNL *:_:*
+CXOCCXO+O=CH2CHO+OCHO +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CXOCCXO+OH=>H2O+CH2CO+HCO +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+CXOCCXO+H=>H2+CH2CO+HCO +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+CXOCCXO+HO2=>H2O2+CH2CO+HCO +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+CXOCCXO+O2=>HO2+CH2CO+HCO +2.000E+13 +0.000 +37190.0 ! *:_:* LLNL *:_:*
+CXOCJCXO+O2=HCOHCO+OCHO +4.120E+13 -0.460 +21710.0 ! *:_:* LLNL *:_:*
+CJXCCXO=C2H3CO +1.400E+09 +0.980 +32100.0 ! *:_:* LLNL *:_:*
+C2H2+HCO=CJXCCXO +7.770E+06 +1.410 +7755.0 ! *:_:* LLNL *:_:*
+CJXCCXO+O2=HCOHCO+HCO +5.420E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C3H5-A+OH=C3H4-A+H2O +6.030E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+DHCO2J=CO2+OCHO +3.000E+13 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+2HCO=HCOHCO +6.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+HCOHCO+O2=HO2+HCOCJXO +8.070E+15 +0.000 +53420.0 ! *:_:* LLNL *:_:*
+HCOHCO+OH=H2O+HCOCJXO +3.430E+09 +1.180 -447.0 ! *:_:* LLNL *:_:*
+HCOHCO+O=OH+HCOCJXO +4.160E+11 +0.570 +2762.0 ! *:_:* LLNL *:_:*
+HCOHCO+H=H2+HCOCJXO +2.290E+10 +1.050 +3279.0 ! *:_:* LLNL *:_:*
+HCOCJXO+O2=OCHO+CO2 +7.270E+25 -3.970 +6890.0 ! *:_:* LLNL *:_:*
+HCOCJXO=CO+HCO +4.200E+12 +0.000 +10800.0 ! *:_:* LLNL *:_:*
+OCHO+O=OH+CO2 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+OCHO+OH=H2O+CO2 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+2C3H3=C6H5+H +3.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+2C3H3=FULVENE +1.260E+56 -12.610 +23520.0 ! *:_:* LLNL *:_:*
+2C3H3=C6H6 +3.890E+50 -11.010 +20320.0 ! *:_:* LLNL *:_:*
+CYC5H8+H=CYC5H9 +4.110E+47 -11.490 +8490.0 ! *:_:* LLNL *:_:*
+CYC5H8+H=C3H5-A+C2H4 +1.280E+27 -4.070 +11800.0 ! *:_:* LLNL *:_:*
+CYC5H8=CYC5H7U1+H +5.000E+15 +0.000 +84170.0 ! *:_:* LLNL *:_:*
+CYC5H7U1+H2=CYC5H8+H +1.080E+05 +2.380 +19000.0 ! *:_:* LLNL *:_:*
+CYC5H7U1+O2=CXOCCCJCXO +8.000E+24 -3.800 +20000.0 ! *:_:* LLNL *:_:*
+CYC5H7U1=CXCCXCCJ +3.200E+15 +0.000 +39500.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+HO2=H2O2+CYC5H4OH +3.610E+03 +2.550 +10531.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+HO2=H2O2+CYC5H5OJ +1.000E+13 +0.000 +15800.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+OH=H2O+CYC5H4OH +5.480E+12 +0.000 +1731.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+OH=H2O+CYC5H5OJ +1.000E+13 +0.000 +1697.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+O=OH+CYC5H4OH +4.170E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+O=OH+CYC5H5OJ +1.000E+13 +0.000 +4683.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+H=H2+CYC5H4OH +3.150E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC5H5OH+H=H2+CYC5H5OJ +4.000E+13 +0.000 +6094.0 ! *:_:* LLNL *:_:*
+CYC5H4OH=CYPDONE+H +1.000E+13 +0.000 +47450.0 ! *:_:* LLNL *:_:*
+CYC5H5OJ=NC4H5+CO +1.070E+79 -19.620 +66250.0 ! *:_:* LLNL *:_:*
+CYC5H5OJ=OXCCXCCXCJ +3.000E+13 +0.000 +33000.0 ! *:_:* LLNL *:_:*
+CYC5H5OJ=CYPDONE+H +1.000E+14 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+IC4H7=CR1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CR1+H=CR2+H2 +3.160E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CR1+OH=CR2+H2O +7.000E+10 +1.000 -1100.0 ! *:_:* LLNL *:_:*
+CR1+O=CR2+OH +8.400E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+STYR+C3H5-T=CR2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+NC4H5+C4H4=STYR+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H3=C6H5C2H2+H +2.500E+12 +0.000 +6200.0 ! *:_:* LLNL *:_:*
+C6H5+C3H6=CR3+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+C3H6=STYR+CH3 +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+C3H6=CR4+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+IC4H8=CR3+CH3 +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+IC4H8=CR5+H +2.168E+12 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+CH3+C6H5C2H2=CR3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5C2H+C2H3=NAPH+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5C2H2+CY13PD=STYR+CY13PD5J +1.200E-01 +4.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5C2H2+H=STYR +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+C2H3=CR4 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+C3H5-T=CR5 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5C2H2+O2=C6H5CJO+CH2O +4.500E+16 -1.390 +1000.0 ! *:_:* LLNL *:_:*
+C6H5C2H2+C2H2=NAPH+H +2.168E+12 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+C3H4-A=C6H5CH3+C3H3 +2.000E+12 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C10H10+OH=C6H5OH+NC4H5 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C10H9+H=C10H10 +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C10H10+OH=C10H9+H2O +5.000E+06 +2.000 +0.0 ! *:_:* LLNL *:_:*
+C10H10+H=C10H9+H2 +2.000E+05 +2.500 +2500.0 ! *:_:* LLNL *:_:*
+C10H10+O=C10H9+OH +7.000E+11 +0.700 +6000.0 ! *:_:* LLNL *:_:*
+NAPH+H=C10H9 +5.000E+14 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+C6H6=C6H5+H +5.500E+38 -6.180 +132000.0 ! *:_:* LLNL *:_:*
+C6H6+O2=C6H5+HO2 +6.310E+13 +0.000 +60832.0 ! *:_:* LLNL *:_:*
+C6H6+H=C6H5+H2 +6.000E+13 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C6H6+HO2=C6H5+H2O2 +7.500E+03 +2.500 +27619.0 ! *:_:* LLNL *:_:*
+C6H6+O=C6H5+OH +1.624E+07 +2.000 +8782.0 ! *:_:* LLNL *:_:*
+C6H6+OH=C6H5+H2O +2.337E+04 +2.680 +730.0 ! *:_:* LLNL *:_:*
+C6H6+CH3=C6H5+CH4 +1.700E+00 +3.700 +9500.0 ! *:_:* LLNL *:_:*
+C6H6+H=LINC6H7 +1.220E+22 -1.870 +31200.0 ! *:_:* LLNL *:_:*
+C6H6+O=C6H5OJ+H +2.480E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+C6H6+O=C6H5OH +5.102E+13 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+C6H6+H=FULVENE+H +8.430E+32 -4.950 +51244.0 ! *:_:* LLNL *:_:*
+C6H6+OH=C6H5OH+H +8.000E+01 +3.250 +5590.0 ! *:_:* LLNL *:_:*
+C6H5+O2=C6H5O2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5O2+C6H5=2C6H5OJ +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5+O2=YOC6JDO +5.140E+39 -8.050 +28271.0 ! *:_:* LLNL *:_:*
+C6H5+O2=C6H5OJ+O +8.210E+41 -7.740 +27770.0 ! *:_:* LLNL *:_:*
+C6H5+O2=OC6H4O+H +3.000E+13 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+C6H5+HO2=C6H5OJ+OH +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OJ+O=OC6H4O+H +2.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5O2=C6H5OJ+O +7.510E+67 -15.720 +73699.0 ! *:_:* LLNL *:_:*
+C6JYOO=C6H5O2 +5.490E+80 -19.180 +75390.0 ! *:_:* LLNL *:_:*
+C6JYOO=YOC6JDO +1.510E+80 -19.210 +75405.0 ! *:_:* LLNL *:_:*
+CXCC(C#C)XC=FULVENE +4.900E+26 -4.140 +65420.0 ! *:_:* LLNL *:_:*
+CXCC(C#C)XC=C6H6 +2.820E+51 -10.680 +107000.0 ! *:_:* LLNL *:_:*
+CXCC(C#C)XC=C6H5+H +3.090E+43 -7.930 +118700.0 ! *:_:* LLNL *:_:*
+FULVENE=C6H6 +2.950E+31 -4.970 +88470.0 ! *:_:* LLNL *:_:*
+FULVENE=C6H5+H +8.510E+24 -2.510 +113300.0 ! *:_:* LLNL *:_:*
+FULVENE+H=FULVENYL+H2 +3.030E+02 +3.300 +5690.0 ! *:_:* LLNL *:_:*
+FULVENE+OH=FULVENYL+H2O +1.630E+08 +1.420 +1454.0 ! *:_:* LLNL *:_:*
+FULVENYL+H=C6H5+H +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+FULVENYL+O2=CYPDONE+HCO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+2C6H5=C12H10 +2.000E+19 -2.100 +2900.0 ! *:_:* LLNL *:_:*
+C6H5+C6H6=C12H10+H +3.980E+11 +0.000 +3993.7 ! *:_:* LLNL *:_:*
+C6H5OH+O2=C6H5OJ+HO2 +3.000E+13 +0.000 +37000.0 ! *:_:* LLNL *:_:*
+C6H5OH+H=C6H5OJ+H2 +1.200E+14 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+C6H5OH+O=C6H5OJ+OH +1.300E+13 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+C6H5OH+OH=C6H5OJ+H2O +3.000E+06 +2.000 -1310.0 ! *:_:* LLNL *:_:*
+C6H5OH+HO2=C6H5OJ+H2O2 +1.000E+12 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+C6H5OH+CH3=C6H5OJ+CH4 +1.810E+11 +0.000 +9010.0 ! *:_:* LLNL *:_:*
+C6H5OH+C2H3=C6H5OJ+C2H4 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OH+NC4H5=C6H5OJ+C4H6 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OH+C6H5=C6H5OJ+C6H6 +4.900E+12 +0.000 +4400.0 ! *:_:* LLNL *:_:*
+C6H5OH+H=C6H4OH+H2 +1.899E+07 +2.000 +9696.0 ! *:_:* LLNL *:_:*
+C6H5OH+O=C6H4OH+OH +2.000E+13 +0.000 +14700.0 ! *:_:* LLNL *:_:*
+C6H5OH+OH=C6H4OH+H2O +2.337E+04 +2.680 +730.0 ! *:_:* LLNL *:_:*
+C6H5OH+CH3=C6H4OH+CH4 +1.700E+00 +3.700 +9500.0 ! *:_:* LLNL *:_:*
+C6H5OH+HO2=C6H4OH+H2O2 +9.200E+12 +0.000 +28810.0 ! *:_:* LLNL *:_:*
+C6H4OH+O2=OC6H4O+OH +3.000E+29 -4.720 +15600.0 ! *:_:* LLNL *:_:*
+C6H5OJ+C6H5CH3=C6H5OH+C6H5CH2J +1.600E+12 +0.000 +15100.0 ! *:_:* LLNL *:_:*
+C6H5OJ=CY13PD5J+CO +4.000E+11 +0.000 +43900.0 ! *:_:* LLNL *:_:*
+C6H5OJ=CJCXCC#C+CO +5.000E+12 +0.000 +58000.0 ! *:_:* LLNL *:_:*
+C6H5OJ+H=C6H5OH +1.500E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OJ+HO2=RODC6JDO+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OJ+CH3O2=RODC6JDO+CH3O +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+RODC6JDO=OC6H4O+H +1.000E+14 +0.000 +29100.0 ! *:_:* LLNL *:_:*
+OC6H4O=CYPDONE+CO +3.700E+11 +0.000 +59000.0 ! *:_:* LLNL *:_:*
+OC6H4O+H=>CO+C2H3CO+C2H2 +2.500E+13 +0.000 +4700.0 ! *:_:* LLNL *:_:*
+OC6H4O+O=>CO+HCCO+C2H3CO +2.480E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+ DUP
+OC6H4O+O=>CO+HCCO+C2H3CO +1.400E+13 +0.000 +14700.0 ! *:_:* LLNL *:_:*
+ DUP
+OC6H4O+OH=>HCO+C2H3CO+HCCO +1.000E+06 +2.000 +4000.0 ! *:_:* LLNL *:_:*
+C6H5(+M)=C6H4+H(+M) +4.300E+12 +0.600 +77300.0 ! *:_:* LLNL *:_:*
+ LOW / 1.00E+84 -18.87 90100.0/
+ TROE/ 0.902 696.0 358.0 3856.0/
+C4H2+C2H2=C6H4 +1.400E+07 +1.400 +25410.0 ! *:_:* LLNL *:_:*
+C2H+C2H2=C4H2+H +1.940E+13 +0.238 -73.5 ! *:_:* LLNL *:_:*
+YOC6JDO=RODC6JDO +1.000E+13 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C6H5+OH=C6H5OH +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5+O=CJCXCC#C+CO +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC6H7+O2=C6H6+HO2 +7.900E+11 +0.000 +9900.0 ! *:_:* LLNL *:_:*
+CYC6H7+H=C6H6+H2 +3.300E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC6H7+OH=C6H6+H2O +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+OXCCXCCXCJ+CO=RODC6JDO +1.510E+11 +0.000 +4810.0 ! *:_:* LLNL *:_:*
+CYPDONE+HCO=RODC6JDO +4.000E+11 +0.000 +4100.0 ! *:_:* LLNL *:_:*
+C6H5+C2H5=C6H5C2H5 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+CY13PD=CY13PD5J+C6H5CH3 +7.900E+10 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+C6H5CH3=C6H5+CH3 +2.660E+16 +0.000 +97830.4 ! *:_:* LLNL *:_:*
+C6H5CH3=C6H5CH2J+H +1.090E+15 +0.000 +87463.4 ! *:_:* LLNL *:_:*
+C6H4CH3+H=C6H5CH3 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH3+H=C6H6+CH3 +5.780E+13 +0.000 +8088.0 ! *:_:* LLNL *:_:*
+C6H5OH+CH3=C6H5CH3+OH +4.000E+11 +0.000 +7700.0 ! *:_:* LLNL *:_:*
+C6H5CH3+OH=HOC6H4CH3+H +8.000E+01 +3.250 +5590.0 ! *:_:* LLNL *:_:*
+C6H5CH3+O2=C6H5CH2J+HO2 +2.180E+07 +2.500 +46045.0 ! *:_:* LLNL *:_:*
+C6H5CH3+H=C6H5CH2J+H2 +6.470E+00 +3.980 +3384.0 ! *:_:* LLNL *:_:*
+C6H5CH3+O=C6H5CH2J+OH +6.000E+10 +0.700 +7632.0 ! *:_:* LLNL *:_:*
+C6H5CH3+OH=C6H5CH2J+H2O +1.770E+05 +2.394 -601.8 ! *:_:* LLNL *:_:*
+C6H5CH3+HO2=C6H5CH2J+H2O2 +7.000E+02 +3.000 +12000.0 ! *:_:* LLNL *:_:*
+C6H5CH3+CH3O2=C6H5CH2J+CH3O2H +1.020E+04 +2.500 +12339.3 ! *:_:* LLNL *:_:*
+C6H5CH3+CH3=C6H5CH2J+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+C6H5CH3+CH3O=C6H5CH2J+CH3OH +2.120E+10 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C2H3=C6H5CH2J+C2H4 +2.210E+00 +3.500 +4680.0 ! *:_:* LLNL *:_:*
+C6H5CH3+HCO=C6H5CH2J+CH2O +3.770E+13 +0.000 +23787.4 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H5CH2OJ=C6H5CH2J+C6H5CH2OH +1.600E+11 +0.000 +11100.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH +1.020E+03 +2.500 +12339.3 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H4CH3=C6H5CH2J+C6H5CH3 +7.940E+12 +0.000 +11949.0 ! *:_:* LLNL *:_:*
+C6H5CH3+OC6H4CH3=C6H5CH2J+HOC6H4CH3 +1.600E+11 +0.000 +15100.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H5=C6H5CH2J+C6H6 +7.940E+12 +0.000 +11949.0 ! *:_:* LLNL *:_:*
+C3H4-A+NC4H3=C6H5CH2J +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+O2=C6H5CH2OOJ +1.382E+41 -9.440 +9020.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ=C6H5CHO+OH +4.000E+76 -19.960 +64725.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ=C6H5OJ+CH2O +1.700E+76 -19.960 +64725.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ+H=C6H5CH2OOH +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ+HO2=C6H5CH2OOH+O2 +2.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ+HO2=>C6H5CH2OJ+OH+O2 +6.300E+10 +0.000 -720.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ+CH3O2=>C6H5CH2OJ+CH3O+O2 +6.300E+10 +0.000 -720.0 ! *:_:* LLNL *:_:*
+2C6H5CH2OOJ=>2C6H5CH2OJ+O2 +6.300E+10 +0.000 -720.0 ! *:_:* LLNL *:_:*
+2C6H5CH2OOJ=>C6H5CH2OH+C6H5CHO+O2 +6.300E+10 +0.000 -720.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOH=C6H5CH2OJ+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+OH=C6H5CH2OH +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+O=C6H5CHO+H +1.510E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+O=C6H5+CH2O +2.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+HO2=C6H5CH2OJ+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+CH3O2=C6H5CH2OJ+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+O2=HO2+C6H5CHOH +1.400E+12 +0.000 +34000.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+O2=HO2+C6H5CH2OJ +2.000E+14 +0.000 +55400.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+OH=C6H5OH+CH2OH +2.610E+14 -0.670 +1710.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+OH=C6H5CHOH+H2O +3.900E+09 +1.000 -1100.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+OH=C6H5CH2OJ+H2O +3.900E+09 +1.000 -1100.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+H=C6H6+CH2OH +5.300E+13 +0.000 +8100.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+H=C6H5CHOH+H2 +4.300E+00 +3.980 +3384.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+O=C6H5CHOH+OH +4.200E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+O=C6H5OJ+CH2OH +1.700E+13 +0.000 +3600.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+O=C6H5CH2OJ+OH +4.200E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+HO2=C6H5CHOH+H2O2 +2.700E+11 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 +2.700E+11 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH=C6H5CH2OJ+H +5.000E+13 +0.000 +104069.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH=C6H5+CH2OH +5.000E+13 +0.000 +101225.0 ! *:_:* LLNL *:_:*
+C6H5CHOH=C6H5CHO+H +5.000E+13 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+C6H5CHOH+O2=C6H5CHO+HO2 +3.810E+06 +2.000 +1641.0 ! *:_:* LLNL *:_:*
+C6H5CHOH+H=C6H5CH2OH +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CHOH+OH=C6H5CHO+H2O +3.440E+09 +1.180 -447.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+O2=HO2+C6H5CHO +6.600E+10 +0.000 +2200.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ=C6H5CHO+H +1.000E+14 +0.000 +29100.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ=C6H5+CH2O +1.464E+20 -1.970 +35090.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+H=C6H5CHO+H2 +4.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+OH=C6H5CHO+H2O +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+HO2=C6H5CHO+H2O2 +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+CH3=C6H5CHO+CH4 +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+C6H5CH2J=C6H5CHO+C6H5CH3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5+HCO=C6H5CHO +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CHO+OH=H2O+C6H5CJO +3.440E+09 +1.180 -447.0 ! *:_:* LLNL *:_:*
+C6H5CHO+H=H2+C6H5CJO +7.470E+00 +3.980 +1384.0 ! *:_:* LLNL *:_:*
+C6H5CHO=C6H5CJO+H +4.000E+15 +0.000 +83700.0 ! *:_:* LLNL *:_:*
+C6H5CHO+O=C6H5CJO+OH +6.000E+12 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+C6H5CHO+O2=C6H5CJO+HO2 +7.000E+11 +0.000 +39500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+HO2=C6H5CJO+H2O2 +7.000E+02 +3.000 +10000.0 ! *:_:* LLNL *:_:*
+C6H5CHO+CH3=C6H5CJO+CH4 +2.000E-06 +5.600 +1500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H5=C6H5CJO+C6H6 +2.000E+01 +3.510 +3743.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3 +1.600E+12 +0.000 +13100.0 ! *:_:* LLNL *:_:*
+C6H5CJO=C6H5+CO +1.370E+21 -2.179 +39410.0 ! *:_:* LLNL *:_:*
+C6H5CJO+HO2=C6H5+CO2+OH +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5C2H4P+H=C6H5C2H5 +3.610E+13 +0.000 +83600.0 ! *:_:* LLNL *:_:*
+C6H5C2H4S+H=C6H5C2H5 +5.000E+13 +0.000 +83600.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+O2=C6H5C2H4P+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+O2=C6H5C2H4S+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+H=C6H5C2H4P+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+H=C6H5C2H4S+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+H=C6H6+C2H5 +9.500E+05 +2.000 +943.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+OH=C6H5C2H4P+H2O +5.270E+09 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+OH=C6H5C2H4S+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+O=C6H5C2H4P+OH +2.092E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+O=C6H5C2H4S+OH +3.500E+11 +0.700 +5882.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+CH3=C6H5C2H4P+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+CH3=C6H5C2H4S+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+HO2=C6H5C2H4P+H2O2 +2.040E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+HO2=C6H5C2H4S+H2O2 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+CH3O2=C6H5C2H4P+CH3O2H +6.930E-01 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+CH3O2=C6H5C2H4S+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+C6H5CH2OOJ=C6H5C2H4P+C6H5CH2OOH +1.020E+03 +2.500 +19539.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+C6H5CH2OOJ=C6H5C2H4S+C6H5CH2OOH +6.800E+02 +2.500 +12339.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+C2H5=C6H5C2H4P+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+C2H5=C6H5C2H4S+C2H6 +6.700E+10 +0.000 +9800.0 ! *:_:* LLNL *:_:*
+C6H5C2H4P+O2=HO2+STYR +7.561E+14 -1.010 +4749.0 ! *:_:* LLNL *:_:*
+C6H5C2H4S+O2=HO2+STYR +7.561E+14 -1.010 +4749.0 ! *:_:* LLNL *:_:*
+C6H5C2H4P+HO2=OH+CH2O+C6H5CH2J +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+C6H5C2H4S+HO2=OH+CH3CHO+C6H5 +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5+C2H4=C6H5C2H4P +2.000E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+STYR+H=C6H5C2H4S +4.240E+11 +0.510 +1230.0 ! *:_:* LLNL *:_:*
+STYR+H=C6H5C2H4P +2.500E+11 +0.510 +2620.0 ! *:_:* LLNL *:_:*
+C14H14=STYLBEN+H2 +5.000E+12 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+STYLBEN=PHENA+H2 +5.000E+12 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+C14H14+O=C6H5CH2J+C6H6+CO+H +4.960E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+C14H14=C14H13+H +2.750E+15 +0.000 +86000.0 ! *:_:* LLNL *:_:*
+C14H14+H=C14H13+H2 +6.470E+00 +3.980 +3384.0 ! *:_:* LLNL *:_:*
+C14H14+O2=C14H13+HO2 +2.800E+12 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C14H14+O=C14H13+OH +8.400E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C14H14+OH=C14H13+H2O +7.000E+09 +1.000 -1100.0 ! *:_:* LLNL *:_:*
+C14H14+HO2=C14H13+H2O2 +5.400E+11 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C14H14+CH3=C14H13+CH4 +2.200E+12 +0.000 +9100.0 ! *:_:* LLNL *:_:*
+C14H14+C6H5CH2J=C14H13+C6H5CH3 +2.200E+11 +0.000 +9100.0 ! *:_:* LLNL *:_:*
+C14H14+C6H5=C14H13+C6H6 +1.060E+14 +0.000 +9949.0 ! *:_:* LLNL *:_:*
+C14H14+C6H5OJ=C14H13+C6H5OH +5.430E+12 +0.000 +20923.0 ! *:_:* LLNL *:_:*
+C14H13=STYLBEN+H +1.000E+13 +0.000 +38864.0 ! *:_:* LLNL *:_:*
+STYR+C6H5=C14H13 +2.000E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+C14H13+O2=C14H13OO +1.382E+41 -9.440 +9020.0 ! *:_:* LLNL *:_:*
+C14H13OO=STYLBEN+HO2 +1.040E+38 -8.110 +37500.0 ! *:_:* LLNL *:_:*
+C6H5CH2J=>C7H6+H +8.770E+34 -5.845 +96390.0 ! *:_:* LLNL *:_:*
+C6H5CH3+H=C6H4CH3+H2 +1.899E+07 +2.000 +9696.0 ! *:_:* LLNL *:_:*
+C6H5CH3+O=C6H4CH3+OH +2.000E+13 +0.000 +14700.0 ! *:_:* LLNL *:_:*
+C6H5CH3+OH=C6H4CH3+H2O +2.337E+04 +2.680 +730.0 ! *:_:* LLNL *:_:*
+C6H5CH3+CH3=C6H4CH3+CH4 +1.700E+00 +3.700 +9500.0 ! *:_:* LLNL *:_:*
+C6H5CH3+HO2=C6H4CH3+H2O2 +9.200E+12 +0.000 +28810.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O2=>O2C6H4CH3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=>C6H4CH3+O2 +6.360E+19 -1.370 +48700.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O2=OC6H4CH3+O +7.270E+29 -4.720 +15600.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O2=OC6H4CH2+OH +4.350E+23 -3.360 +8980.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O2=RODC6J(C)DO +1.024E+25 -3.540 +8780.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=>OC6H4CH3+O +1.640E+43 -8.820 +50880.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=OC6H4CH2+OH +5.350E+43 -9.500 +43440.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=RODC6J(C)DO +6.640E+46 -10.160 +44320.0 ! *:_:* LLNL *:_:*
+OC6H4CH2=C6H6+CO +6.310E+14 +0.000 +67160.0 ! *:_:* LLNL *:_:*
+OC6H4CH3=H+C6H6+CO +7.600E+11 +0.000 +43800.0 ! *:_:* LLNL *:_:*
+OC6H4CH3+HO2=OC6H4O+CH3+OH +7.600E+11 +0.000 +43800.0 ! *:_:* LLNL *:_:*
+C6H4CH3+H=C6H5CH2J+H +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O=OC6H4CH3 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H4CH3+OH=HOC6H4CH3 +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H4CH3+HO2=OC6H4CH3+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+OC6H4CH3+H=HOC6H4CH3 +2.500E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+O2=OC6H4CH3+HO2 +1.000E+13 +0.000 +38900.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+O2=HOC6H4CH2+HO2 +2.100E+12 +0.000 +39700.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+H=C6H5OH+CH3 +5.800E+13 +0.000 +8100.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+H=OC6H4CH3+H2 +1.200E+14 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+O=OC6H4CH3+OH +1.300E+13 +0.000 +2900.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+OH=OC6H4CH3+H2O +1.400E+08 +1.400 -960.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+HO2=OC6H4CH3+H2O2 +1.000E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+CH3=OC6H4CH3+CH4 +1.800E+11 +0.000 +7700.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H5=OC6H4CH3+C6H6 +4.900E+12 +0.000 +4400.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+CY13PD5J=OC6H4CH3+CY13PD +4.900E+11 +0.000 +9400.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H5OJ=OC6H4CH3+C6H5OH +4.900E+11 +0.000 +9400.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+H=HOC6H4CH2+H2 +1.200E+14 +0.000 +8400.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+O=HOC6H4CH2+OH +6.300E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+OH=HOC6H4CH2+H2O +5.200E+09 +1.000 +870.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+HO2=HOC6H4CH2+H2O2 +4.000E+11 +0.000 +14000.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+CH3=HOC6H4CH2+CH4 +1.600E+12 +0.000 +11100.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C3H3=HOC6H4CH2+C3H4-P +1.600E+12 +0.000 +15100.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+CY13PD5J=HOC6H4CH2+CY13PD +1.600E+11 +0.000 +15100.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H5=HOC6H4CH2+C6H6 +7.900E+13 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H5OJ=HOC6H4CH2+C6H5OH +1.600E+11 +0.000 +15100.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H4CH3=HOC6H4CH2+C6H5CH3 +7.900E+13 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+OC6H4CH3=HOC6H4CH2+HOC6H4CH3 +1.600E+11 +0.000 +15100.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH +4.000E+11 +0.000 +14000.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH +1.600E+11 +0.000 +11100.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2+O2=HOC6H4CH2OO +4.600E+11 +0.000 -380.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2+O2=HOC6H4CH2O+O +6.300E+12 +0.000 +40000.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2+H=HOC6H4CH3 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2+HO2=HOC6H4CH2OOH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2+CH3=C6H5OH+C2H4 +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2OO=HOC6H4CHO+OH +3.400E+09 +1.000 +37500.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2O=H+HOC6H4CHO +2.000E+13 +0.000 +27500.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2O=C6H4OH+CH2O +2.000E+13 +0.000 +27500.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2O+O2=HO2+HOC6H4CHO +6.000E+10 +0.000 +1600.0 ! *:_:* LLNL *:_:*
+HOC6H4CHO+H=HOC6H4CO+H2 +4.000E+13 +0.000 +3200.0 ! *:_:* LLNL *:_:*
+HOC6H4CHO+O=HOC6H4CO+OH +6.000E+12 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+HOC6H4CHO+OH=HOC6H4CO+H2O +7.800E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+HOC6H4CHO+HO2=HOC6H4CO+H2O2 +3.000E+12 +0.000 +11000.0 ! *:_:* LLNL *:_:*
+HOC6H4CHO+CH3=HOC6H4CO+CH4 +2.000E-06 +5.600 +1500.0 ! *:_:* LLNL *:_:*
+HOC6H4CO=C6H5OJ+CO +4.000E+14 +0.000 +29500.0 ! *:_:* LLNL *:_:*
+C6H5CH3+O=OC6H4CH3+H +2.480E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+CH3=C6H5C2H5 +1.200E+13 +0.000 +200.0 ! *:_:* LLNL *:_:*
+C6H4CH3+CH3=XYLENE +1.200E+06 +1.960 -3700.0 ! *:_:* LLNL *:_:*
+2C6H5CH2J=C14H14 +1.000E+13 +0.000 +454.0 ! *:_:* LLNL *:_:*
+C2H+CY13PD5J=C7H6 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+NC4H3+C3H3=C7H6 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C14H13+HO2=C6H5CH2J+C6H5CHO+OH +1.920E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+STYR+O2=HO2+C6H5C2H2 +2.000E+13 +0.000 +57900.0 ! *:_:* LLNL *:_:*
+STYR+O=C6H5+CH2CHO +3.000E+08 +1.450 +900.0 ! *:_:* LLNL *:_:*
+STYR+OH=C6H5CH2J+CH2O +1.400E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+STYR+OH=C6H5CHO+CH3 +2.800E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+STYR+H=C6H5C2H2+H2 +6.600E+05 +2.530 +9200.0 ! *:_:* LLNL *:_:*
+STYR+OH=C6H5C2H2+H2O +1.500E+06 +2.000 +400.0 ! *:_:* LLNL *:_:*
+C6H5+C2H2=C6H5C2H2 +2.700E+06 +2.050 +3720.0 ! *:_:* LLNL *:_:*
+C6H6+C2H3=STYR+H +5.000E+12 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+STYLBEN+O2=HO2+PHCCHPH +4.000E+13 +0.000 +58200.0 ! *:_:* LLNL *:_:*
+STYLBEN+H=PHCCHPH+H2 +8.420E-03 +4.620 +2583.0 ! *:_:* LLNL *:_:*
+STYLBEN+OH=PHCCHPH+H2O +2.020E+13 +0.000 +5955.0 ! *:_:* LLNL *:_:*
+STYLBEN+O=C6H5CJO+C6H5CH2J +7.950E+03 +1.660 +657.4 ! *:_:* LLNL *:_:*
+PHCCHPH=PHENA+H +3.000E+13 +0.000 +28890.0 ! *:_:* LLNL *:_:*
+PHCCHPH+O2=C6H5CJO+C6H5CHO +1.700E+29 -5.310 +6500.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC+CO=RODC6J(C)DO +1.510E+11 +0.000 +4810.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC=>C2H2+HCO+C3H4-P +3.000E+13 +0.000 +43710.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC=>C2H2+CO+C3H5-S +1.370E+21 -2.179 +39410.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC+O2=OXCCXCCXO+CH3CO +5.420E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-3=C6H5CH2J+C6H12-1 +1.000E+13 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-4=C6H5CH2J+C6H12-1 +5.000E+12 +0.000 +10800.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-5=C6H5CH2J+C6H12-1 +5.000E+12 +0.000 +10800.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-6=C6H5CH2J+C6H12-1 +5.000E+12 +0.000 +9800.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-3=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +11500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-4=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +7500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-5=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +7500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-6=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +6500.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+AC8H17 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+BC8H17 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+CC8H17 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+DC8H17 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+AC8H17 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+BC8H17 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+CC8H17 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+DC8H17 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=AC8H17+C7H15O2H-1 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=AC8H17+C7H15O2H-2 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=AC8H17+C7H15O2H-3 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=AC8H17+C7H15O2H-4 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=BC8H17+C7H15O2H-1 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=BC8H17+C7H15O2H-2 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=BC8H17+C7H15O2H-3 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=BC8H17+C7H15O2H-4 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=CC8H17+C7H15O2H-1 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=CC8H17+C7H15O2H-2 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=CC8H17+C7H15O2H-3 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=CC8H17+C7H15O2H-4 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=DC8H17+C7H15O2H-1 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=DC8H17+C7H15O2H-2 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=DC8H17+C7H15O2H-3 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=DC8H17+C7H15O2H-4 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=AC8H17+XC7H15O2H +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=AC8H17+YC7H15O2H +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=AC8H17+ZC7H15O2H +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=BC8H17+XC7H15O2H +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=BC8H17+YC7H15O2H +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=BC8H17+ZC7H15O2H +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=CC8H17+XC7H15O2H +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=CC8H17+YC7H15O2H +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=CC8H17+ZC7H15O2H +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=DC8H17+XC7H15O2H +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=DC8H17+YC7H15O2H +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=DC8H17+ZC7H15O2H +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C7H16-24=AC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C7H16-24=AC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C7H16-24=AC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C7H16-24=BC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C7H16-24=BC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C7H16-24=BC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C7H16-24=CC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C7H16-24=CC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C7H16-24=CC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C7H16-24=DC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C7H16-24=DC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C7H16-24=DC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=NC7H15+AC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=NC7H15+BC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=NC7H15+CC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=NC7H15+DC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=OC7H15+AC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=OC7H15+BC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=OC7H15+CC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=OC7H15+DC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=PC7H15+AC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=PC7H15+BC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=PC7H15+CC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=PC7H15+DC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=QC7H15+AC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=QC7H15+BC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=QC7H15+CC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=QC7H15+DC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +11900.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +17400.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +11900.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+2C2H3=C3H3+CH3 +1.800E+13 +0.000 +0.0 ! *:_:* AA *:_:* CJP 091699 ADJ
+C2H+CH3=C3H3+H +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2004 MM /3
+C3H2+C3H3=O-C6H4+H +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C3H3+OH=CH2O+C2H2 +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007
+C3H3+OH=C2H3+HCO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007
+C3H3+OH=C2H4+CO +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007 !!MM X2
+C3H3+OH=C3H2(S)+H2O +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007
+C3H3+CH=NC4H3+H +7.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C4H4+OH=CH2O+C3H3 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C3H3+H=C3H2(S)+H2 +2.951E+09 +1.280 +13474.0 ! *:_:* AA *:_:* BPICK JUL03
+ PLOG /0.03947 2.9512E+09 1.28 13474./
+ PLOG /1. 1.0965E+10 1.13 13929./
+ PLOG /10. 3.3113E+13 0.195 17579./
+C3H3+H=CC3H4 +8.912E+112 -28.260 +83611.0 ! *:_:* AA *:_:* BPICK JUL03
+ PLOG /0.03947 8.9125E+112 -28.26 83611./
+ PLOG /1. 1.0715E+21 -2.95 2687./
+ PLOG /10. 3.2359E+18 -2.05 2053./
+C4H5-2+OH=CH2OH+C3H3 +3.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C4H5-2+O=CH2O+C3H3 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C4H6+C3H3=C4H5-2+C3H4-A +5.000E+12 +0.000 +19500.0 ! *:_:* AA *:_:* LASKINET AL. 2000
+C3H3+C3H5-A=>FULVENE+2H +3.260E+29 -5.397 +3390.0 ! *:_:* AA *:_:* JAM, YG, ET AL 2007
+C3H3+C6H5CH2J=NAPH+2H +6.030E+11 +0.000 +0.0 ! *:_:* AA *:_:* !! CST-NEW
+NC4H3+C2H3=2C3H3 +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM6
+C4H5-2+C2H=2C3H3 +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM6
+C4H5+C3H3=C6H5CH2J+H +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM (MARINOV)
+C4H5+C3H3=C6H5CH3 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM( MARINOV)
+C4H2+OH=CO+C3H3 +2.580E+19 -2.440 +3034.0 ! *:_:* AA *:_:* PROC COMB INST 31 185-193 (2007)
+H+O2(+AR)=HO2(+AR) +4.650E+12 +0.440 +0.0 ! *:_:* AA *:_:*
+ LOW/ 6.810E+018 -1.200 0.0/
+ TROE/ 7.000E-001 1.000E-030 1.000E+030 1.000E+030/
+H+O2(+HE)=HO2(+HE) +4.650E+12 +0.440 +0.0 ! *:_:* AA *:_:*
+ LOW/ 9.192E+018 -1.200 0.0/
+ TROE/ 5.900E-001 1.000E-030 1.000E+030 1.000E+030/
+H2O2(+H2O)=2OH(+H2O) +2.000E+12 +0.900 +48749.0 ! *:_:* AA *:_:*
+ LOW/ 1.865E+025 -2.300 48749.0/
+ TROE/ 5.100E-001 1.000E-030 1.000E+030/
+H+CO2=OCHO +7.500E+13 +0.000 +29000.0 ! *:_:* AA *:_:*
+H+O+M=OH*+M +1.500E+13 +0.000 +5975.0 ! *:_:* AA *:_:*
+ H2/ 1.00/ H2O/ 6.50/ O2/ 0.40/ N2/ 0.40/ AR/ 0.35/
+OH*+H2O=OH+H2O +5.930E+12 +0.500 -860.0 ! *:_:* AA *:_:*
+OH*+H2=OH+H2 +2.950E+12 +0.500 -444.0 ! *:_:* AA *:_:*
+OH*+N2=OH+N2 +1.080E+11 +0.500 -1242.0 ! *:_:* AA *:_:*
+OH*+OH=2OH +6.010E+12 +0.500 -764.0 ! *:_:* AA *:_:*
+OH*+H=OH+H +1.310E+12 +0.500 -167.0 ! *:_:* AA *:_:*
+OH*+AR=OH+AR +1.690E+12 +0.000 +4135.0 ! *:_:* AA *:_:*
+OH*=OH +1.450E+06 +0.000 +0.0 ! *:_:* AA *:_:*
+OH*+O2=OH+O2 +2.100E+12 +0.500 -478.0 ! *:_:* AA *:_:*
+OH*+CO2=OH+CO2 +2.750E+12 +0.500 -968.0 ! *:_:* AA *:_:*
+OH*+CO=OH+CO +3.230E+12 +0.500 -787.0 ! *:_:* AA *:_:*
+OH*+CH4=OH+CH4 +3.360E+12 +0.500 -635.0 ! *:_:* AA *:_:*
+CH+O2=CO+OH* +4.040E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+O=CO+CH* +6.200E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C+H+M=CH*+M +6.000E+14 +0.000 +6940.0 ! *:_:* AA *:_:*
+C2H+O2=CO2+CH* +2.170E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+CH*+AR=CH+AR +4.000E+11 +0.500 +0.0 ! *:_:* AA *:_:*
+CH*+H2O=CH+H2O +5.300E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH*+CO=CH+CO +2.440E+12 +0.500 +0.0 ! *:_:* AA *:_:*
+CH*+CO2=CH+CO2 +2.410E-01 +4.300 -1694.0 ! *:_:* AA *:_:*
+CH*+O2=CH+O2 +2.480E+06 +2.140 -1720.0 ! *:_:* AA *:_:*
+CH*+H2=CH+H2 +1.470E+14 +0.000 +1361.0 ! *:_:* AA *:_:*
+CH*+CH4=CH+CH4 +1.730E+13 +0.000 +167.0 ! *:_:* AA *:_:*
+CH*=CH +1.860E+06 +0.000 +0.0 ! *:_:* AA *:_:*
+CH*+N2=CH+N2 +3.030E+02 +3.400 -381.0 ! *:_:* AA *:_:*
+CH3OH(+M)=CH2(S)+H2O(+M) +3.121E+18 -1.017 +91712.0 ! *:_:* AA *:_:*
+ LOW/ 1.430E+047 -8.227 99417.1/
+ TROE/ 2.545E+000 3.290E+003 4.732E+004 4.711E+004/
+CH3+OH=HCOH+H2 +8.674E+08 +0.787 -3046.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 8.674E+008 0.787 -3046.0/
+ PLOG/ 0.1000 3.115E+009 0.630 -2669.0/
+ PLOG/ 1.0000 1.557E+011 0.156 -1368.0/
+ PLOG/ 10.0000 1.704E+021 -2.641 6412.0/
+ PLOG/ 100.0000 7.250E+020 -2.402 9639.0/
+HCOH+OH=HCO+H2O +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+H=CH2O+H +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O=>CO2+2H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O=>CO+OH+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O2=>CO2+H+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O2=CO2+H2O +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+N2=CH2+N2 +1.500E+13 +0.000 +600.0 ! *:_:* AA *:_:*
+CH2(S)+AR=CH2+AR +9.000E+12 +0.000 +600.0 ! *:_:* AA *:_:*
+CH2(S)+O=CO+H2 +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+O=HCO+H +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+O2=CO+H2O +1.200E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+H2O=CH2+H2O +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+CO=CH2+CO +9.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+CO2=CH2+CO2 +7.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2+O2=HCO+OH +1.060E+13 +0.000 +1500.0 ! *:_:* AA *:_:*
+CH3CHO(+M)=CH3+HCO(+M) +2.450E+22 -1.740 +86355.0 ! *:_:* AA *:_:*
+ LOW/ 1.030E+059 -11.300 95912.5/
+ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/
+CH3CHO(+M)=CH4+CO(+M) +2.720E+21 -1.740 +86355.0 ! *:_:* AA *:_:*
+ LOW/ 1.144E+058 -11.300 95912.5/
+ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/
+CH3CHO+H=CH2CHO+H2 +2.720E+03 +3.100 +5210.0 ! *:_:* AA *:_:*
+CH2CHO(+M)=CH2CO+H(+M) +1.430E+15 -0.150 +45600.0 ! *:_:* AA *:_:*
+ LOW/ 6.000E+029 -3.800 43423.9/
+ TROE/ 9.850E-001 3.930E+002 9.800E+009 5.000E+009/
+CH2CHO(+M)=CH3+CO(+M) +2.930E+12 +0.290 +40300.0 ! *:_:* AA *:_:*
+ LOW/ 9.520E+033 -5.070 41300.0/
+ TROE/ 7.130E-017 1.150E+003 4.990E+009 1.790E+009/
+CH2CHO+O2=O2CH2CHO +1.580E+77 -21.900 +19350.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.580E+077 -21.900 19350.0/
+ PLOG/ 0.1000 3.880E+069 -18.840 19240.0/
+ PLOG/ 1.0000 7.800E+059 -15.400 17650.0/
+ PLOG/ 10.0000 3.050E+050 -12.200 15630.0/
+CH2CHO+O2=CH2CO+HO2 +1.880E+05 +2.370 +23730.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.880E+005 2.370 23730.0/
+ PLOG/ 0.1000 1.880E+005 2.370 27370.0/
+ PLOG/ 1.0000 2.510E+005 2.330 23800.0/
+ PLOG/ 10.0000 7.050E+007 1.630 25290.0/
+CH2CHO+O2=HO2CH2CO +3.640E+65 -21.870 +19020.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 3.640E+065 -21.870 19020.0/
+ PLOG/ 0.1000 3.640E+058 -19.000 19090.0/
+ PLOG/ 1.0000 6.650E+048 -15.550 17460.0/
+ PLOG/ 10.0000 4.800E+038 -12.140 14960.0/
+O2CH2CHO=HO2CH2CO +8.270E+30 -6.650 +24500.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 8.270E+030 -6.650 24500.0/
+ PLOG/ 0.1000 1.730E+026 -4.990 23760.0/
+ PLOG/ 1.0000 9.030E+019 -2.920 22170.0/
+ PLOG/ 10.0000 1.430E+016 -1.670 21210.0/
+O2CH2CHO=CH2CO+HO2 +2.050E+40 -13.310 +52150.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.050E+040 -13.310 52150.0/
+ PLOG/ 0.1000 5.720E+045 -14.000 52200.0/
+ PLOG/ 1.0000 4.160E+055 -15.760 55080.0/
+ PLOG/ 10.0000 1.120E+061 -16.040 60010.0/
+HO2CH2CO=>CO+CH2O+OH +2.360E+17 -2.950 +8100.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.360E+017 -2.950 8100.0/
+ PLOG/ 0.1000 2.380E+018 -2.950 8100.0/
+ PLOG/ 1.0000 2.510E+019 -2.950 8110.0/
+ PLOG/ 10.0000 4.160E+020 -3.020 8240.0/
+HO2CH2CO=CH2CO+HO2 +1.120E+07 -3.760 +21680.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.120E+007 -3.760 21680.0/
+ PLOG/ 0.1000 1.100E+008 -3.760 21680.0/
+ PLOG/ 1.0000 9.200E+008 -3.730 21630.0/
+ PLOG/ 10.0000 2.090E+009 -3.550 21220.0/
+CH3CO(+M)=CH2CO+H(+M) +9.413E+07 +1.917 +44987.2 ! *:_:* AA *:_:*
+ LOW/ 1.516E+051 -10.270 55390.0/
+ TROE/ 6.009E-001 8.103E+009 6.677E+002 5.000E+009/
+CH2CO+CH3=C2H5+CO +4.769E+04 +2.312 +9468.0 ! *:_:* AA *:_:*
+HCCO+O2=>CO2+CO+H +4.780E+12 -0.142 +1150.0 ! *:_:* AA *:_:*
+C2H4(+M)=H2+H2CC(+M) +8.000E+12 +0.440 +88770.0 ! *:_:* AA *:_:*
+ LOW/ 7.000E+050 -9.310 99860.0/
+ TROE/ 7.345E-001 1.800E+002 1.035E+003 5.417E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+C2H4+OH=CH3+CH2O +5.350E+00 +2.920 -1732.7 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 5.350E+000 2.920 -1732.7/
+ PLOG/ 0.0250 3.190E+001 2.710 -1172.3/
+ PLOG/ 0.1000 5.550E+002 2.360 -180.8/
+ PLOG/ 1.0000 1.780E+005 1.680 2060.5/
+ PLOG/ 10.0000 2.370E+009 0.560 6006.7/
+ PLOG/ 100.0000 2.760E+013 -0.500 11455.1/
+C2H4+OH=CH3CHO+H +2.370E-07 +5.300 -2050.6 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.370E-007 5.300 -2050.6/
+ PLOG/ 0.0250 8.730E-005 4.570 -618.0/
+ PLOG/ 0.1000 4.030E-001 3.540 1881.7/
+ PLOG/ 1.0000 2.380E-002 3.910 1722.7/
+ PLOG/ 10.0000 8.250E+008 1.010 10507.3/
+ PLOG/ 100.0000 6.800E+009 0.810 13867.3/
+C2H4+OH=C2H3OH+H +1.040E+04 +2.600 +4121.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.040E+004 2.600 4121.0/
+ PLOG/ 0.0250 1.070E+004 2.600 4129.0/
+ PLOG/ 0.1000 1.520E+004 2.560 4238.3/
+ PLOG/ 1.0000 3.190E+005 2.190 5255.6/
+ PLOG/ 10.0000 1.940E+008 1.430 7828.8/
+ PLOG/ 100.0000 8.550E+010 0.750 11490.8/
+C2H3OH+O2=CH2CHO+HO2 +5.310E+11 +0.210 +39830.0 ! *:_:* AA *:_:*
+C2H3OH+O=CH2CHO+OH +1.875E+06 +1.900 -860.0 ! *:_:* AA *:_:*
+C2H3OH+OH=CH2CHO+H2O +3.330E+09 +1.100 +540.5 ! *:_:* AA *:_:*
+C2H3OH+CH3=CH2CHO+CH4 +2.030E-08 +5.900 +1052.0 ! *:_:* AA *:_:*
+C2H3OH+CH3O2=CH2CHO+CH3O2H +3.400E+03 +2.500 +8922.0 ! *:_:* AA *:_:*
+C2H3OH+H=CH2CHO+H2 +1.480E+03 +3.077 +7220.0 ! *:_:* AA *:_:*
+C2H3OH+H=C2H2OH+H2 +2.470E+07 +2.030 +15200.0 ! *:_:* AA *:_:*
+C2H3OH+H=PC2H4OH +3.010E+08 +1.577 +3670.0 ! *:_:* AA *:_:*
+C2H3OH+HO2=CH3CHO+HO2 +1.490E+05 +1.670 +6810.0 ! *:_:* AA *:_:*
+C2H3OH=CH3CHO +7.420E+46 -10.560 +67420.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 7.420E+046 -10.560 67420.0/
+ PLOG/ 1.0000 4.420E+042 -9.090 67069.2/
+ PLOG/ 100.0000 2.900E+027 -4.350 61612.9/
+C2H3+O2=>H+CO+CH2O +5.190E+15 -1.260 +3312.6 ! *:_:* AA *:_:*
+C2H3+H=H2CC+H2 +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+2C2H3=C2H2+C2H4 +9.600E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+O=CH+CO +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+OH=H+HCCO +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+O2=HCO+CO +5.000E+13 +0.000 +1500.0 ! *:_:* AA *:_:*
+C2H+H2=H+C2H2 +4.900E+05 +2.500 +560.0 ! *:_:* AA *:_:*
+C2H2(+M)=H2CC(+M) +8.000E+14 -0.520 +50750.0 ! *:_:* AA *:_:*
+ LOW/ 2.450E+015 -0.640 49700.0/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/
+C2H2+OH=C2H2OH +3.913E+32 -7.126 +5824.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 3.913E+032 -7.126 5824.0/
+ PLOG/ 0.0250 1.067E+032 -6.847 5508.0/
+ PLOG/ 0.1000 1.646E+032 -6.717 5822.0/
+ PLOG/ 1.0000 1.387E+031 -6.087 6348.0/
+ PLOG/ 10.0000 2.892E+029 -5.288 7055.0/
+ PLOG/ 100.0000 1.367E+025 -3.754 6543.0/
+C2H2+HCO=C2H3+CO +1.000E+07 +2.000 +6000.0 ! *:_:* AA *:_:*
+C2H2+CH2=C3H3+H +1.200E+13 +0.000 +6620.0 ! *:_:* AA *:_:*
+C2H2+CH2(S)=C3H3+H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H2+HCCO=C3H3+CO +1.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:*
+H2CC+H=C2H2+H +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+H2CC+OH=CH2CO+H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+H2CC+O2=2HCO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H5OH=C2H4+H2O +3.410E+59 -14.200 +83672.6 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 3.410E+059 -14.200 83672.6/
+ PLOG/ 0.0100 2.620E+057 -13.300 85262.2/
+ PLOG/ 0.1000 1.650E+052 -11.500 84745.6/
+ PLOG/ 1.0000 5.230E+043 -8.900 81506.7/
+ PLOG/ 10.0000 4.590E+032 -5.600 76062.4/
+ PLOG/ 100.0000 3.840E+020 -2.060 69465.5/
+C2H5OH=CH3+CH2OH +1.200E+54 -12.900 +100005.7 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 1.200E+054 -12.900 100005.7/
+ PLOG/ 0.0100 5.180E+059 -14.000 99906.4/
+ PLOG/ 0.1000 1.620E+066 -15.300 105390.5/
+ PLOG/ 1.0000 5.550E+064 -14.500 106183.0/
+ PLOG/ 10.0000 1.550E+058 -12.300 105768.0/
+ PLOG/ 100.0000 1.780E+047 -8.960 101058.8/
+C2H5OH=C2H5+OH +8.100E+46 -11.300 +111053.4 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 8.100E+046 -11.300 111053.4/
+ PLOG/ 0.0100 1.860E+056 -13.500 107238.4/
+ PLOG/ 0.1000 4.650E+063 -15.000 109622.8/
+ PLOG/ 1.0000 4.460E+065 -14.900 112345.0/
+ PLOG/ 10.0000 2.790E+061 -13.400 113080.2/
+ PLOG/ 100.0000 6.170E+051 -10.300 109940.7/
+SC2H4OH=CH3CHO+H +5.690E+52 -13.380 +45049.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 5.690E+052 -13.380 45049.0/
+ PLOG/ 0.0100 3.290E+056 -14.120 48129.0/
+ PLOG/ 0.1000 8.580E+057 -14.160 50743.0/
+ PLOG/ 1.0000 5.360E+055 -13.150 51886.0/
+ PLOG/ 10.0000 1.660E+048 -10.640 50297.0/
+ PLOG/ 20.0000 8.260E+044 -9.590 49218.0/
+ PLOG/ 50.0000 1.010E+040 -8.060 47439.0/
+ PLOG/ 100.0000 1.100E+036 -6.840 45899.0/
+SC2H4OH=C2H3OH+H +5.400E+46 -11.630 +44323.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 5.400E+046 -11.630 44323.0/
+ PLOG/ 0.0100 1.210E+051 -12.550 47240.0/
+ PLOG/ 0.1000 2.870E+054 -13.150 50702.0/
+ PLOG/ 1.0000 3.790E+053 -12.510 52560.0/
+ PLOG/ 10.0000 6.330E+046 -10.200 51441.0/
+ PLOG/ 20.0000 3.870E+043 -9.170 50440.0/
+ PLOG/ 50.0000 5.080E+038 -7.650 48713.0/
+ PLOG/ 100.0000 5.120E+034 -6.410 47182.0/
+SC2H4OH=C2H5O +5.480E+45 -11.630 +44328.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 5.480E+045 -11.630 44328.0/
+ PLOG/ 0.0100 2.540E+049 -12.370 46445.0/
+ PLOG/ 0.1000 1.650E+054 -13.400 50330.0/
+ PLOG/ 1.0000 1.810E+055 -13.310 53132.0/
+ PLOG/ 10.0000 4.580E+049 -11.320 52714.0/
+ PLOG/ 20.0000 4.110E+046 -10.330 51834.0/
+ PLOG/ 50.0000 6.680E+041 -8.830 50202.0/
+ PLOG/ 100.0000 6.540E+037 -7.580 48697.0/
+SC2H4OH=PC2H4OH +2.650E+36 -8.860 +51019.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 2.650E+036 -8.860 51019.0/
+ PLOG/ 0.0100 3.560E+037 -8.890 51114.0/
+ PLOG/ 0.1000 4.140E+039 -9.190 51912.0/
+ PLOG/ 1.0000 5.820E+044 -10.340 55296.0/
+ PLOG/ 10.0000 4.260E+048 -11.060 59458.0/
+ PLOG/ 20.0000 8.840E+047 -10.740 59901.0/
+ PLOG/ 50.0000 2.230E+045 -9.840 59604.0/
+ PLOG/ 100.0000 1.700E+042 -8.830 58737.0/
+SC2H4OH+O2=C2H3OH+HO2 +5.512E+03 +2.495 -414.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 5.120E+002 2.496 -414.0/
+ PLOG/ 0.1000 5.330E+002 2.490 -402.0/
+ PLOG/ 1.0000 7.620E+002 2.446 -296.0/
+ PLOG/ 10.0000 8.920E+003 2.146 470.0/
+ PLOG/ 100.0000 4.380E+005 1.699 2330.0/
+CH3COCH3=CH3CO+CH3 +2.050E+58 -12.796 +100030.1 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.050E+058 -12.796 100030.1/
+ PLOG/ 0.1000 3.300E+051 -10.574 98221.2/
+ PLOG/ 1.0000 1.310E+042 -7.657 94660.6/
+ PLOG/ 10.0000 2.160E+033 -4.989 90916.5/
+ PLOG/ 100.0000 9.400E+028 -3.669 89022.8/
+CH3COCH3+CH3COCH2O2=CH3COCH2+C3KET21 +1.000E+11 +0.000 +5000.0 ! *:_:* AA *:_:*
+CH2O+CH3COCH2O2=HCO+C3KET21 +1.288E+11 +0.000 +9000.0 ! *:_:* AA *:_:*
+HO2+CH3COCH2O2=C3KET21+O2 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+CH3(+M)=C3H6(+M) +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 4.270E+058 -11.940 9769.8/
+ TROE/ 1.750E-001 1.341E+003 6.000E+004 1.014E+004/
+C3H5-A+H(+M)=C3H6(+M) +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 1.330E+060 -12.000 5967.8/
+ TROE/ 2.000E-002 1.097E+003 1.097E+003 6.860E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+C3H5-A+O=C2H3CHO+H +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-A+OH=>C2H3CHO+2H +5.300E+37 -6.710 +29306.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 5.300E+037 -6.710 29306.0/
+ PLOG/ 1.0000 4.200E+032 -5.160 30126.0/
+ PLOG/ 10.0000 1.600E+020 -1.560 26330.0/
+C3H5-A+O2=CH3CO+CH2O +1.190E+15 -1.010 +20128.0 ! *:_:* AA *:_:*
+ PLOG/ 1.0000 1.190E+015 -1.010 20128.0/
+ PLOG/ 10.0000 7.140E+015 -1.210 21046.0/
+C3H5-A+HCO=C3H6+CO +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+CH3=C3H5-A+H +1.500E+24 -2.830 +18618.0 ! *:_:* AA *:_:*
+C3H5-A=C3H5-T +3.900E+59 -15.420 +75400.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 3.900E+059 -15.420 75400.0/
+ PLOG/ 1.0000 7.060E+056 -14.080 75868.0/
+ PLOG/ 2.0000 4.800E+055 -13.590 75949.0/
+ PLOG/ 5.0000 4.860E+053 -12.810 75883.0/
+ PLOG/ 10.0000 6.400E+051 -12.120 75700.0/
+ PLOG/ 100.0000 2.800E+043 -9.270 74000.0/
+C3H5-A=C3H5-S +1.300E+55 -14.530 +73800.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.300E+055 -14.530 73800.0/
+ PLOG/ 1.0000 5.000E+051 -13.020 73300.0/
+ PLOG/ 10.0000 9.700E+048 -11.730 73700.0/
+ PLOG/ 100.0000 4.860E+044 -9.840 73400.0/
+C3H5-S+H=C3H4-P+H2 +3.340E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+O=C2H4+HCO +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+OH=>C2H4+HCO+H +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+HO2=>C2H4+HCO+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+HCO=C3H6+CO +9.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+CH3=C3H4-P+CH4 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T=C3H5-S +1.600E+44 -12.160 +52200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.600E+044 -12.160 52200.0/
+ PLOG/ 1.0000 1.500E+048 -12.710 53900.0/
+ PLOG/ 10.0000 5.100E+052 -13.370 57200.0/
+ PLOG/ 100.0000 5.800E+051 -12.430 59200.0/
+C3H4-A+H=C3H5-S +1.100E+30 -6.520 +15200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.100E+030 -6.520 15200.0/
+ PLOG/ 1.0000 5.400E+029 -6.090 16300.0/
+ PLOG/ 10.0000 2.600E+031 -6.230 18700.0/
+ PLOG/ 100.0000 3.200E+031 -5.880 21500.0/
+2C3H4-A=C3H5-A+C3H3 +5.000E+14 +0.000 +64746.7 ! *:_:* AA *:_:*
+C3H5-T+O=CH3+CH2CO +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+OH=>CH3+CH2CO+H +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+HO2=>CH3+CH2CO+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+HCO=C3H6+CO +9.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H4-P=CC3H4 +3.400E+46 -10.970 +68900.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 3.400E+046 -10.970 68900.0/
+ PLOG/ 0.4000 2.840E+045 -10.450 69284.0/
+ PLOG/ 1.0000 1.200E+044 -9.920 69250.0/
+ PLOG/ 2.0000 5.470E+042 -9.430 69089.0/
+ PLOG/ 5.0000 3.920E+040 -8.690 68706.0/
+ PLOG/ 10.0000 5.300E+038 -8.060 68300.0/
+ PLOG/ 100.0000 2.800E+031 -5.690 66400.0/
+C3H4-P+H=C3H4-A+H +2.300E+15 -0.260 +7600.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 2.300E+015 -0.260 7600.0/
+ PLOG/ 1.0000 6.270E+017 -0.910 10079.0/
+ PLOG/ 2.0000 1.500E+018 -1.000 10756.0/
+ PLOG/ 5.0000 1.930E+018 -1.010 11523.0/
+ PLOG/ 10.0000 3.100E+022 -2.180 14800.0/
+ PLOG/ 100.0000 6.400E+027 -3.580 21200.0/
+C3H4-P+H=C3H5-A +1.100E+60 -14.560 +28100.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.100E+060 -14.560 28100.0/
+ PLOG/ 1.0000 4.910E+060 -14.370 31644.0/
+ PLOG/ 2.0000 3.040E+060 -14.190 32642.0/
+ PLOG/ 5.0000 9.020E+059 -13.890 33953.0/
+ PLOG/ 10.0000 2.200E+059 -13.610 34900.0/
+ PLOG/ 100.0000 1.600E+055 -12.070 37500.0/
+C3H4-P+C3H3=C3H4-A+C3H3 +6.140E+06 +1.740 +10450.0 ! *:_:* AA *:_:*
+C3H4-P+O=C2H4+CO +1.000E+13 +0.000 +2250.0 ! *:_:* AA *:_:*
+CC3H4=C3H4-A +2.300E+39 -8.810 +47800.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 2.300E+039 -8.810 47800.0/
+ PLOG/ 0.4000 7.590E+040 -9.070 48831.0/
+ PLOG/ 1.0000 4.890E+041 -9.170 49594.0/
+ PLOG/ 2.0000 8.810E+041 -9.150 50073.0/
+ PLOG/ 5.0000 4.330E+041 -8.930 50475.0/
+ PLOG/ 10.0000 7.200E+040 -8.600 50600.0/
+ PLOG/ 100.0000 1.600E+035 -6.640 49500.0/
+C3H3+H=C3H4-P +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+H=C3H4-A +2.500E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+HO2=>OH+CO+C2H3 +8.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+HCO=C3H4-A+CO +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+HCO=C3H4-P+CO +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+PC4H9=SC4H9 +3.560E+10 +0.880 +37300.0 ! *:_:* AA *:_:*
+ DUP
+PC4H9=SC4H9 +3.800E+10 +0.670 +36600.0 ! *:_:* AA *:_:*
+ DUP
+C3H5-A+CH3(+M)=C4H8-1(+M) +1.000E+14 -0.320 -262.3 ! *:_:* AA *:_:*
+ LOW/ 3.910E+060 -12.810 6250.0/
+ TROE/ 1.040E-001 1.606E+003 6.000E+004 6.118E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+C4H8-1+O=C4H71-3+OH +1.750E+11 +0.700 +5884.0 ! *:_:* AA *:_:*
+C4H8-2+O=C4H71-3+OH +2.190E+11 +0.810 +7550.0 ! *:_:* AA *:_:*
+C4H6=C4H5+H +5.700E+36 -6.270 +112353.0 ! *:_:* AA *:_:*
+C4H6=C4H4+H2 +2.500E+15 +0.000 +94700.0 ! *:_:* AA *:_:*
+C4H6+H=C4H5+H2 +6.650E+05 +2.530 +9240.0 ! *:_:* AA *:_:*
+C4H6+H=C3H4-P+CH3 +2.000E+12 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H6+H=C3H4-A+CH3 +2.000E+12 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H6+O=NC4H5+OH +7.500E+06 +1.900 +3740.0 ! *:_:* AA *:_:*
+C4H6+O=C4H5+OH +7.500E+06 +1.900 +3740.0 ! *:_:* AA *:_:*
+C4H6+O=C2H2+C2H4O1-2 +1.000E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+C4H6+O=AC3H5CO+H +5.000E+07 +1.450 -860.0 ! *:_:* AA *:_:*
+C4H6+O=CXOCXCCJ+H +4.500E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+C4H6+OH=C4H5+H2O +3.100E+06 +2.000 +430.0 ! *:_:* AA *:_:*
+C4H6+HO2=C4H6O25+OH +1.200E+12 +0.000 +14000.0 ! *:_:* AA *:_:*
+C4H6+HO2=C2H3CHOCH2+OH +4.800E+12 +0.000 +14000.0 ! *:_:* AA *:_:*
+C4H6+CH3=NC4H5+CH4 +2.000E+14 +0.000 +22800.0 ! *:_:* AA *:_:*
+C4H6+CH3=C4H5+CH4 +1.000E+14 +0.000 +19800.0 ! *:_:* AA *:_:*
+C4H6+C2H3=C4H5+C2H4 +2.500E+13 +0.000 +19800.0 ! *:_:* AA *:_:*
+C4H6+C3H3=NC4H5+C3H4-A +1.000E+13 +0.000 +22500.0 ! *:_:* AA *:_:*
+C4H6+C3H3=C4H5+C3H4-A +5.000E+12 +0.000 +19500.0 ! *:_:* AA *:_:*
+C4H6+C3H5-A=NC4H5+C3H6 +1.000E+13 +0.000 +22500.0 ! *:_:* AA *:_:*
+C4H6+C3H5-A=C4H5+C3H6 +5.000E+12 +0.000 +19500.0 ! *:_:* AA *:_:*
+C2H3+C2H2=C4H4+H +7.200E+13 -0.480 +6100.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 7.200E+013 -0.480 6100.0/
+ PLOG/ 0.0263 5.000E+014 -0.710 6700.0/
+ PLOG/ 0.1200 4.600E+016 -1.250 8400.0/
+ PLOG/ 1.0000 2.000E+018 -1.680 10600.0/
+ PLOG/ 10.0000 4.900E+016 -1.130 11800.0/
+2C2H3=C4H5+H +1.500E+30 -4.950 +12958.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0263 1.500E+030 -4.950 12958.0/
+ PLOG/ 0.1200 7.200E+028 -4.490 14273.0/
+ PLOG/ 1.0000 1.200E+022 -2.440 13654.0/
+NC4H5=C4H5 +2.400E+60 -16.080 +47500.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 2.400E+060 -16.080 47500.0/
+ PLOG/ 0.0263 1.300E+062 -16.380 49600.0/
+ PLOG/ 0.1200 4.900E+066 -17.260 55400.0/
+ PLOG/ 1.0000 1.500E+067 -16.890 59100.0/
+ PLOG/ 10.0000 2.000E+060 -14.460 58600.0/
+NC4H5+H=C4H5+H +3.100E+26 -3.350 +17423.0 ! *:_:* AA *:_:*
+NC4H5+H=C4H4+H2 +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+OH=C4H4+H2O +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+HCO=C4H6+CO +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+HO2=>C2H3+CH2CO+OH +6.600E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+H2O2=C4H6+HO2 +1.210E+10 +0.000 -596.0 ! *:_:* AA *:_:*
+NC4H5+O2=CXOCXCCJ+O +3.000E+11 +0.290 +11.0 ! *:_:* AA *:_:*
+C4H5+H=C4H4+H2 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+H=C3H3+CH3 +2.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+C4H5+OH=C4H4+H2O +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+HCO=C4H6+CO +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+HO2=C4H6+O2 +6.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+HO2=>C2H3+CH2CO+OH +6.600E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+H2O2=C4H6+HO2 +1.210E+10 +0.000 -596.0 ! *:_:* AA *:_:*
+C4H5+O2=CH2CO+CH2CHO +2.160E+10 +0.000 +2500.0 ! *:_:* AA *:_:*
+C4H5-2=C4H5 +1.500E+67 -16.890 +59100.0 ! *:_:* AA *:_:*
+C4H5-2+H=C4H5+H +3.100E+26 -3.350 +17423.0 ! *:_:* AA *:_:*
+C4H5-2+HO2=>OH+C2H2+CH3CO +8.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5-2+O2=CH3CO+CH2CO +2.160E+10 +0.000 +2500.0 ! *:_:* AA *:_:*
+CH2CCHCH3=C4H5+H +4.200E+15 +0.000 +92600.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C4H6+H +2.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C4H5+H2 +1.700E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C3H4-A+CH3 +2.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C3H4-P+CH3 +2.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+CH2CCHCH3+CH3=C4H5+CH4 +7.000E+13 +0.000 +18500.0 ! *:_:* AA *:_:*
+CH2CCHCH3+O=CH2CO+C2H4 +1.200E+08 +1.650 +327.0 ! *:_:* AA *:_:*
+CH2CCHCH3+O=C4H5+OH +1.800E+11 +0.700 +5880.0 ! *:_:* AA *:_:*
+CH2CCHCH3+OH=C4H5+H2O +3.100E+06 +2.000 -298.0 ! *:_:* AA *:_:*
+CH2CCHCH3=C4H6 +3.000E+13 +0.000 +65000.0 ! *:_:* AA *:_:*
+C4H6-2=C4H6 +3.000E+13 +0.000 +65000.0 ! *:_:* AA *:_:*
+C4H6-2=CH2CCHCH3 +3.000E+13 +0.000 +67000.0 ! *:_:* AA *:_:*
+C4H6-2+H=CH2CCHCH3+H +2.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:*
+C4H6-2+H=C4H5-2+H2 +3.400E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+C4H6-2+H=CH3+C3H4-P +2.600E+05 +2.500 +1000.0 ! *:_:* AA *:_:*
+C4H6-2=H+C4H5-2 +5.000E+15 +0.000 +87300.0 ! *:_:* AA *:_:*
+C4H6-2+CH3=C4H5-2+CH4 +1.400E+14 +0.000 +18500.0 ! *:_:* AA *:_:*
+C2H3CHOCH2=C4H6O23 +2.000E+14 +0.000 +50600.0 ! *:_:* AA *:_:*
+C4H6O23=AC3H5CHO +1.950E+13 +0.000 +49400.0 ! *:_:* AA *:_:*
+C4H6O23=C2H4+CH2CO +5.750E+15 +0.000 +69300.0 ! *:_:* AA *:_:*
+C4H6O23=C2H2+C2H4O1-2 +1.000E+16 +0.000 +75800.0 ! *:_:* AA *:_:*
+C4H6O25=C4H4O+H2 +5.300E+12 +0.000 +48500.0 ! *:_:* AA *:_:*
+C4H4O=CO+C3H4-P +1.780E+15 +0.000 +77500.0 ! *:_:* AA *:_:*
+C4H4O=C2H2+CH2CO +5.010E+14 +0.000 +77500.0 ! *:_:* AA *:_:*
+AC3H5CHO=C3H6+CO +3.900E+14 +0.000 +69000.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=CXOCXCCJ+H2 +1.700E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=AC3H5CO+H2 +1.000E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=CH3+C2H3CHO +4.000E+21 -2.390 +11180.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=C3H6+HCO +4.000E+21 -2.390 +11180.0 ! *:_:* AA *:_:*
+AC3H5CHO+CH3=CXOCXCCJ+CH4 +2.100E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+AC3H5CHO+CH3=AC3H5CO+CH4 +1.100E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+AC3H5CHO+C2H3=CXOCXCCJ+C2H4 +2.210E+00 +3.500 +4682.0 ! *:_:* AA *:_:*
+AC3H5CHO+C2H3=AC3H5CO+C2H4 +1.110E+00 +3.500 +4682.0 ! *:_:* AA *:_:*
+AC3H5CO=C3H5-S+CO +1.000E+14 +0.000 +30000.0 ! *:_:* AA *:_:*
+AC3H5CO+H=AC3H5CHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CXOCXCCJ=C3H5-A+CO +1.000E+14 +0.000 +25000.0 ! *:_:* AA *:_:*
+CXOCXCCJ+H=AC3H5CHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H4+H=C4H5 +6.100E+53 -13.190 +14200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 6.100E+053 -13.190 14200.0/
+ PLOG/ 0.0263 9.600E+052 -12.850 14300.0/
+ PLOG/ 0.1200 2.100E+052 -12.440 15500.0/
+ PLOG/ 1.0000 4.900E+051 -11.920 17700.0/
+ PLOG/ 10.0000 1.500E+048 -10.580 18800.0/
+C4H4+H=NC4H3+H2 +6.650E+05 +2.530 +12240.0 ! *:_:* AA *:_:*
+C4H4+H=C4H3-I+H2 +3.330E+05 +2.530 +9240.0 ! *:_:* AA *:_:*
+C4H4+OH=NC4H3+H2O +3.100E+07 +2.000 +3430.0 ! *:_:* AA *:_:*
+C4H4+OH=C4H3-I+H2O +1.550E+07 +2.000 +430.0 ! *:_:* AA *:_:*
+C4H4+O=C3H3+HCO +6.000E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+C3H3+HCCO=C4H4+CO +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+CH=C4H3-I+H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+CH2=C4H4+H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+CH3(+M)=CH2CCHCH3(+M) +1.500E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 2.600E+057 -11.940 9770.0/
+ TROE/ 1.750E-001 1.341E+003 6.000E+004 9.770E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+C2H2+C2H(+M)=NC4H3(+M) +8.300E+10 +0.899 -363.0 ! *:_:* AA *:_:*
+ LOW/ 1.240E+031 -4.718 1871.0/
+ TROE/ 1.000E+000 1.000E+002 5.613E+003 1.339E+004/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/
+NC4H3=C4H3-I +4.100E+43 -9.490 +53000.0 ! *:_:* AA *:_:*
+NC4H3+H=C4H3-I+H +2.500E+20 -1.670 +10800.0 ! *:_:* AA *:_:*
+NC4H3+H=C2H2+H2CC +6.300E+25 -3.340 +10014.0 ! *:_:* AA *:_:*
+NC4H3+H=C4H4 +2.000E+47 -10.260 +13070.0 ! *:_:* AA *:_:*
+NC4H3+H=C4H2+H2 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H3+OH=C4H2+H2O +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H2+C2H(+M)=C4H3-I(+M) +8.300E+10 +0.899 -363.0 ! *:_:* AA *:_:*
+ LOW/ 1.240E+031 -4.718 1871.0/
+ TROE/ 1.000E+000 1.000E+002 5.613E+003 1.339E+004/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/
+C4H3-I+H=C2H2+H2CC +2.800E+23 -2.550 +10780.0 ! *:_:* AA *:_:*
+C4H3-I+H=C4H4 +3.400E+43 -9.010 +12120.0 ! *:_:* AA *:_:*
+C4H3-I+H=C4H2+H2 +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H3-I+OH=C4H2+H2O +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H3-I+O2=HCCO+CH2CO +7.860E+16 -1.800 +0.0 ! *:_:* AA *:_:*
+C4H3-I+CH2=C3H4-A+C2H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H2+H=NC4H3 +1.100E+42 -8.720 +15300.0 ! *:_:* AA *:_:*
+C4H2+H=C4H3-I +1.100E+30 -4.920 +10800.0 ! *:_:* AA *:_:*
+C4H2+OH=H2C4O+H +6.600E+12 +0.000 -410.0 ! *:_:* AA *:_:*
+H2C4O+H=C2H2+HCCO +5.000E+13 +0.000 +3000.0 ! *:_:* AA *:_:*
+H2C4O+OH=CH2CO+HCCO +1.000E+07 +2.000 +2000.0 ! *:_:* AA *:_:*
+H2CC+C2H2(+M)=C4H4(+M) +3.500E+05 +2.055 -2400.0 ! *:_:* AA *:_:*
+ LOW/ 1.400E+060 -12.599 7417.0/
+ TROE/ 9.800E-001 5.600E+001 5.800E+002 4.164E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 3.00/ C2H4/ 3.00/
+H2CC+C2H4=C4H6 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H9=TC4H9 +3.560E+10 +0.880 +34600.0 ! *:_:* AA *:_:*
+C3H5-A+C2H3=>CY13PD+2H +1.600E+35 -14.000 +61137.7 ! *:_:* AA *:_:*
+C3H5-A+C3H3=>C6H6+2H +5.600E+20 -2.540 +1696.9 ! *:_:* AA *:_:*
+C3H4-A+C3H3=C6H6+H +1.400E+12 +0.000 +9990.4 ! *:_:* AA *:_:*
+C4H6+C2H3=>C6H6+H2+H +5.620E+11 +0.000 +3240.0 ! *:_:* AA *:_:*
+NC4H5+C2H3=C6H6+H2 +1.840E-13 +7.070 -3611.0 ! *:_:* AA *:_:*
+C4H5-2+C2H2=C6H6+H +5.000E+14 +0.000 +25000.0 ! *:_:* AA *:_:*
+C4H5-2+C2H4=CY13PD+CH3 +5.000E+14 +0.000 +25000.0 ! *:_:* AA *:_:*
+C6H2+H=C6H3 +1.100E+30 -4.920 +10800.0 ! *:_:* AA *:_:*
+C6H3+H=C4H2+C2H2 +2.800E+23 -2.550 +10780.0 ! *:_:* AA *:_:*
+C6H3+H=L-C6H4 +3.400E+43 -9.010 +12120.0 ! *:_:* AA *:_:*
+C6H3+H=C6H2+H2 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H3+OH=C6H2+H2O +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+L-C6H4+H=C6H5 +1.700E+78 -19.720 +31400.0 ! *:_:* AA *:_:*
+L-C6H4+H=C-C6H4+H +1.400E+54 -11.700 +34500.0 ! *:_:* AA *:_:*
+L-C6H4+H=C6H3+H2 +1.330E+06 +2.530 +9240.0 ! *:_:* AA *:_:*
+L-C6H4+OH=C6H3+H2O +3.100E+06 +2.000 +430.0 ! *:_:* AA *:_:*
+C-C6H4+H=C6H5 +2.400E+60 -13.660 +29500.0 ! *:_:* AA *:_:*
+NC4H3+C2H2=L-C6H4+H +2.500E+14 -0.560 +10600.0 ! *:_:* AA *:_:*
+NC4H3+C2H2=C6H5 +9.600E+70 -17.770 +31300.0 ! *:_:* AA *:_:*
+NC4H3+C2H2=C-C6H4+H +6.900E+46 -10.010 +30100.0 ! *:_:* AA *:_:*
+C4H3-I+CH3=CY13PD +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H2+C2H=C6H2+H +9.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H2+C2H=C6H3 +4.500E+37 -7.680 +7100.0 ! *:_:* AA *:_:*
+C4H4+C2H=L-C6H4+H +1.200E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH3(+M)=C6H5CH2J+H(+M) +2.780E+15 +0.170 +91168.0 ! *:_:* AA *:_:*
+ LOW/1.00E+98 -22.855 9.9882E+04/
+ TROE/6.547194E-02 1.511253E+01 9.999996E+09 7.596123E+07/
+C6H5CH3(+M)=C6H5+CH3(+M) +1.950E+27 -3.160 +107447.0 ! *:_:* AA *:_:*
+ LOW/1.00E+98 -22.966 1.2208E+05/
+ TROE/7.054562E-01 9.999989E+09 4.599180E+02 8.213938E+09/
+C6H5CH3+C3H5-A=C6H5CH2J+C3H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+C3H3=C6H5CH2J+C3H4-P +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+C4H5=C6H5CH2J+C4H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+NC4H5=C6H5CH2J+C4H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+HOC6H4CH2=C6H5CH2J+HOC6H4CH3 +1.600E+11 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH2J=>CY13PD5J+C2H2 +6.000E+13 +0.000 +70000.0 ! *:_:* AA *:_:*
+C6H5CH2J=C3H3+C4H4 +2.000E+14 +0.000 +83600.0 ! *:_:* AA *:_:*
+C6H5CH2J+HO2=C6H5CH2OOH +6.750E+44 -17.475 -45232.0 ! *:_:* AA *:_:*
+C6H4CH3+O2=O-C6H4O2+CH3 +3.000E+13 +0.000 +9000.0 ! *:_:* AA *:_:*
+C6H5CH2OOJ(+M)=C6H5CH2J+O2(+M) +4.170E+36 -7.068 +32235.0 ! *:_:* AA *:_:*
+ LOW / 1.79700E-06 5.40000E+00 -7.63000E+03/
+ TROE /6.114198E-01 9.999806E+09 1.037924E+00 1.786062E+09/
+C14H14+C3H5-A=C14H13+C3H6 +2.200E+12 +0.000 +9100.0 ! *:_:* AA *:_:*
+C14H13+O2=C6H5CHO+C6H5CH2OJ +3.940E+50 -11.500 +42250.0 ! *:_:* AA *:_:* C2H5+O2,A-FACTOR*(4/5)
+PHCCHPH=>2C6H5+C2H +1.074E+25 -2.217 +88474.6 ! *:_:* AA *:_:*
+STYLBEN+O=PHCCHPH+OH +4.200E+11 +0.000 -1940.0 ! *:_:* AA *:_:*
+STYLBEN+HO2=PHCCHPH+H2O2 +2.700E+11 +0.000 +11640.0 ! *:_:* AA *:_:*
+STYLBEN+CH3=PHCCHPH+CH4 +1.100E+12 +0.000 +8827.0 ! *:_:* AA *:_:*
+STYLBEN+C3H5-A=PHCCHPH+C3H6 +1.100E+12 +0.000 +8827.0 ! *:_:* AA *:_:*
+STYLBEN+C6H5OJ=PHCCHPH+C6H5OH +5.430E+12 +0.000 +20923.0 ! *:_:* AA *:_:*
+STYLBEN+C6H5CH2J=PHCCHPH+C6H5CH3 +1.100E+11 +0.000 +8827.0 ! *:_:* AA *:_:*
+C14H13+HO2=C14H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+C6H5CH2J+C6H5CHO=C14H13O +1.000E+11 +0.000 +12900.0 ! *:_:* AA *:_:* C7H15O-4=NC3H7CHO+NC3H7
+C14H13OOH+C6H5CH2J=C14H13OO+C6H5CH3 +1.440E+10 +0.000 +17700.0 ! *:_:* AA *:_:*
+C14H13OO+HO2=C14H13OOH+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:* C7H15O2-1+HO2=C7H15O2H-1+O2
+C14H13OO+H2O2=C14H13OOH+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* AA *:_:* H2O2+C7H15O2-1=HO2+C7H15O2H-1
+C14H13O+OH=C14H13OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C14H13OO=C14H12OOH +2.590E+12 +0.000 +21374.0 ! *:_:* AA *:_:*
+STYLBEN+HO2=C14H12OOH +1.000E+11 +0.000 +10530.0 ! *:_:* AA *:_:*
+C14H12OOH+O2=C14H12O2H-1O2 +8.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C14H12O2H-1O2=C14H11O-1O2H+OH +1.295E+12 +0.000 +18374.0 ! *:_:* AA *:_:*
+C14H11O-1O2H=C6H5CHO+C6H5CJO+OH +1.000E+16 +0.000 +43000.0 ! *:_:* AA *:_:*
+C6H5CHO+H=C6H6+HCO +5.800E+13 +0.000 +8100.0 ! *:_:* AA *:_:*
+C6H5CHO+C2H5=C6H5CJO+C2H6 +1.300E+12 +0.000 +7500.0 ! *:_:* AA *:_:*
+C6H5CHO+C3H5-A=C6H5CJO+C3H6 +1.300E+12 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+C4H5=C6H5CJO+C4H6 +1.300E+12 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+NC4H5=C6H5CJO+C4H6 +1.300E+12 +0.000 +7500.0 ! *:_:* AA *:_:*
+C6H5CHO+CY13PD5J=C6H5CJO+CY13PD +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+C6H5OJ=C6H5CJO+C6H5OH +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+OC6H4CH3=C6H5CJO+HOC6H4CH3 +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+HOC6H4CH2=C6H5CJO+HOC6H4CH3 +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C3H5-A=OC6H4CH3+C3H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C4H5=OC6H4CH3+C4H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+NC4H5=OC6H4CH3+C4H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C3H5-A=HOC6H4CH2+C3H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C4H5=HOC6H4CH2+C4H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+NC4H5=HOC6H4CH2+C4H6 +1.600E+12 +0.000 +11100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H4CH3=OC6H4CH3+C6H5CH3 +7.900E+13 +0.000 +12000.0 ! *:_:* AA *:_:*
+HOC6H4CH2O+OH=HOC6H4CH2OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH2OH+CH3=C6H5CHOH+CH4 +1.100E+12 +0.000 +9100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C3H3=C6H5CHOH+C3H4-P +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C3H5-A=C6H5CHOH+C3H6 +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C4H5=C6H5CHOH+C4H6 +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+NC4H5=C6H5CHOH+C4H6 +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+CY13PD5J=C6H5CHOH+CY13PD +1.100E+12 +0.000 +9100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5=C6H5CHOH+C6H6 +5.200E+13 +0.000 +10000.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5OJ=C6H5CHOH+C6H5OH +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5CH2J=C6H5CHOH+C6H5CH3 +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H4CH3=C6H5CHOH+C6H5CH3 +5.200E+13 +0.000 +10000.0 ! *:_:* AA *:_:*
+C6H5CH2OH+OC6H4CH3=C6H5CHOH+HOC6H4CH3 +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+HOC6H4CH2=C6H5CHOH+HOC6H4CH3 +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5CH2OJ=C6H5CHOH+C6H5CH2OH +1.100E+11 +0.000 +9100.0 ! *:_:* AA *:_:*
+C6H5C2H5+C2H3=C6H5C2H4P+C2H4 +6.000E+02 +3.300 +10502.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C2H3=C6H5C2H4S+C2H4 +1.000E+03 +3.100 +8829.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-A=C6H5C2H4P+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-A=C6H5C2H4S+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-T=C6H5C2H4P+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-T=C6H5C2H4S+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-S=C6H5C2H4P+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-S=C6H5C2H4S+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5=C6H5C2H4P+C6H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5=C6H5C2H4S+C6H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5CH2J=C6H5C2H4P+C6H5CH3 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5CH2J=C6H5C2H4S+C6H5CH3 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5C2H4S=C6H5C2H4P+C6H5C2H5 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5C2H4S=C6H5C2H4S+C6H5C2H5 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+CH3O=C6H5C2H4P+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+CH3O=C6H5C2H4S+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H4P+O2=C6H5CH2CH2OO +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H4S+O2=C6H5CHOOCH3 +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+C6H5CH2CH2OO=STYR+HO2 +1.000E+10 +0.860 +27600.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323.
+C6H5CHOOCH3=STYR+HO2 +5.000E+10 +0.760 +27200.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323. /2
+C6H5C2H4S+HO2=C6H5CHO+CH3+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+STYR=C6H6+C2H2 +1.580E+11 +0.000 +58440.0 ! *:_:* AA *:_:*
+C6H5+C2H4=STYR+H +2.510E+12 +0.000 +6200.0 ! *:_:* AA *:_:*
+STYR+H=C6H5CCH2+H2 +3.230E+07 +2.095 +15842.0 ! *:_:* AA *:_:*
+STYR+OH=C6H5CCH2+H2O +2.110E+13 +0.000 +4571.0 ! *:_:* AA *:_:*
+C6H5CCH2+O2=C6H5OJ+CH2CO +1.880E+12 +0.000 +7469.0 ! *:_:* AA *:_:*
+C6H5CCH2+H=STYR +1.110E+16 -0.817 +690.0 ! *:_:* AA *:_:*
+C6H5+C2H2=C6H5CCH2 +1.100E+41 -8.610 +18152.0 ! *:_:* AA *:_:*
+STYR+O=C6H5C2H2+OH +7.550E+06 +1.910 +3736.0 ! *:_:* AA *:_:*
+STYR+O2=C6H5CCH2+HO2 +2.000E+13 +0.000 +57900.0 ! *:_:* AA *:_:*
+C6H5+H(+M)=C6H6(+M) +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW / 6.6E+75 -16.3 7000.0 /
+ TROE / 1.0 0.1 584.9 6113.0 /
+ H2 /2.0/ H2O /6.0/ CH4 /2.0/ CO /1.5/ CO2 /2.0/
+C6H5=>H+C4H2+C2H2 +4.300E+12 +0.620 +77294.0 ! *:_:* AA *:_:*
+C6H5+CH2O=C6H6+HCO +8.550E+04 +2.190 +38.0 ! *:_:* AA *:_:*
+C6H5+CH2O=C6H5CHO+H +2.910E+04 +2.090 -411.0 ! *:_:* AA *:_:*
+C6H5+HCO=C6H6+CO +8.550E+04 +2.190 +38.0 ! *:_:* AA *:_:*
+C6H5O2+C6H5CH3=C6H5OOH+C6H5CH2J +4.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+C6H5OJ+OH=C6H5OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5O2+C6H5OH=C6H5OOH+C6H5OJ +1.330E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+C6H5+C2H3=STYR +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5OH+O=OC6H4OH+H +1.600E+13 +0.000 +3400.0 ! *:_:* AA *:_:*
+C6H5OH+C3H5-A=C6H5OJ+C3H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+C6H5OH+C4H5=C6H5OJ+C4H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+C6H4OH+O2=OC6H4OH+O +2.100E+13 +0.000 +6100.0 ! *:_:* AA *:_:*
+C6H4OH+H=C6H5OH +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+OC6H4OH=CYC5H4OH+CO +7.400E+11 +0.000 +43800.0 ! *:_:* AA *:_:*
+C6H5OJ+H(+M)=C6H5OH(+M) +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW /1.0E+94 -21.84 13880. /
+ TROE /0.043 304.2 60000. 5896.4 /
+C6H5OH=CY13PD+CO +4.310E+15 -0.610 +74115.0 ! *:_:* AA *:_:*
+C6H5OJ+H=CO+CY13PD +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5OJ+O=CY13PD5J+CO2 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5OJ+O=OC6H4OH +2.600E+10 +0.470 +800.0 ! *:_:* AA *:_:*
+C6H5OJ+HO2=YOC6JDO+OH +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+OC6H4O+H=P-OC6H5OJ +4.000E+12 +0.000 +9740.0 ! *:_:* AA *:_:*
+O-C6H4O2+H=YOC6JDO +4.000E+12 +0.000 +6960.0 ! *:_:* AA *:_:*
+C6H5OJ+O=O-C6H4O2+H +8.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+O-C6H4O2=CYPDONE+CO +1.000E+12 +0.000 +40000.0 ! *:_:* AA *:_:*
+OC6H4O+H=CYC5H5OJ+CO +2.500E+13 +0.000 +4700.0 ! *:_:* AA *:_:*
+OC6H4O+H=P-C6H3O2+H2 +2.000E+12 +0.000 +8100.0 ! *:_:* AA *:_:*
+OC6H4O+O=P-C6H3O2+OH +1.400E+13 +0.000 +14700.0 ! *:_:* AA *:_:*
+OC6H4O+OH=P-C6H3O2+H2O +1.000E+06 +2.000 +4000.0 ! *:_:* AA *:_:*
+P-C6H3O2+H=OC6H4O +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+P-C6H3O2+H=2C2H2+2CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+P-C6H3O2+O=C2H2+HCCO+2CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+OC6H4O+O=2CO+C2H2+CH2CO +3.000E+13 +0.000 +5000.0 ! *:_:* AA *:_:*
+CY13PD5J+H(+M)=CY13PD(+M) +2.600E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW /4.400E+80 -18.28 12994/
+ TROE /0.0680 400.700 4135.8 5501.9/
+ CO /1.5/ CO2 /2.0/ H2O /6.0/ H2 /2.0/ CH4 /2.0/
+CY13PD(+M)=C3H4-A+C2H2(+M) +3.800E+17 +0.000 +104000.0 ! *:_:* AA *:_:*
+ LOW /1.00E+98 -22.25 126321.5/
+ TROE /1.440547E-01 5.357622E+00 3.283766E+03 6.710101E+09/
+ CO /1.5/ CO2 /2.0/ H2O /6.0/ H2 /2.0/ CH4 /2.0/
+CH3CY24PD+OH=H2O+FULVENE+H +1.540E+06 +2.000 +0.0 ! *:_:* AA *:_:* C5H6+OH=C5H5+H2O /2
+CH3CY24PD+CH3=CH4+FULVENE+H +2.500E+11 +0.000 +5000.0 ! *:_:* AA *:_:* PITZ2001
+CH3CY24PD+H=H2+FULVENE+H +1.200E+14 +0.000 +8000.0 ! *:_:* AA *:_:* PITZ2001
+CH3CY24PD+O2=HO2+FULVENE+H +4.000E+13 +0.000 +37150.0 ! *:_:* AA *:_:* C5H6+O2=C5H5+HO2
+CH3CY24PD+HO2=H2O2+FULVENE+H +1.100E+04 +2.600 +12900.0 ! *:_:* AA *:_:* C5H6+O2=C5H5+HO2
+CY13PD+CY13PD5J=>C6H5C4H5+H +1.100E+17 -1.407 +23454.0 ! *:_:* AA *:_:* 5.53350E+16 -1.407 23454 !C. CAVALLOTTI, D. POLINO, A. FRASSOLDATI, E. RANZI, J. PHYS. CHEM. A. 116 (2012) 3313�3324.
+CY13PD5J+CY13PD=>C6H6+NC4H5 +3.000E+29 -4.515 +40873.0 ! *:_:* AA *:_:* 1.48594E+29 -4.515 40873 !C. CAVALLOTTI, D. POLINO, A. FRASSOLDATI, E. RANZI, J. PHYS. CHEM. A. 116 (2012) 3313�3324.
+CY13PD5J+CY13PD=>STYR+C2H3 +2.400E+65 -14.200 +74645.0 ! *:_:* AA *:_:* 1.19399E+65 -14.20 74645 !C. CAVALLOTTI, D. POLINO, A. FRASSOLDATI, E. RANZI, J. PHYS. CHEM. A. 116 (2012) 3313�3324.
+2CY13PD5J=>C10H9+H +5.240E+14 -0.853 +3650.0 ! *:_:* AA *:_:* DERIVED FROM CAVALLOTTI AND POLINO PROCEEDINGS OF THE COMBUSTION INSTITUTE, VOLUME 34, ISSUE 1, 2013, PAGES 557-564
+C6H5C4H5+H=C6H6+NC4H5 +7.000E+12 +0.000 +4460.0 ! *:_:* AA *:_:* LITERATURE REVIEW
+C6H5C4H5+H=STYR+C2H3 +7.000E+12 +0.000 +4460.0 ! *:_:* AA *:_:* LITERATURE REVIEW
+C6H5C4H5+H=C6H5CCH2+C2H4 +7.000E+12 +0.000 +4460.0 ! *:_:* AA *:_:* LITERATURE REVIEW
+C6H5C4H5+OH=C6H5OH+NC4H5 +7.800E+02 +2.880 +3221.0 ! *:_:* AA *:_:* 2006SET/NAK5081-5090
+H+IND=>C6H5+0.5C3H4-A+0.5C3H4-P +2.500E+12 +0.000 +3000.0 ! *:_:* AA *:_:*
+OH+IND=>C6H5+C2H4+CO +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C10H10+OH=CXOCXCCJ+C6H6 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* +!
+C10H10+O2=C10H9+HO2 +4.000E+13 +0.000 +37150.0 ! *:_:* AA *:_:*
+C10H10+HO2=C10H9+H2O2 +1.100E+04 +2.600 +12900.0 ! *:_:* AA *:_:*
+C10H10+CY13PD5J=CY13PD+C10H9 +1.100E+11 +0.000 +5505.0 ! *:_:* AA *:_:* !!1997BUR/DVI505-514
+C10H10+NC4H5=C10H9+C4H6 +1.000E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+C10H9+HO2=>C6H5CHO+C3H3+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* 1/2 C6H5CH2+HO2
+C10H10+C2H3=C10H9+C2H4 +1.200E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+C10H10+C6H5OJ=C10H9+C6H5OH +3.160E+11 +0.000 +8000.0 ! *:_:* AA *:_:*
+C10H10+CH3=C10H9+CH4 +1.800E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+C10H10+C6H5=C10H9+C6H6 +1.000E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+H=C2H2+C3H5-A +3.870E+36 -6.180 +32890.0 ! *:_:* AA *:_:* ! 7.74E+36 -6.18 32890.0 RATE /2
+CY13PD5J=C3H3+C2H2 +1.980E+68 -15.000 +124900.0 ! *:_:* AA *:_:*
+CY13PD5J+O=CYPDONE+H +5.800E+13 -0.020 +20.0 ! *:_:* AA *:_:*
+CY13PD5J+OH=CYC5H4OH+H +3.500E+57 -12.180 +48350.0 ! *:_:* AA *:_:*
+CY13PD5J+OH=C4H6+CO +4.000E+14 +0.000 +4500.0 ! *:_:* AA *:_:*
+CY13PD5J+O2=CXCCXCXO+HCO +6.000E+18 -2.480 +10970.0 ! *:_:* AA *:_:*
+CXCCXCXO+O=CH2CHO+HCCO +3.000E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+CXCCXCXO+OH=C3H5-A+CO2 +3.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CXCCXCXO+OH=C2H2+HCCO+H2O +2.020E+13 +0.000 +5933.0 ! *:_:* AA *:_:* PITZ2001
+CJCXCC#C+H=CY13PD +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CJCXCC#C+H=C5H6-L +1.000E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+C5H6-L+O=CJCXCC#C+OH +1.000E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+C5H6-L+OH=CJCXCC#C+H2O +1.000E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H4OH+H=CYC5H5OH +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H4OH+H=CYPDONE+H2 +2.100E+13 +0.000 +54000.0 ! *:_:* AA *:_:*
+CYC5H4OH+O2=CYPDONE+HO2 +3.000E+13 +0.000 +5000.0 ! *:_:* AA *:_:*
+CYPDONE+O=C4H4+CO2 +1.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+CYPDONE+H=CPDJONE+H2 +2.000E+12 +0.000 +8100.0 ! *:_:* AA *:_:*
+CPDJONE+H=CYPDONE +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CPDJONE+O2=>CO2+C2H2+HCCO +9.700E+58 -13.470 +38180.0 ! *:_:* AA *:_:*
+CYC5H7U1=CXCCJCXC +3.200E+15 +0.000 +39500.0 ! *:_:* AA *:_:*
+CYC5H7U1+H=CY13PD+H2 +3.600E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H7U1+O=CY13PD+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H7U1+OH=CY13PD+H2O +2.400E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+H=CXCCJCXC +1.100E+14 -0.160 +3100.0 ! *:_:* AA *:_:*
+CY13PD+O=CYC5H5OJ+H +8.900E+12 -0.150 +590.0 ! *:_:* AA *:_:*
+ DUP
+CY13PD+O=CYC5H5OJ+H +5.600E+12 -0.060 +200.0 ! *:_:* AA *:_:*
+ DUP
+CY13PD+OH=C*CCJC*COH +1.100E+13 -0.070 +870.0 ! *:_:* AA *:_:*
+CY13PD+HO2=CYC5H7U1+O2 +1.300E+15 -1.070 +9530.0 ! *:_:* AA *:_:*
+CY13PD+C4H5=CY13PD5J+C4H6 +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CXCCJCXC+O=C2H3CHO+C2H3 +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CXOCCCJCXO+O2=CXOCCCXO+HOCO +6.300E+05 -7.250 +33600.0 ! *:_:* AA *:_:*
+C*CCJC*COH+O2=HOC*CC*O+CH2CHO +1.200E+36 -7.250 +33600.0 ! *:_:* AA *:_:*
+HOC*CC*O+OH=HOC*CCJ*O+H2O +2.690E+10 +0.760 -340.0 ! *:_:* AA *:_:*
+HOC*CC*O+HO2=HOC*CCJ*O+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+HOC*CC*O+CH3=HOC*CCJ*O+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* AA *:_:*
+HOC*CC*O+O=HOC*CCJ*O+OH +7.180E+12 +0.000 +1389.0 ! *:_:* AA *:_:*
+HOC*CC*O+O2=HOC*CCJ*O+HO2 +2.000E+13 +0.000 +40700.0 ! *:_:* AA *:_:*
+HOC*CC*O+H=HOC*CCJ*O+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* AA *:_:*
+C2H2OH+CO=HOC*CCJ*O +1.510E+11 +0.000 +4810.0 ! *:_:* AA *:_:*
+DHCO2J=HOCO+CO2 +3.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:*
+C2H3CHCHO+O2=C2H3CHO+HOCO +1.200E+36 -7.250 +33600.0 ! *:_:* AA *:_:*
+HOCO=CO+OH +1.186E+14 +0.130 +36460.0 ! *:_:* AA *:_:*
+HOCO=CO2+H +8.220E+11 +0.410 +35340.0 ! *:_:* AA *:_:*
+NAPH=NAPH-+H +8.600E+60 -12.480 +148076.0 ! *:_:* AA *:_:*
+NAPH+H=NAPH-+H2 +2.650E+08 +1.870 +17096.1 ! *:_:* AA *:_:*
+NAPH+OH=NAPH-+H2O +9.630E+02 +3.020 +4373.8 ! *:_:* AA *:_:*
+NAPH=NAPH*+H +8.600E+60 -12.480 +148076.0 ! *:_:* AA *:_:*
+NAPH+H=NAPH*+H2 +2.650E+08 +1.870 +17096.1 ! *:_:* AA *:_:*
+NAPH+OH=NAPH*+H2O +9.630E+02 +3.020 +4373.8 ! *:_:* AA *:_:*
+NAPH+C2H3=NAPH-+C2H4 +4.080E-01 +4.020 +8803.0 ! *:_:* AA *:_:* ! 2004TOK/LIN9697-9714 C6H6+C2H3
+NAPH+C2H3=NAPH*+C2H4 +4.080E-01 +4.020 +8803.0 ! *:_:* AA *:_:* ! 2004TOK/LIN9697-9714 C6H6+C2H3
+NAPH*+O2=NAPHO+O +8.570E+20 -2.270 +7189.3 ! *:_:* AA *:_:*
+NAPH*+O=NAPHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPH*+OH=NAPHO+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPH-+O2=NAPHO+O +8.570E+20 -2.270 +7189.3 ! *:_:* AA *:_:*
+NAPH-+O=NAPHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPH-+OH=NAPHO+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPHO=C9H7+CO +2.900E+10 +0.000 +36424.5 ! *:_:* AA *:_:*
+NAPHO+O=>C9H6O+CO+H +1.680E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPHO+O2=>C9H6O+CO+OH +6.510E+07 +1.300 +17667.3 ! *:_:* AA *:_:*
+C9H7+H=IND +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+IND+O2=C9H7+HO2 +4.000E+13 +0.000 +37150.0 ! *:_:* AA *:_:*
+IND+HO2=C9H7+H2O2 +1.100E+04 +2.600 +12900.0 ! *:_:* AA *:_:*
+IND+OH=C9H7+H2O +3.080E+06 +2.000 +0.0 ! *:_:* AA *:_:*
+IND+H=C9H7+H2 +1.700E+05 +2.500 +2484.0 ! *:_:* AA *:_:*
+IND+O=C9H7+OH +4.800E+04 +2.710 +1100.0 ! *:_:* AA *:_:*
+IND+C2H3=C9H7+C2H4 +1.200E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+IND+C6H5OJ=C9H7+C6H5OH +3.160E+11 +0.000 +8000.0 ! *:_:* AA *:_:*
+IND+CH3=C9H7+CH4 +1.800E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+IND+C6H5=C9H7+C6H6 +1.000E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+IND+H=C3H3+C6H6 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* !!!MM
+C9H6O=>O-C6H4+C2H2+CO +3.370E+44 -8.000 +108675.9 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+O=C9H6O+H +2.800E+13 +0.000 +0.0 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+O2=C9H6O+OH +1.740E+07 +1.300 +17667.3 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+HO2=>C9H6O+H+OH +1.240E+13 +0.000 +0.0 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+OH=>C9H6O+H2 +4.080E+12 +0.000 +0.0 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C3H3+NAPH=>FLUORENE+H +3.000E+12 +0.000 +23000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+CY13PD5J+NAPH=>C14H10+CH3 +3.000E+12 +0.000 +23000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+C6H5+NAPH=>C16H10+H+H2 +3.000E+12 +0.000 +10000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+C6H5CH2J+NAPH=>0.28571C16H10+0.571425BIN1A+CH3 +3.000E+12 +0.000 +23000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+C2H2+NC4H5=FULVENE+H +1.230E+20 -2.000 +16200.0 ! *:_:* AA *:_:* !!!!!!2007SEN/MIL3740-3747
+C6H5C2H5=C6H6+C2H4 +1.150E+09 +0.000 +51699.0 ! *:_:* AA *:_:* CLARK AND PRICE 1970 CAN. J. CHEM. VOL. 48
+C6H5C2H5=STYR+H2 +5.010E+12 +0.000 +63988.0 ! *:_:* AA *:_:* CLARK AND PRICE 1970 CAN. J. CHEM. VOL. 48
+C6H5C2H4S+O=C6H5+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4S+O=C6H5CHO+CH3 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4S+OH=C6H5CHO+CH4 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+2C4H4=STYR +1.480E+14 +0.000 +38003.0 ! *:_:* AA *:_:* 84LUN/HEI
+STYR+HO2=C6H5C2H2+H2O2 +7.500E+10 +0.000 +14190.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+HO2=C6H5CCH2+H2O2 +7.500E+10 +0.000 +13190.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+O=C6H5CH2J+HCO +1.200E+08 +1.400 +530.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. !
+STYR+C6H5=C6H5C2H2+C6H6 +2.000E+11 +0.000 +20000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+C6H5=C6H5CCH2+C6H6 +2.000E+11 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+C6H5OJ=C6H5C2H2+C6H5OH +2.000E+11 +0.000 +20000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+C6H5OJ=C6H5CCH2+C6H5OH +2.000E+11 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+CY13PD5J=C6H5CCH2+CY13PD +2.000E+11 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+OH=C6H4C2H3+H2O +1.630E+07 +1.420 +1454.0 ! *:_:* AA *:_:* MARINOV 1996
+STYR+H=>C6H4C2H3+H2 +1.900E+07 +2.000 +9698.0 ! *:_:* AA *:_:* ELLIS 2003
+STYR+HO2=>C6H5CH2J+HCO+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.*3
+STYR+HO2=>C6H5CHO+CH2+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.*3
+C6H5C2H2+H=C6H5CCH2+H +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H5C2H2=C6H5C2H+H +3.000E+12 +0.000 +37830.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H2+O2=C6H5CHO+HCO +2.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H2+C6H5=C6H5C2H+C6H6 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+O2=C6H5CJO+CH2O +2.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+O=C6H5+CH2CO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2=C6H5C2H+H +3.000E+12 +0.000 +48030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+C6H5=C6H5C2H+C6H6 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+OH=C6H5C2H+H2O +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H5CCH2+H=C6H5C2H+H2 +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H5CH2HCO+O2=>C6H5CH2CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+HO2=>C6H5CH2CO+H2O2 +4.095E+04 +2.500 +10204.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+OH=>C6H5CH2CO+H2O +2.690E+08 +1.350 -1574.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+O=>C6H5CH2CO+OH +5.850E+12 +0.000 +1808.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+H=>C6H5CH2CO+H2 +4.095E+09 +1.160 +2404.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+CH3=>C6H5CH2CO+CH4 +3.498E-08 +6.210 +1639.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO=>C6H5CH2J+HCO +5.000E+16 +0.000 +71600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+H=C6H6+CH2CHO +5.780E+13 +0.000 +8088.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CO=C6H5CH2J+CO +3.980E+14 +0.000 +29401.0 ! *:_:* AA *:_:* 71SOL/BEN2
+C6H5CH2CO+O2=C6H5CH2OJ+CO2 +3.000E+10 +0.000 +2870.0 ! *:_:* AA *:_:* EST/C3H3+O2
+C6H5CH2CO+HO2=>C6H5CH2J+CO2+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* EST/RAD+HO2
+C6H5+CH2CO=C6H5CH2CO +3.200E+04 +2.400 +489.0 ! *:_:* AA *:_:* CHOI AND LIN 2004 CHEMPHYSCHEM VOL. 5 PP. 225-232
+C6H5+CH2CO=C6H5COCH2 +6.200E+19 -2.300 +15083.0 ! *:_:* AA *:_:* CHOI AND LIN 2004 CHEMPHYSCHEM VOL. 5 PP. 225-232
+C6H5C2H+OH=>C6H6+HCCO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+H=C6H4C2H+H2 +5.000E+13 -0.480 +1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+OH=C6H4C2H+H2O +1.050E+13 +0.000 +4565.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+C2H=C6H4C2H+C2H2 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+O=C6H5CCO+H +4.800E+09 +1.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+CH3=C6H4C2H+CH4 +1.670E+12 +0.000 +15057.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H4C2H+C2H2=A1C2HAC +1.900E+21 -2.930 +8100.0 ! *:_:* AA *:_:* 94WANG/FRENK 10BAR 28/10/04
+C6H4C2H+C2H2=A2-X +5.100E+48 -10.530 +28000.0 ! *:_:* AA *:_:* 94WANG/FRENK 10BAR 28/10/04
+C6H4C2H+H=C6H5C2H +4.200E+11 +0.480 -71.7 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCO+O2=C6H5CJO+CO2 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CHCO+OH=C6H5CH2J+CO2 +3.730E+12 +0.000 -1010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CHCO+H=C6H5CH2J+CO +4.400E+12 +0.000 +1459.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CHCO+O=C6H5CHO+CO +3.200E+12 +0.000 -437.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ(+M)=C6H5CH2J+C2H5(+M) +2.304E+22 -1.586 +77244.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 9.9950E+074 -17.210 5.9050E+04 /
+ TROE / 8.6645E-05 2.1360E+02 2.1360E+02 3.5653E+03 /
+PBZ(+M)=C6H5C2H4P+CH3(+M) +7.060E+20 -1.268 +89013.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 3.6320E+047 -9.310 6.8670E+04 /
+ TROE / 7.9892E-02 4.4217E+02 1.5453E+10 2.7729E+03 /
+PBZ(+M)=C6H5+NC3H7(+M) +1.256E+22 -1.318 +102320.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 6.7090E+041 -7.340 8.4810E+04 /
+ TROE / 2.5666E-01 5.4281E+02 3.9319E+12 3.2173E+03 /
+PBZ=PBZJA+H +9.000E+15 +0.000 +100210.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ=PBZJB+H +6.000E+15 +0.000 +99110.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ=PBZJC+H +6.000E+15 +0.000 +86210.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+O2=PBZJA+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O2=PBZJB+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O2=PBZJC+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+H=NC3H7+C6H6 +2.400E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+H=PBZJA+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+H=PBZJB+H2 +1.300E+06 +2.400 +4470.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+H=PBZJC+H2 +3.376E+05 +2.360 +207.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O=PBZJA+OH +9.800E+05 +2.430 +4750.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O=PBZJB+OH +5.510E+05 +2.450 +2830.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O=PBZJC+OH +6.600E+05 +2.430 +1210.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+OH=PBZJA+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+OH=PBZJB+H2O +4.670E+07 +1.610 -35.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+OH=PBZJC+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+HO2=PBZJA+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+HO2=PBZJB+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+HO2=PBZJC+H2O2 +6.800E+03 +2.550 +10114.0 ! *:_:* AA *:_:* !!WALKER
+PBZ+CH3=PBZJA+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3=PBZJB+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3=PBZJC+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+C2H3=PBZJA+C2H4 +6.000E+02 +3.300 +10502.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H3=PBZJB+C2H4 +1.000E+03 +3.100 +8829.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H3=PBZJC+C2H4 +1.000E+03 +3.100 +8829.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H5=PBZJA+C2H6 +3.160E+11 +0.000 +12300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H5=PBZJB+C2H6 +5.010E+10 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H5=PBZJC+C2H6 +5.010E+10 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-A=PBZJA+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-A=PBZJB+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-A=PBZJC+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-T=PBZJA+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-T=PBZJB+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-T=PBZJC+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-S=PBZJA+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-S=PBZJB+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-S=PBZJC+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5=PBZJA+C6H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5=PBZJB+C6H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5=PBZJC+C6H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5CH2J=PBZJA+C6H5CH3 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5CH2J=PBZJB+C6H5CH3 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5CH2J=PBZJC+C6H5CH3 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5C2H4S=PBZJA+C6H5C2H5 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5C2H4S=PBZJB+C6H5C2H5 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5C2H4S=PBZJC+C6H5C2H5 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+CH3O=PBZJA+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3O=PBZJB+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3O=PBZJC+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5CH2J+C2H4=PBZJA +4.000E+11 +0.000 +13050.0 ! *:_:* AA *:_:* BASED ON C2H4+C3H5-A<=>C5H91-5
+C6H5+C3H6=PBZJB +1.700E+04 +2.470 +735.0 ! *:_:* AA *:_:* FROM 2006PAR/NAM8729-8735
+STYR+CH3=PBZJC +6.000E+10 +0.000 +7500.0 ! *:_:* AA *:_:* BASED ON C4H6+CH3 PBZJC=C6H5C2H3+CH3
+CR3+H=PBZJA +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR3+H=PBZJB +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR4+H=PBZJB +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR4+H=PBZJC +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZJB+O=C6H5CH2J+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJB+OH=C6H5CH3+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJB+HO2=>C6H5CH2J+CH3CHO+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJC+O=C6H5CHO+C2H5 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJC+OH=C6H5CHO+C2H6 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJC+HO2=PBOJ+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* BASED ON C6H5CH2+HO2
+PBOJ=C6H5CHO+C2H5 +1.000E+13 +0.000 +26000.0 ! *:_:* AA *:_:*
+PBOJ=PBO+H +1.000E+14 +0.000 +29100.0 ! *:_:* AA *:_:* REF C3H5O
+C6H5+C2H5CO=PBO +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* ESTIMATED
+PBZJA+O2=PBZAOO +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZJB+O2=PBZBOO +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZJC+O2=PBZCOO +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+PBZAOO=CR3+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=CR3+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=CR4+HO2 +1.000E+10 +0.860 +27600.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323.
+PBZCOO=CR4+HO2 +5.000E+10 +0.760 +27200.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323. /2
+PBZAOO=PBOOHA-B +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZAOO=PBOOHA-C +2.500E+10 +0.000 +18450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=PBOOHB-A +3.000E+11 +0.000 +29000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=PBOOHB-C +2.000E+11 +0.000 +24450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZCOO=PBOOHC-A +3.750E+10 +0.000 +24000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZCOO=PBOOHC-B +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR4=PBOOHA-B +2.000E+10 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR4=PBOOHB-A +2.000E+10 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR3=PBOOHC-B +1.000E+11 +0.000 +12000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR3=PBOOHB-C +1.000E+11 +0.000 +11000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+STYR+CH2O2H=PBOOHA-C +8.500E+10 +0.000 +8300.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-A=OH+C2H4+C6H5CHO +3.000E+13 +0.000 +23000.0 ! *:_:* AA *:_:* ESTIMATED BASED ON M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-B=CYC3AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-C=CYCLO4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHB-A=CYC3AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHB-C=CYC3CB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-A=CYCLO4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-B=CYC3CB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+O2=C6H5CCH2+CH2O+HO2 +2.040E+07 +2.000 +40722.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+H=C6H5CCH2+CH2O+H2 +2.570E+07 +2.000 +3950.6 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+OH=C6H5CCH2+CH2O+H2O +4.790E+06 +2.000 -2259.8 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+O=C6H5CCH2+CH2O+OH +1.620E+07 +2.000 +2579.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+HO2=C6H5CCH2+CH2O+H2O2 +6.460E+05 +2.000 +11887.7 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4=C2H4+C6H5CHO +1.000E+16 +0.000 +71000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+O2=C6H5C2H2+CH2O+HO2 +2.040E+07 +2.000 +40722.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+H=C6H5C2H2+CH2O+H2 +2.570E+07 +2.000 +3950.6 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+OH=C6H5C2H2+CH2O+H2O +4.790E+06 +2.000 -2259.8 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+O=C6H5C2H2+CH2O+OH +1.620E+07 +2.000 +2579.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+HO2=C6H5C2H2+CH2O+H2O2 +6.460E+05 +2.000 +11887.7 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+O2=C6H5+CH3CHCO+HO2 +2.040E+07 +2.000 +40722.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+H=C6H5+CH3CHCO+H2 +2.570E+07 +2.000 +3950.6 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+OH=C6H5+CH3CHCO+H2O +4.790E+06 +2.000 -2259.8 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+O=C6H5+CH3CHCO+OH +1.620E+07 +2.000 +2579.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+HO2=C6H5+CH3CHCO+H2O2 +6.460E+05 +2.000 +11887.7 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-B+O2=PBOOHAOOB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-C+O2=PBOOHAOOC +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+PBOOHB-A+O2=PBOOHBOOA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHB-C+O2=PBOOHBOOC +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+PBOOHC-A+O2=PBOOHCOOA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-B+O2=PBOOHCOOB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBENOOH=OH+CH2O+C6H5C2H2 +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHAOOB=PBKETAB+OH +2.000E+11 +0.000 +26000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHAOOC=PBKETAC+OH +2.500E+10 +0.000 +21000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHBOOA=PBKETBA+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHBOOC=PBKETBC+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHCOOA=PBKETCA+OH +6.250E+09 +0.000 +16450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHCOOB=PBKETCB+OH +1.000E+11 +0.000 +24450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHAOOC=C6H5CHO+OH+C2H3OOH +5.000E+10 +0.000 +20450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETAB=OH+HCOHCO+C6H5CH2J +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETAC=OH+C6H5CHO+CH2CHO +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETBA=OH+CO+CH2O+C6H5CH2J +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETBC=OH+C6H5CHO+CH3CO +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETCA=OH+CH2O+CH2CO+C6H5 +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETCB=OH+CH3CHO+C6H5CJO +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR3=C6H5CH2J+C2H3 +8.000E+15 +0.000 +88500.0 ! *:_:* AA *:_:* +!
+C6H5C3H4+H=CR3 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+CR3+H=C6H5C3H4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* AA *:_:*
+CR3+O=C6H5C3H4+OH +6.600E+05 +2.430 +1210.0 ! *:_:* AA *:_:*
+CR3+OH=C6H5C3H4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* AA *:_:*
+CR3+HO2=C6H5C3H4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:*
+CR3+O2=C6H5C3H4+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* AA *:_:*
+CR3+CH3=C6H5C3H4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* AA *:_:*
+CR3+C6H5=C6H5C3H4+C6H6 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+C6H5CH2J=C6H5C3H4+C6H5CH3 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+C6H5C2H4P=C6H5C3H4+C6H5C2H5 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+H=C6H6+C3H5-A +5.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+HO2=>C6H5C2H4P+HCO+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+HO2=>C6H5CH2CO+CH3+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+O=STYR+CH2O +7.020E+07 +1.570 -1628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+O=C6H5CHO+C2H4 +4.689E+07 +1.570 -1628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+OH=>C6H5C2H4P+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+OH=>C6H5CH2HCO+CH3 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4=C6H5C2H2+CH3 +3.000E+17 +0.000 +99000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4=C6H5+C3H5-S +8.000E+15 +0.000 +163800.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+H=CR4 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+CR4+H=C6H5C3H4+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* AA *:_:*
+CR4+O=C6H5C3H4+OH +4.410E+05 +2.420 +3150.0 ! *:_:* AA *:_:*
+CR4+OH=C6H5C3H4+H2O +3.120E+06 +2.000 -1298.0 ! *:_:* AA *:_:*
+CR4+HO2=C6H5C3H4+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* AA *:_:*
+CR4+O2=C6H5C3H4+HO2 +3.300E+12 +0.000 +39900.0 ! *:_:* AA *:_:*
+CR4+CH3=C6H5C3H4+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+CR4+C6H5=C6H5C3H4+C6H6 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+C6H5CH2J=C6H5C3H4+C6H5CH3 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+C6H5C2H4P=C6H5C3H4+C6H5C2H5 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+O=C6H5CHO+C2H4 +7.000E+07 +1.570 -628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+O=STYR+CH2O +4.700E+07 +1.570 -628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=>C6H5CHO+C2H5 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=>C6H5CH2J+CH3CHO +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=CC6H5C3H5OHB +4.750E+12 +0.000 -782.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=BC6H5C3H5OHC +4.750E+12 +0.000 -782.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+HO2=COC6H5C3H4-1+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+HO2=AOC6H5C3H4-2+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+CH3O2=COC6H5C3H4-1+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+CH3O2=AOC6H5C3H4-2+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+C2H5O2=COC6H5C3H4-1+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+C2H5O2=AOC6H5C3H4-2+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+NC3H7O2=COC6H5C3H4-1+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+NC3H7O2=AOC6H5C3H4-2+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+IC3H7O2=COC6H5C3H4-1+IC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+IC3H7O2=AOC6H5C3H4-2+IC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+O2=C6H5CHO+CH2CHO +1.060E+10 +0.340 +12838.0 ! *:_:* AA *:_:* BOZELLI IDEM C3H5-A
+COC6H5C3H4-1=C6H5CHO+C2H3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+AOC6H5C3H4-2=CH2O+C6H5C2H2 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C3H5OHB+O2=PBZOHBQJC +4.580E+11 +0.000 -378.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C3H5OHC+O2=PBZOHCQJB +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C3H5OHA+O2=PBZOHAQJB +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+AC6H5C3H5OHB+O2=PBZOHBQJA +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHBQJC=C6H5CHO+CH3CHO+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHCQJB=C6H5CHO+CH3CHO+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHAQJB=C6H5CH2HCO+CH2O+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHBQJA=C6H5CH2HCO+CH2O+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+O2=>C6H5C2H4CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+HO2=>C6H5C2H4CO+H2O2 +1.700E+12 +0.000 +10700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+OH=>C6H5C2H4CO+H2O +2.350E+10 +0.730 -1113.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+O=>C6H5C2H4CO+OH +5.850E+12 +0.000 +1808.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+H=>C6H5C2H4CO+H2 +5.540E+02 +3.500 +5167.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+CH3=>C6H5C2H4CO+CH4 +2.250E+00 +4.000 +8285.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO=>C6H5C2H4P+HCO +5.000E+16 +0.000 +72250.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4CO=C6H5C2H4P+CO +8.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4CO+HO2=>C6H5C2H4P+CO2+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2COCH2=C6H5CH2J+CH2CO +4.000E+13 +0.000 +13500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2COCH2+O2=C6H5CH2COCH2O2 +9.000E+18 -2.500 +0.0 ! *:_:* AA *:_:* BUDA ET AL., COMBUST FLAME, 142 (2005) 170-186 (KS)
+C6H5CH2COCH2O2+HO2=C6H5CH2COCH2O2H+O2 +2.290E+11 +0.000 -1790.0 ! *:_:* AA *:_:* ATKINSON ET AL., 2001
+C6H5CH2COCH2O2H=C6H5CH2COCH2O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CO+CH2O=C6H5CH2COCH2O +1.500E+11 +0.000 +11900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H4=C6H5CJO+C2H4 +4.000E+13 +0.000 +27870.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H4+O2=C6H5COC2H3+HO2 +5.000E+12 +0.000 +5000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H4+O2=C6H5COCH2CH2O2 +9.000E+18 -2.500 +0.0 ! *:_:* AA *:_:* BUDA ET AL., COMBUST FLAME, 142 (2005) 170-186 (KS)
+C6H5COCH2CH2O2+HO2=C6H5COCH2CH2O2H+O2 +2.290E+11 +0.000 -1790.0 ! *:_:* AA *:_:* ATKINSON ET AL., 2001
+C6H5COCH2CH2O2H=C6H5COCH2CH2O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COCH2+CH2O=C6H5COCH2CH2O +1.500E+11 +0.000 +11900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H3=>C6H5CJO+C2H3 +1.219E+23 -1.990 +83950.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H3=>C6H5+C2H3CO +1.219E+23 -1.990 +83950.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CHCO+OH=C6H5C2H4P+CO2 +3.730E+12 +0.000 -1010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CHCO+H=C6H5C2H4P+CO +4.400E+12 +0.000 +1459.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CHCO+O=C6H5CH2HCO+CO +3.200E+12 +0.000 -437.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H9(+M)=PBZJA+CH3(+M) +3.293E+21 -1.593 +88922.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 1.5950E+034 -5.630 5.4290E+04 /
+ TROE / 2.4108E-02 3.5084E+02 1.1934E+13 2.3171E+03 /
+C6H5C4H9(+M)=C6H5CH2J+NC3H7(+M) +2.304E+22 -1.586 +77244.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 2.308E+075 -17.230 5.9090E+04 /
+ TROE / 3.0457E-03 1.6198E+02 1.7113E+02 3.4175E+03 /
+C6H5C4H9(+M)=PC4H9+C6H5(+M) +2.543E+20 -1.239 +102520.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 1.2680E+020 -1.520 6.7180E+04 /
+ TROE / 1.8958E-01 4.4279E+02 1.5466E+10 2.7342E+03 /
+C6H5C4H9(+M)=C6H5C2H4P+C2H5(+M) +1.144E+24 -2.218 +87260.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 3.6430E+038 -6.790 5.2480E+04 /
+ TROE / 3.0486E-03 3.3769E+02 7.7939E+12 2.2580E+03 /
+C6H5C4H9=AC6H5C4H8+H +1.760E+17 -0.360 +101200.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9=BC6H5C4H8+H +2.610E+18 -0.700 +98686.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9=CC6H5C4H8+H +2.610E+18 -0.700 +98686.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9=DC6H5C4H8+H +1.680E+14 +0.170 +86365.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9+O2=DC6H5C4H8+HO2 +2.000E+12 +0.000 +38700.0 ! *:_:* AA *:_:* 1994BAU/COB847-1033 -1000
+C6H5C4H9+O2=CC6H5C4H8+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O2=BC6H5C4H8+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O2=AC6H5C4H8+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=C6H6+PC4H9 +9.600E+13 +0.000 +5123.0 ! *:_:* AA *:_:* ROBAUGH AND TSANG 1986 J. PHYS. CHEM. VOL. 90 PP.4159-4163 ; MULTIPLIED BY 4
+C6H5C4H9+OH=C6H5OH+PC4H9 +7.830E+02 +2.880 +3221.0 ! *:_:* AA *:_:* IDEM TOLUENE SETA 2006 J.PHYS.CHEM.A VOL.110 P.5081
+C6H5C4H9+OH=DC6H5C4H8+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+OH=BC6H5C4H8+H2O +4.670E+07 +1.610 -35.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+OH=CC6H5C4H8+H2O +4.670E+07 +1.610 -35.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+OH=AC6H5C4H8+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=AC6H5C4H8+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=BC6H5C4H8+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=CC6H5C4H8+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=DC6H5C4H8+H2O2 +6.800E+03 +2.550 +10110.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=AC6H5C4H8+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=BC6H5C4H8+H2 +1.300E+06 +2.400 +4470.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=CC6H5C4H8+H2 +1.300E+06 +2.400 +4470.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=DC6H5C4H8+H2 +3.376E+05 +2.360 +207.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=DC6H5C4H8+OH +6.600E+05 +2.430 +1210.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=CC6H5C4H8+OH +5.510E+05 +2.450 +2830.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=BC6H5C4H8+OH +5.510E+05 +2.450 +2830.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=AC6H5C4H8+OH +9.800E+05 +2.430 +4750.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=AC6H5C4H8+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=BC6H5C4H8+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=CC6H5C4H8+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=DC6H5C4H8+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5=DC6H5C4H8+C2H6 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H5=CC6H5C4H8+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H5=BC6H5C4H8+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H5=AC6H5C4H8+C2H6 +1.580E+11 +0.000 +12300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=DC6H5C4H8+C2H4 +2.600E+12 +0.000 +6012.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=CC6H5C4H8+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=BC6H5C4H8+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=AC6H5C4H8+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=DC6H5C4H8+C3H8 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=CC6H5C4H8+C3H8 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=BC6H5C4H8+C3H8 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=AC6H5C4H8+C3H8 +1.580E+11 +0.000 +12300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=DC6H5C4H8+C3H6 +2.800E+12 +0.000 +11219.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=CC6H5C4H8+C3H6 +3.160E+11 +0.000 +16400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=BC6H5C4H8+C3H6 +3.160E+11 +0.000 +16400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=AC6H5C4H8+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+CH3O=DC6H5C4H8+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O=CC6H5C4H8+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O=BC6H5C4H8+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O=AC6H5C4H8+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=DC6H5C4H8+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=CC6H5C4H8+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=BC6H5C4H8+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=AC6H5C4H8+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=DC6H5C4H8+C2H5O2H +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=CC6H5C4H8+C2H5O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=BC6H5C4H8+C2H5O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=AC6H5C4H8+C2H5O2H +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=DC6H5C4H8+NC3H7O2H +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=CC6H5C4H8+NC3H7O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=BC6H5C4H8+NC3H7O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=AC6H5C4H8+NC3H7O2H +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C3H6+C6H5CH2J=BC6H5C4H8 +4.000E+11 +0.000 +16900.0 ! *:_:* AA *:_:* !!!!BASED ON C3H5-A+C3H6=C6H111-5 8.500E+10 0.00 7800.0 !
+C6H5C2H4P+C2H4=AC6H5C4H8 +6.600E+03 +2.480 +6130.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+STYR+C2H5=DC6H5C4H8 +4.250E+10 +0.000 +8300.0 ! *:_:* AA *:_:* !MM BASED ON C2H5+C4H6=C6H111-3 !! 2.000E+13 0.00 33385.0 ! ESTIMATIONDEAN
+CH3+CR3=CC6H5C4H8 +1.760E+04 +2.480 +6130.0 ! *:_:* AA *:_:* !MM BASED ON CH3+C3H6
+C6H5+C4H8-1=CC6H5C4H8 +1.700E+04 +2.470 +735.0 ! *:_:* AA *:_:* !MM LIKE NPZ!! 2.000E+13 0.00 35900.0 ! ESTIMATIONDEAN
+C6H5C4H7-3+H=DC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-3+H=CC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-2+H=CC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-2+H=BC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-1+H=BC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-1+H=AC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H8QJD=C6H5C4H7-3+HO2 +5.000E+10 +0.760 +27200.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323. /2
+C6H5C4H8QJC=C6H5C4H7-3+HO2 +1.000E+10 +0.860 +27600.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323.
+C6H5C4H8QJC=C6H5C4H7-2+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=C6H5C4H7-2+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=C6H5C4H7-1+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.!
+C6H5C4H8QJB=C6H5C4H7-1+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+O=C6H5CHO+NC3H7 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H8+OH=C6H5CHO+C3H8 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H8+O=C6H5CH2J+C2H5CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CC6H5C4H8+OH=C6H5CH3+C2H5CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+BC6H5C4H8+O=C6H5C2H4P+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+BC6H5C4H8+OH=C6H5C2H5+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+AC6H5C4H8+O=CH2O+PBZJA +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+AC6H5C4H8+OH=PBZ+CH2O +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+AC6H5C4H8=DC6H5C4H8 +1.000E+12 +0.000 +29800.0 ! *:_:* AA *:_:* !MM BASED ON 1995HAN/WAL1431-1438 C6H111-6=C6H111-3
+AC6H5C4H8+O2=C6H5C4H8QJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+O2=C6H5C4H8QJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+O2=C6H5C4H8QJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+O2=C6H5C4H8QJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+DC6H5C4H8+HO2=C6H5C4H8OJD+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* BASED ON C6H5CH2+HO2
+CC6H5C4H8+HO2=C6H5C4H8OJC+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+HO2=C6H5C4H8OJB+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+HO2=C6H5C4H8OJA+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+CH3O2=C6H5C4H8OJD+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+CH3O2=C6H5C4H8OJC+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+CH3O2=C6H5C4H8OJB+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+CH3O2=C6H5C4H8OJA+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C2H5O2=C6H5C4H8OJD+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C2H5O2=C6H5C4H8OJC+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C2H5O2=C6H5C4H8OJB+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C2H5O2=C6H5C4H8OJA+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+NC3H7O2=C6H5C4H8OJD+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+NC3H7O2=C6H5C4H8OJC+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+NC3H7O2=C6H5C4H8OJB+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+NC3H7O2=C6H5C4H8OJA+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJD=2C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJD=C6H5C4H8OJC+C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJD=C6H5C4H8OJB+C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJD=C6H5C4H8OJA+C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJC=C6H5C4H8OJD+C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJC=2C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJC=C6H5C4H8OJB+C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJC=C6H5C4H8OJA+C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJB=C6H5C4H8OJD+C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJB=C6H5C4H8OJC+C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJB=2C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJB=C6H5C4H8OJA+C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJA=C6H5C4H8OJD+C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJA=C6H5C4H8OJC+C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJA=C6H5C4H8OJB+C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJA=2C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8OJD=C6H5CHO+NC3H7 +1.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJC=C6H5CH2J+C2H5CHO +1.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJC=C6H5CH2HCO+C2H5 +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJB=CH3+C6H5C2H4HCO +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJB=CH3CHO+C6H5C2H4P +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJA=CH2O+PBZJA +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 1.000E+15 0.00 21600.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD=BBZQDRC +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJD=BBZQDRB +2.500E+10 +0.000 +20450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJD=BBZQDRA +9.376E+09 +0.000 +21950.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJC=BBZQCRD +2.000E+11 +0.000 +24450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJC=BBZQCRB +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJC=BBZQCRA +3.750E+10 +0.000 +24000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=BBZQBRD +2.500E+10 +0.000 +18450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=BBZQBRC +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=BBZQBRA +3.000E+11 +0.000 +29000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=BBZQARD +3.125E+09 +0.000 +16650.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=BBZQARC +2.500E+10 +0.000 +20450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=BBZQARB +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJD+HO2=BBZQD+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+HO2=BBZQC+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+HO2=BBZQB+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+HO2=BBZQA+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+H2=BBZQD+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+H2=BBZQC+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+H2=BBZQB+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+H2=BBZQA+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH2O=BBZQD+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH2O=BBZQC+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH2O=BBZQB+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH2O=BBZQA+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3CHO=BBZQD+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3CHO=BBZQC+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3CHO=BBZQB+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3CHO=BBZQA+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H6=BBZQD+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H6=BBZQC+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H6=BBZQB+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H6=BBZQA+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C3H8=BBZQD+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C3H8=BBZQC+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C3H8=BBZQB+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C3H8=BBZQA+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C3H8=BBZQD+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C3H8=BBZQC+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C3H8=BBZQB+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C3H8=BBZQA+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H4=BBZQD+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H4=BBZQC+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H4=BBZQB+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H4=BBZQA+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H5CHO=BBZQD+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H5CHO=BBZQC+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H5CHO=BBZQB+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H5CHO=BBZQA+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H3CHO=BBZQD+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H3CHO=BBZQC+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H3CHO=BBZQB+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H3CHO=BBZQA+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3OH=BBZQD+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3OH=BBZQC+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3OH=BBZQB+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3OH=BBZQA+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C3H6=BBZQD+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C3H6=BBZQC+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C3H6=BBZQB+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C3H6=BBZQA+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH4=BBZQD+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH4=BBZQC+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH4=BBZQB+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH4=BBZQA+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C6H5CHO=BBZQD+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C6H5CHO=BBZQC+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C6H5CHO=BBZQB+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C6H5CHO=BBZQA+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C6H5CH2HCO=BBZQD+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C6H5CH2HCO=BBZQC+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C6H5CH2HCO=BBZQB+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C6H5CH2HCO=BBZQA+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C6H5C2H4HCO=BBZQD+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C6H5C2H4HCO=BBZQC+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C6H5C2H4HCO=BBZQB+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C6H5C2H4HCO=BBZQA+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=DC6H5C4H8+BBZQC +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=CC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=BC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=AC6H5C4H8+BBZQC +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=DC6H5C4H8+BBZQC +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=CC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=BC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=AC6H5C4H8+BBZQC +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=DC6H5C4H8+BBZQB +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=CC6H5C4H8+BBZQB +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=BC6H5C4H8+BBZQB +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=AC6H5C4H8+BBZQB +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=DC6H5C4H8+BBZQA +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=CC6H5C4H8+BBZQA +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=BC6H5C4H8+BBZQA +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=AC6H5C4H8+BBZQA +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3=C6H5C4H8OJD+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3=C6H5C4H8OJC+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3=C6H5C4H8OJB+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3=C6H5C4H8OJA+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H5=C6H5C4H8OJD+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H5=C6H5C4H8OJC+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H5=C6H5C4H8OJB+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H5=C6H5C4H8OJA+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+NC3H7=C6H5C4H8OJD+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+NC3H7=C6H5C4H8OJC+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+NC3H7=C6H5C4H8OJB+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+NC3H7=C6H5C4H8OJA+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+HO2=C6H5C4H8OJD+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+HO2=C6H5C4H8OJC+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+HO2=C6H5C4H8OJB+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+HO2=C6H5C4H8OJA+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3O2=C6H5C4H8OJD+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3O2=C6H5C4H8OJC+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3O2=C6H5C4H8OJB+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3O2=C6H5C4H8OJA+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H5O2=C6H5C4H8OJD+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H5O2=C6H5C4H8OJC+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H5O2=C6H5C4H8OJB+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H5O2=C6H5C4H8OJA+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+NC3H7O2=C6H5C4H8OJD+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+NC3H7O2=C6H5C4H8OJC+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+NC3H7O2=C6H5C4H8OJB+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+NC3H7O2=C6H5C4H8OJA+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+BBZQD=C6H5C4H8OJD+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQC=C6H5C4H8OJC+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQB=C6H5C4H8OJB+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQA=C6H5C4H8OJA+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-3+HO2=BBZQDRC +4.850E+11 +0.000 +10000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-3+HO2=BBZQCRD +4.850E+11 +0.000 +9000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-2+HO2=BBZQCRB +3.400E+11 +0.000 +11800.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-2+HO2=BBZQBRC +3.400E+11 +0.000 +11800.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-1+HO2=BBZQBRA +5.000E+11 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-1+HO2=BBZQARB +5.000E+11 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-3+OH=BBZOHCRD +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=BBZOHDRC +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=BBZOHBRC +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=BBZOHCRB +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=BBZOHARB +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=BBZOHBRA +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=C6H5CHO+NC3H7 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=C6H5CH2J+C2H5CHO +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=C6H5C2H4P+CH3CHO +5.200E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=C6H5C2H4HCO+CH3 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=PBZJA+CH2O +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+H=C6H6+C4H71-4 +4.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+H=C6H6+C4H71-3 +4.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+H=C6H6+C4H71-1 +4.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=BC6H5C4H6-3+H2O +3.000E+06 +2.000 -1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=BC6H5C4H6-3+H2O +3.000E+06 +2.000 -1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=CC6H5C4H6-1+H2O +3.000E+06 +2.000 -300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=CC6H5C4H6-1+H2O +3.000E+06 +2.000 -1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=DC6H5C4H6-1+H2O +2.650E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+HO2=BC6H5C4H6-3+H2O2 +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+HO2=BC6H5C4H6-3+H2O2 +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+HO2=CC6H5C4H6-1+H2O2 +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+HO2=DC6H5C4H6-1+H2O2 +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+C2H5=BC6H5C4H6-3+C2H6 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+C2H5=BC6H5C4H6-3+C2H6 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H5=CC6H5C4H6-1+C2H6 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H5=DC6H5C4H6-1+C2H6 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+NC3H7=BC6H5C4H6-3+C3H8 +1.000E+11 +0.000 +8300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+NC3H7=BC6H5C4H6-3+C3H8 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+NC3H7=CC6H5C4H6-1+C3H8 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+NC3H7=DC6H5C4H6-1+C3H8 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+C2H3=BC6H5C4H6-3+C2H4 +1.000E+11 +0.000 +8300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+C2H3=BC6H5C4H6-3+C2H4 +2.600E+12 +0.000 +6012.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H3=CC6H5C4H6-1+C2H4 +1.000E+11 +0.000 +8300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H3=DC6H5C4H6-1+C2H4 +2.600E+12 +0.000 +6012.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+C3H5-A=BC6H5C4H6-3+C3H6 +7.900E+10 +0.000 +12400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+C3H5-A=BC6H5C4H6-3+C3H6 +2.800E+12 +0.000 +11219.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C3H5-A=CC6H5C4H6-1+C3H6 +7.900E+10 +0.000 +12400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C3H5-A=DC6H5C4H6-1+C3H6 +2.800E+12 +0.000 +11219.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+CH3=BC6H5C4H6-3+CH4 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+CH3=BC6H5C4H6-3+CH4 +1.900E+12 +0.000 +9010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+CH3=CC6H5C4H6-1+CH4 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+CH3=DC6H5C4H6-1+CH4 +1.900E+12 +0.000 +9010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+H=BC6H5C4H6-3+H2 +5.000E+13 +0.000 +3900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+H=BC6H5C4H6-3+H2 +2.630E+14 +0.000 +8820.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+H=CC6H5C4H6-1+H2 +5.000E+13 +0.000 +3900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+H=DC6H5C4H6-1+H2 +2.630E+14 +0.000 +8820.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+O=BC6H5C4H6-3+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+O=BC6H5C4H6-3+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+O=CC6H5C4H6-1+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+O=DC6H5C4H6-1+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+OH=>H2O+C6H5CH2J+C2H3CHO +2.400E+06 +2.000 -1192.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+H=>H2+C6H5CH2J+C2H3CHO +4.800E+08 +1.500 +2785.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+HO2=>H2O2+C6H5CH2J+C2H3CHO +4.000E+12 +0.000 +14400.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+OH=>CH2CO+C6H5C2H4P+H2O +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+H=>CH2CO+C6H5C2H4P+H2 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+HO2=>CH2CO+C6H5C2H4P+H2O2 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+H=>H2+HCO+CR3 +4.800E+08 +1.500 +2785.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+OH=>H2O+HCO+CR3 +2.400E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+HO2=>H2O2+HCO+CR3 +4.000E+12 +0.000 +14400.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+OH=>H2O+C2H4+C6H5CH2CO +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+H=>H2+C2H4+C6H5CH2CO +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+HO2=>H2O2+C2H4+C6H5CH2CO +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+H=>H2+STYR+CH2CHO +4.800E+08 +1.500 +2785.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+OH=>H2O+STYR+CH2CHO +2.400E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+HO2=>H2O2+STYR+CH2CHO +4.000E+12 +0.000 +14400.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+OH=>H2O+C2H4+C6H5COCH2 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+H=>H2+C2H4+C6H5COCH2 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+HO2=>H2O2+C2H4+C6H5COCH2 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+OH=>H2O+C6H5CH2J+CH3CHCO +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+H=>H2+C6H5CH2J+CH3CHCO +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+HO2=>H2O2+C6H5CH2J+CH3CHCO +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+OH=>H2O+C6H5CH2CHCO+CH3 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+H=>H2+C6H5CH2CHCO+CH3 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+HO2=>H2O2+C6H5CH2CHCO+CH3 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+OH=>H2O+C6H5CJO+C3H6 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+H=>H2+C6H5CJO+C3H6 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+HO2=>H2O2+C6H5CJO+C3H6 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+OH=>H2O+STYR+CH3CO +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+H=>H2+STYR+CH3CO +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+HO2=>H2O2+STYR+CH3CO +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+OH=>H2O+C6H5COC2H3+CH3 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+H=>H2+C6H5COC2H3+CH3 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+HO2=>H2O2+C6H5COC2H3+CH3 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+OH=>H2O+C6H5CHCO+C2H5 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+H=>H2+C6H5CHCO+C2H5 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+HO2=>H2O2+C6H5CHCO+C2H5 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCRD+O2=BBZOHCQJD +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHDRC+O2=BBZOHDQJC +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCRB+O2=BBZOHCQJB +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBRC+O2=BBZOHBQJC +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBRA+O2=BBZOHBQJA +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHARB+O2=BBZOHAQJB +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCQJD=>C6H5CHO+C2H5CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHDQJC=>C6H5CHO+C2H5CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCQJB=>C6H5CH2HCO+CH3CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBQJC=>C6H5CH2HCO+CH3CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBQJA=>C6H5C2H4HCO+CH2O+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHAQJB=>C6H5C2H4HCO+CH2O+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZQDRC=>C6H5C4H7O-CD+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRB=>C6H5C4H7O-BD+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRA=>C6H5C4H7O-AD+OH +9.375E+09 +0.000 +7000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRD=>C6H5C4H7O-CD+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRB=>C6H5C4H7O-BC+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRA=>C6H5C4H7O-AC+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRD=>C6H5C4H7O-BD+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRC=>C6H5C4H7O-BC+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRA=>C6H5C4H7O-AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARD=>C6H5C4H7O-AD+OH +9.375E+09 +0.000 +7000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARC=>C6H5C4H7O-AC+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARB=>C6H5C4H7O-AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRB=C6H5CHO+C3H6+OH +3.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRA=C6H5CH2HCO+C2H4+OH +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRD=STYR+CH3CHO+OH +1.000E+13 +0.000 +35000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARC=CR3+CH2O+OH +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRC+O2=BBZQDQJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRB+O2=BBZQDQJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRA+O2=BBZQDQJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRD+O2=BBZQCQJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+BBZQCRB+O2=BBZQCQJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRA+O2=BBZQCQJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRD+O2=BBZQBQJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+BBZQBRC+O2=BBZQBQJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRA+O2=BBZQBQJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARD+O2=BBZQAQJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+BBZQARC+O2=BBZQAQJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARB+O2=BBZQAQJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDQJC=BBZODQC+OH +1.000E+11 +0.000 +22450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDQJB=BBZODQB+OH +1.250E+10 +0.000 +17450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDQJA=BBZODQA+OH +1.563E+09 +0.000 +14650.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCQJD=BBZOCQD+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCQJB=BBZOCQB+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCQJA=BBZOCQA+OH +1.250E+10 +0.000 +17450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBQJD=BBZOBQD+OH +1.250E+10 +0.000 +17450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBQJC=BBZOBQC+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBQJA=BBZOBQA+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQAQJD=BBZOAQD+OH +3.120E+09 +0.000 +22150.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQAQJC=BBZOAQC+OH +2.500E+10 +0.000 +21000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQAQJB=BBZOAQB+OH +2.000E+11 +0.000 +26150.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H6-3+HO2=BBZE3OJB+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+HO2=BBZE1OJC+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+HO2=BBZE1OJD+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3+C2H5O2=BBZE3OJB+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+C2H5O2=BBZE1OJC+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+C2H5O2=BBZE1OJD+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3+CH3O2=BBZE3OJB+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+CH3O2=BBZE1OJC+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+CH3O2=BBZE1OJD+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3+O2=C6H5C4H5+HO2 +6.900E+11 +0.000 +15200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+O2=C6H5C4H5+HO2 +7.900E+11 +0.000 +15200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+O2=C6H5C4H5+HO2 +7.900E+11 +0.000 +15200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1=STYR+C2H3 +2.000E+13 +0.000 +44200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3=C6H5C4H5+H +3.000E+13 +0.000 +51500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1=C6H5+C4H6 +2.000E+13 +0.000 +44200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1=C6H5C4H5+H +3.000E+13 +0.000 +43300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1=C6H5C4H5+H +3.000E+13 +0.000 +43300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H5+OH=C6H5CHO+C3H5-A +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H5+OH=C6H5CH2J+C2H3CHO +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H5+OH=CH2O+C6H5C3H4 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE3OJB=C6H5C2H2+CH3CHO +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE3OJB=C6H5C2H2HCO+CH3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE1OJC=C6H5CH2HCO+C2H3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE1OJC=C6H5CH2J+C2H3CHO +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE1OJD=C6H5CHO+C3H5-A +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZODQC=>C6H5CJO+C2H5CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZODQB=>C6H5COCH2+CH3CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZODQA=>C6H5COC2H4+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOCQD=>C6H5CHO+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOCQB=>C6H5CH2CO+CH3CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOCQA=>C6H5CH2COCH2+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOBQD=>C6H5CHO+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOBQC=>C6H5CH2HCO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOBQA=>C6H5C2H4CO+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOAQD=>C6H5CHO+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOAQC=>C6H5CH2HCO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOAQB=>C6H5C2H4HCO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H4C2H3+C2H2=A1C2H3AC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4=IND+H +1.000E+13 +0.000 +32700.0 ! *:_:* AA *:_:* MM FROM 2001LIN/MAU409-432
+C6H5CH2J+C2H2=IND+H +3.200E+11 +0.000 +7000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H4C2H3+CH3=IND+2H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CH3C6H4C2H3+OH=IND+H+H2O +1.260E+13 +0.000 +2583.0 ! *:_:* AA *:_:* MARINOV 1996
+CH3C6H4C2H3+H=IND+H+H2 +3.980E+02 +3.440 +3120.0 ! *:_:* AA *:_:* MARINOV 1996
+IND+H=INDENYL+H2 +4.380E+08 +1.770 +2999.5 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+O=INDENYL+OH +1.810E+13 +0.000 +3080.8 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+OH=INDENYL+H2O +6.860E+09 +1.180 -446.9 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+HO2=INDENYL+H2O2 +1.990E+12 +0.000 +11658.7 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+O2=INDENYL+HO2 +2.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+O2=INDENOXY+OH +1.000E+13 +0.000 +20712.2 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+O=C6H5C2H2+CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+INDENYL+HO2=C6H5C2H2+CO+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+INDENYL+CY13PD5J=PHENA+2H +1.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:* MARINOV 1996
+INDENYL+CO=>A2O +9.500E+03 +1.400 +26555.9 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+H=IND +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+O=C6H5CCH2+CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+O=INDENOXY +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+HO2=INDENOXY+OH +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENOXY=C6H5CCH2+CO +2.510E+11 +0.000 +43900.6 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C2H3+O2=HCOHCO+H +7.780E+20 -2.940 +5541.0 ! *:_:* AA *:_:* 10 ATM/BOZELLI&DEAN 1993, J. PHYS.CHEM,VOL.97,PP.4427-4441
+C4H5+C2H2=C6H6+H +8.250E+24 -3.760 +26565.0 ! *:_:* AA *:_:* 10ATM/SENOSIAIN&MILLER, J.PHYS.CHEM.A, 2007, PP. 3740-3747
+C4H5+C2H2=FULVENE+H +9.738E+26 -3.760 +21329.0 ! *:_:* AA *:_:* 10ATM/SENOSIAIN&MILLER, J.PHYS.CHEM.A, 2007, PP. 3740-3747
+END
\ No newline at end of file
diff --git a/Exemple/Results full merging/new_model_TIRAMISU_kt.therm b/Exemple/Results full merging/new_model_TIRAMISU_kt.therm
new file mode 100644
index 0000000000000000000000000000000000000000..c9644caf56b2a2b8a64e7862e387960907bec70f
--- /dev/null
+++ b/Exemple/Results full merging/new_model_TIRAMISU_kt.therm
@@ -0,0 +1,6309 @@
+!
+! n=10000 kinetics and thermodynamics retained from LLNL
+! 03/05/2024
+!kt
+THERMO
+ 300.000 1000.000 5000.000
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! LLNL THERMO !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+H H 1 G 300.00 5000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
++2.54716300E+04-4.60117600E-01+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00+2.54716300E+04-4.60117600E-01 4
+H2 H 2 G 300.00 5000.00 1000.00 1
++2.99142300E+00+7.00064400E-04-5.63382900E-08-9.23157800E-12+1.58275200E-15 2
+-8.35034000E+02-1.35511000E+00+3.29812400E+00+8.24944200E-04-8.14301500E-07 3
+-9.47543400E-11+4.13487200E-13-1.01252100E+03-3.29409400E+00 4
+O O 1 G 300.00 5000.00 1000.00 1
++2.54206000E+00-2.75506200E-05-3.10280300E-09+4.55106700E-12-4.36805200E-16 2
++2.92308000E+04+4.92030800E+00+2.94642900E+00-1.63816600E-03+2.42103200E-06 3
+-1.60284300E-09+3.89069600E-13+2.91476400E+04+2.96399500E+00 4
+O2 O 2 G 300.00 5000.00 1000.00 1
++3.69757800E+00+6.13519700E-04-1.25884200E-07+1.77528100E-11-1.13643500E-15 2
+-1.23393000E+03+3.18916600E+00+3.21293600E+00+1.12748600E-03-5.75615000E-07 3
++1.31387700E-09-8.76855400E-13-1.00524900E+03+6.03473800E+00 4
+OH H 1O 1 G 300.00 5000.00 1710.00 1
++2.85376040E+00+1.02994334E-03-2.32666477E-07+1.93750704E-11-3.15759847E-16 2
++3.69949720E+03+5.78756825E+00+3.41896226E+00+3.19255801E-04-3.08292717E-07 3
++3.64407494E-10-1.00195479E-13+3.45264448E+03+2.54433372E+00 4
+H2O H 2O 1 G 300.00 5000.00 1000.00 1
++2.67214600E+00+3.05629300E-03-8.73026000E-07+1.20099600E-10-6.39161800E-15 2
+-2.98992100E+04+6.86281700E+00+3.38684200E+00+3.47498200E-03-6.35469600E-06 3
++6.96858100E-09-2.50658800E-12-3.02081100E+04+2.59023300E+00 4
+HO2 H 1O 2 G 200.00 3500.00 1000.00 1
++4.01721090E+00+2.23982013E-03-6.33658150E-07+1.14246370E-10-1.07908535E-14 2
++1.11856713E+02+3.78510215E+00+4.30179801E+00-4.74912051E-03+2.11582891E-05 3
+-2.42763894E-08+9.29225124E-12+2.94808040E+02+3.71666245E+00 4
+H2O2 H 2O 2 G 300.00 5000.00 1000.00 1
++4.57316700E+00+4.33613600E-03-1.47468900E-06+2.34890400E-10-1.43165400E-14 2
+-1.80069600E+04+5.01137000E-01+3.38875400E+00+6.56922600E-03-1.48501300E-07 3
+-4.62580600E-09+2.47151500E-12-1.76631500E+04+6.78536300E+00 4
+AR AR 1 G 300.00 5000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
+-7.45375000E+02+4.36600100E+00+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00-7.45375000E+02+4.36600100E+00 4
+CO O 1C 1 G 300.00 5000.00 1429.00 1
++3.11216890E+00+1.15948283E-03-3.38480362E-07+4.41403098E-11-2.12862228E-15 2
+-1.42718539E+04+5.71725177E+00+3.19036352E+00+8.94419972E-04-3.24927563E-08 3
+-1.04599967E-10+2.41965693E-14-1.42869054E+04+5.33277914E+00 4
+CO2 O 2C 1 G 300.00 5000.00 1380.00 1
++5.18953018E+00+2.06006476E-03-7.33575324E-07+1.17004374E-10-6.91729215E-15 2
+-4.93178953E+04-5.18289303E+00+2.57930490E+00+8.24684987E-03-6.42716047E-06 3
++2.54637024E-09-4.12030443E-13-4.84162830E+04+8.81141041E+00 4
+CH2O H 2O 1C 1 G 300.00 5000.00 1486.00 1
++4.02068394E+00+5.09903417E-03-1.76430480E-06+2.76025879E-10-1.60998042E-14 2
+-1.49287258E+04+1.06525547E+00+3.00754197E+00+3.04729496E-03+5.25109246E-06 3
+-5.12019281E-09+1.27133795E-12-1.41188397E+04+8.10120233E+00 4
+HCO H 1O 1C 1 G 300.00 5000.00 1690.00 1
++3.44148164E+00+3.52157719E-03-1.24136118E-06+1.97328644E-10-1.16538616E-14 2
++3.97409684E+03+6.24593456E+00+3.81049965E+00+8.13269825E-04+3.13164701E-06 3
+-2.39478268E-09+5.06894554E-13+4.03859901E+03+4.94843165E+00 4
+HO2CHO H 2O 3C 1 G 300.00 5000.00 1378.00 1
++9.87503878E+00+4.64663708E-03-1.67230522E-06+2.68624413E-10-1.59595232E-14 2
+-3.80502496E+04-2.24939155E+01+2.42464726E+00+2.19706380E-02-1.68705546E-05 3
++6.25612194E-09-9.11645843E-13-3.54828006E+04+1.75027796E+01 4
+O2CHO H 1O 3C 1 G 300.00 5000.00 1368.00 1
++7.24075139E+00+4.63312951E-03-1.63693995E-06+2.59706693E-10-1.52964699E-14 2
+-1.87027618E+04-6.49547212E+00+3.96059309E+00+1.06002279E-02-5.25713351E-06 3
++1.01716726E-09-2.87487602E-14-1.73599383E+04+1.17807483E+01 4
+HOCHO H 2O 2C 1 G 300.00 5000.00 1419.00 1
++7.67134440E+00+4.43426373E-03-1.60867436E-06+2.59770020E-10-1.54899704E-14 2
+-4.89708660E+04-1.73024418E+01+1.28069021E+00+1.52887758E-02-5.64150476E-06 3
+-1.22968799E-09+8.14273233E-13-4.64347524E+04+1.83142081E+01 4
+OCHO H 1O 2C 1 G 300.00 5000.00 1412.00 1
++6.49815560E+00+3.22319012E-03-1.17099595E-06+1.89272918E-10-1.12937000E-14 2
+-1.81679042E+04-1.00412613E+01+1.42991854E+00+1.22803284E-02-5.28461096E-06 3
+-3.73026551E-10+5.07953571E-13-1.62042814E+04+1.80411779E+01 4
+HOCH2O2H H 4O 3C 1 G 300.00 5000.00 1422.00 1
++1.16303827E+01+7.15133688E-03-2.39035030E-06+3.65772791E-10-2.10199524E-14 2
+-4.31079242E+04-3.24276725E+01+1.85716693E+00+3.23153132E-02-2.69928902E-05 3
++1.11694484E-08-1.81284103E-12-4.00314471E+04+1.90917729E+01 4
+HOCH2O2 H 3O 3C 1 G 300.00 5000.00 1412.00 1
++9.04545938E+00+7.15223373E-03-2.37005676E-06+3.60083481E-10-2.05750228E-14 2
+-2.49414886E+04-1.74210530E+01+2.85441621E+00+2.33663535E-02-1.88115990E-05 3
++7.96709515E-09-1.36346618E-12-2.29866196E+04+1.51730565E+01 4
+OCH2O2H H 3O 3C 1 G 300.00 5000.00 1420.00 1
++1.15398246E+01+5.34291432E-03-1.81878917E-06+2.81968625E-10-1.63584348E-14 2
+-1.68237489E+04-3.20700633E+01+1.93823075E+00+3.01465730E-02-2.61053152E-05 3
++1.09463562E-08-1.78312692E-12-1.38166625E+04+1.85042002E+01 4
+HOCH2O H 3O 2C 1 G 300.00 5000.00 1452.00 1
++6.39521515E+00+7.43673043E-03-2.50422354E-06+3.84879712E-10-2.21778689E-14 2
+-2.41108840E+04-6.63865583E+00+4.11183145E+00+7.53850697E-03+3.77337370E-06 3
+-5.38746005E-09+1.45615887E-12-2.28023001E+04+7.46807254E+00 4
+CH3OH H 4O 1C 1 G 300.00 5000.00 1985.00 1
++3.92867513E+00+9.81626074E-03-3.40615476E-06+5.35510197E-10-3.13776029E-14 2
+-2.61454175E+04+2.69464483E+00+1.82176844E+00+1.23326420E-02-2.73742177E-06 3
+-1.07387318E-09+4.23644837E-13-2.52222207E+04+1.48104300E+01 4
+CH2OH H 3O 1C 1 G 300.00 5000.00 1399.00 1
++5.41875913E+00+5.66185244E-03-1.87471136E-06+2.84441938E-10-1.62299798E-14 2
+-3.61475540E+03-3.49277963E+00+3.05674228E+00+1.19335634E-02-8.72501303E-06 3
++3.82781054E-09-7.22887951E-13-2.83140190E+03+8.98878133E+00 4
+CH3O H 3O 1C 1 G 300.00 5000.00 1509.00 1
++4.64787019E+00+6.90830683E-03-2.34404776E-06+3.61994570E-10-2.09253541E-14 2
+-2.99208881E+02-1.57740193E+00+2.23058023E+00+8.53178586E-03+1.02166624E-06 3
+-3.41046916E-09+9.94691038E-13+9.45939708E+02+1.28377569E+01 4
+CH3O2H H 4O 2C 1 G 300.00 5000.00 1367.00 1
++8.80409289E+00+8.09427218E-03-2.85843274E-06+4.53369754E-10-2.66980707E-14 2
+-1.98512174E+04-2.17000591E+01+2.83880024E+00+1.86096249E-02-8.48165412E-06 3
++1.00387451E-09+1.71612429E-13-1.74033753E+04+1.16092433E+01 4
+CH3O2 H 3O 2C 1 G 300.00 5000.00 1365.00 1
++6.34718801E+00+7.92089358E-03-2.76601913E-06+4.35360631E-10-2.54984762E-14 2
+-1.83436055E+03-7.42552545E+00+3.80497590E+00+9.80784660E-03-3.90940624E-07 3
+-2.23072602E-09+6.43310820E-13-4.55625796E+02+7.81789100E+00 4
+CH4 H 4C 1 G 300.00 5000.00 1462.00 1
++4.09617653E+00+7.44330845E-03-2.63871900E-06+4.19577604E-10-2.47508050E-14 2
+-1.13835704E+04-4.67561383E+00+3.72113020E+00-2.50293289E-03+1.90246534E-05 3
+-1.46871253E-08+3.43791152E-12-1.01424099E+04+1.22776596E+00 4
+CH3 H 3C 1 G 300.00 5000.00 1389.00 1
++3.51281376E+00+5.11412613E-03-1.67632050E-06+2.52495174E-10-1.43302923E-14 2
++1.61238027E+04+1.62436112E+00+3.43858162E+00+4.07752664E-03+3.19830994E-07 3
+-9.47669390E-10+2.21828166E-13+1.63164018E+04+2.52807406E+00 4
+CH2 H 2C 1 G 250.00 4000.00 1000.00 1
++3.63640800E+00+1.93305700E-03-1.68701600E-07-1.00989900E-10+1.80825600E-14 2
++4.53413400E+04+2.15656100E+00+3.76223700E+00+1.15981900E-03+2.48958500E-07 3
++8.80083600E-10-7.33243500E-13+4.53679100E+04+1.71257800E+00 4
+CH2(S) H 2C 1 G 300.00 4000.00 1000.00 1
++3.55288900E+00+2.06678800E-03-1.91411600E-07-1.10467300E-10+2.02135000E-14 2
++4.98497500E+04+1.68657000E+00+3.97126500E+00-1.69908900E-04+1.02536900E-06 3
++2.49255100E-09-1.98126600E-12+4.98936800E+04+5.75320700E-02 4
+C C 1 G 300.00 5000.00 1000.00 1
++2.60208700E+00-1.78708100E-04+9.08704100E-08-1.14993300E-11+3.31084400E-16 2
++8.54215400E+04+4.19517700E+00+2.49858500E+00+8.08577700E-05-2.69769700E-07 3
++3.04072900E-10-1.10665200E-13+8.54587800E+04+4.75345900E+00 4
+CH H 1C 1 G 300.00 5000.00 1000.00 1
++2.19622300E+00+2.34038100E-03-7.05820100E-07+9.00758200E-11-3.85504000E-15 2
++7.08672300E+04+9.17837300E+00+3.20020200E+00+2.07287600E-03-5.13443100E-06 3
++5.73389000E-09-1.95553300E-12+7.04525900E+04+3.33158800E+00 4
+C2H6 C 2H 6 G 300.00 5000.00 1383.00 1
++6.05972630E+00+1.30382837E-02-4.48103942E-06+6.97762095E-10-4.05606353E-14 2
+-1.35751226E+04-1.28608001E+01+4.78623203E-02+2.40569127E-02-1.15155912E-05 3
++2.48666238E-09-1.78343944E-13-1.10923014E+04+2.06544071E+01 4
+C2H5 H 5C 2 G 300.00 5000.00 1387.00 1
++5.88784390E+00+1.03076793E-02-3.46844396E-06+5.32499257E-10-3.06512651E-14 2
++1.15065499E+04-8.49651771E+00+1.32730217E+00+1.76656753E-02-6.14926558E-06 3
+-3.01143466E-10+4.38617775E-13+1.34284028E+04+1.71789216E+01 4
+C2H4 H 4C 2 G 300.00 5000.00 1395.00 1
++5.22176372E+00+8.96137303E-03-3.04868886E-06+4.71465524E-10-2.72739592E-14 2
++3.60389679E+03-7.47789234E+00+2.33879687E-01+1.96334647E-02-1.16833214E-05 3
++3.64246453E-09-4.77442715E-13+5.46489338E+03+1.97084228E+01 4
+C2H3 H 3C 2 G 300.00 5000.00 1395.00 1
++5.07331248E+00+6.58316278E-03-2.23762924E-06+3.45803379E-10-1.99940490E-14 2
++3.37234748E+04-3.39792712E+00+1.25329724E+00+1.56258370E-02-1.07803879E-05 3
++4.18054634E-09-7.01360362E-13+3.50734773E+04+1.71341661E+01 4
+C2H2 H 2C 2 G 300.00 5000.00 1407.00 1
++4.98265164E+00+4.25992930E-03-1.37483523E-06+2.04717964E-10-1.15191740E-14 2
++2.52697118E+04-5.81321385E+00+2.06742667E+00+1.46568506E-02-1.52947063E-05 3
++8.30965761E-09-1.72932175E-12+2.59578589E+04+8.62758672E+00 4
+C2H H 1C 2 G 300.00 5000.00 1361.00 1
++4.66893822E+00+2.01284720E-03-7.01828634E-07+1.10347228E-10-6.45790465E-15 2
++6.60310696E+04-2.25424693E+00+4.27708350E+00+1.74130076E-03+7.31180206E-07 3
+-9.71827901E-10+2.36956727E-13+6.63125955E+04+3.16341916E-01 4
+CH3CHO H 4O 1C 2 G 300.00 5000.00 1377.00 1
++6.98518866E+00+9.67897787E-03-3.31841954E-06+5.16025901E-10-2.99725903E-14 2
+-2.39807279E+04-1.27484852E+01+1.77060035E+00+1.84475161E-02-7.24138162E-06 3
++2.34364561E-10+3.35543891E-13-2.18078850E+04+1.65023437E+01 4
+CH3CO H 3O 1C 2 G 300.00 5000.00 1371.00 1
++6.56682466E+00+7.55308669E-03-2.59966784E-06+4.05334994E-10-2.35876164E-14 2
+-4.76690401E+03-8.83301965E+00+2.52884150E+00+1.37152173E-02-4.28607476E-06 3
+-7.71684278E-10+4.83836380E-13-3.02546532E+03+1.40340315E+01 4
+CH2CHO H 3O 1C 2 G 300.00 5000.00 1388.00 1
++7.54145790E+00+6.82297125E-03-2.36938607E-06+3.71633517E-10-2.17160048E-14 2
+-2.61437239E+03-1.62602766E+01+1.47616956E+00+2.08974186E-02-1.50123552E-05 3
++5.62967382E-09-8.76624470E-13-4.82050510E+02+1.63756465E+01 4
+CH2CO H 2O 1C 2 G 300.00 5000.00 1000.00 1
++6.03881700E+00+5.80484000E-03-1.92095400E-06+2.79448500E-10-1.45886800E-14 2
+-8.58340200E+03-7.65758100E+00+2.97497100E+00+1.21187100E-02-2.34504600E-06 3
+-6.46668500E-09+3.90564900E-12-7.63263700E+03+8.67355300E+00 4
+HCCO H 1O 1C 2 G 300.00 4000.00 1000.00 1
++6.75807300E+00+2.00040000E-03-2.02760700E-07-1.04113200E-10+1.96516500E-14 2
++1.90151300E+04-9.07126200E+00+5.04796500E+00+4.45347800E-03+2.26828300E-07 3
+-1.48209500E-09+2.25074200E-13+1.96589200E+04+4.81843900E-01 4
+HCCOH H 2O 1C 2 G 300.00 4000.00 1000.00 1
++7.32832400E+00+3.33641600E-03-3.02470500E-07-1.78110600E-10+3.24516800E-14 2
++7.59825800E+03-1.40121400E+01+3.89946500E+00+9.70107500E-03-3.11930900E-07 3
+-5.53773200E-09+2.46573200E-12+8.70119000E+03+4.49187500E+00 4
+CH3CO3H H 4O 3C 2 G 300.00 5000.00 1391.00 1
++1.25060485E+01+9.47789695E-03-3.30402246E-06+5.19630793E-10-3.04233568E-14 2
+-4.59856703E+04-3.79195947E+01+2.24135876E+00+3.37963514E-02-2.53887482E-05 3
++9.67583587E-09-1.49266157E-12-4.24677831E+04+1.70668133E+01 4
+CH3CO3 H 3O 3C 2 G 300.00 5000.00 1391.00 1
++1.12522498E+01+8.33652672E-03-2.89014530E-06+4.52781734E-10-2.64354456E-14 2
+-2.60238584E+04-2.96370457E+01+3.60373432E+00+2.70080341E-02-2.08293438E-05 3
++8.50541104E-09-1.43846110E-12-2.34205171E+04+1.12014914E+01 4
+CH3CO2 H 3O 2C 2 G 300.00 5000.00 1395.00 1
++8.54059736E+00+8.32951214E-03-2.84722010E-06+4.41927196E-10-2.56373394E-14 2
+-2.97290678E+04-2.03883545E+01+1.37440768E+00+2.49115604E-02-1.74308894E-05 3
++6.24799508E-09-9.09516835E-13-2.72330150E+04+1.81405454E+01 4
+C2H5OH O 1C 2H 6 G 300.00 5000.00 1395.00 1
++8.31742137E+00+1.29603294E-02-4.39286497E-06+6.77734995E-10-3.91448231E-14 2
+-3.25219715E+04-1.96502783E+01+1.79106094E-01+3.09060081E-02-1.93596697E-05 3
++6.31830859E-09-8.53166875E-13-2.95670605E+04+2.44715919E+01 4
+C2H5O H 5O 1C 2 G 300.00 5000.00 1393.00 1
++8.23717244E+00+1.10885879E-02-3.78808372E-06+5.87613473E-10-3.40712889E-14 2
+-6.22948597E+03-1.93190543E+01+2.87429022E-01+2.86500918E-02-1.83857008E-05 3
++6.03096179E-09-8.04562643E-13-3.35717377E+03+2.37513898E+01 4
+PC2H4OH H 5O 1C 2 G 300.00 5000.00 1396.00 1
++7.88509591E+00+1.08287795E-02-3.66829683E-06+5.65734300E-10-3.26673351E-14 2
+-7.44974622E+03-1.44673770E+01+9.90023426E-01+2.61564272E-02-1.65928300E-05 3
++5.50525131E-09-7.57520667E-13-4.96032283E+03+2.28675716E+01 4
+SC2H4OH H 5O 1C 2 G 300.00 5000.00 1397.00 1
++8.34980768E+00+1.03718068E-02-3.49683481E-06+5.37524748E-10-3.09661005E-14 2
+-1.10556188E+04-1.81354112E+01+1.61103852E+00+2.63511867E-02-1.82941500E-05 3
++6.91243160E-09-1.10384057E-12-8.71494725E+03+1.80114775E+01 4
+O2C2H4OH H 5O 3C 2 G 300.00 5000.00 1392.00 1
++1.07432659E+01+1.30957787E-02-4.45370088E-06+6.88548738E-10-3.98230113E-14 2
+-2.55911274E+04-2.33254953E+01+4.11839445E+00+2.72240632E-02-1.60824430E-05 3
++5.17033408E-09-7.31610168E-13-2.30857785E+04+1.28482112E+01 4
+C2H5O2H O 2C 2H 6 G 300.00 5000.00 1391.00 1
++1.12305737E+01+1.20482120E-02-3.96730201E-06+6.00754632E-10-3.42657803E-14 2
+-2.47977531E+04-3.25607232E+01+1.57329011E+00+3.52379996E-02-2.53203993E-05 3
++9.56802476E-09-1.48167375E-12-2.15278368E+04+1.90472032E+01 4
+C2H5O2 H 5O 2C 2 G 300.00 5000.00 1387.00 1
++8.77641329E+00+1.18767163E-02-3.87683050E-06+5.83210754E-10-3.31006724E-14 2
+-6.78748703E+03-1.83119972E+01+2.58630333E+00+2.61836362E-02-1.68306193E-05 3
++6.08749295E-09-9.57302040E-13-4.58588992E+03+1.50486289E+01 4
+C2H4O2H H 5O 2C 2 G 300.00 5000.00 1397.00 1
++1.05228954E+01+9.48091381E-03-3.55727763E-06+6.41445994E-10-4.21232247E-14 2
++1.55718322E+03-2.31413632E+01+3.46916874E+00+2.71188626E-02-2.08022550E-05 3
++8.44284845E-09-1.40756215E-12+3.89688270E+03+1.43400726E+01 4
+C2H4O1-2 H 4O 1C 2 G 300.00 5000.00 1399.00 1
++6.99485763E+00+1.00772459E-02-3.45220932E-06+5.36571216E-10-3.11563543E-14 2
+-1.04091344E+04-1.59857976E+01-1.44361790E+00+2.91837107E-02-1.96805054E-05 3
++6.67472575E-09-9.02139342E-13-7.43433507E+03+2.95212453E+01 4
+C2H3O1-2 H 3O 1C 2 G 300.00 5000.00 1492.00 1
++6.88486471E+00+6.94720501E-03-2.23214698E-06+3.32190767E-10-1.87124555E-14 2
++1.26442200E+04-1.23842570E+01-1.62965122E+00+2.93455486E-02-2.43737550E-05 3
++1.00522325E-08-1.61259036E-12+1.52459425E+04+3.22782741E+01 4
+CH3COCH3 H 6O 1C 3 G 300.00 5000.00 1382.00 1
++9.62674379E+00+1.45519245E-02-4.97749457E-06+7.72794591E-10-4.48367165E-14 2
+-3.11862263E+04-2.61613449E+01+1.24527408E+00+2.99760255E-02-1.40026661E-05 3
++2.16453512E-09+1.27637295E-13-2.78348727E+04+2.03682615E+01 4
+CH3COCH2 H 5O 1C 3 G 300.00 5000.00 1388.00 1
++1.08892477E+01+1.11540675E-02-3.85516785E-06+6.02834048E-10-3.51533449E-14 2
+-1.00741464E+04-3.18043322E+01+1.22337251E+00+3.24546742E-02-2.13542518E-05 3
++6.96777735E-09-8.99160299E-13-6.59419324E+03+2.05537233E+01 4
+CH3COCH2O2 H 5O 3C 3 G 300.00 5000.00 1379.00 1
++1.27690342E+01+1.42554828E-02-4.92821461E-06+7.70448921E-10-4.49110534E-14 2
+-2.34798669E+04-3.27155799E+01+5.95535468E+00+2.70255205E-02-1.37385031E-05 3
++3.53735851E-09-4.03922557E-13-2.06679464E+04+5.21436049E+00 4
+CH3COCH2O2H H 6O 3C 3 G 300.00 5000.00 1381.00 1
++1.52372810E+01+1.44114651E-02-5.01290009E-06+7.87071229E-10-4.60225784E-14 2
+-4.27564444E+04-4.77383784E+01+4.94789761E+00+3.60474432E-02-2.21719933E-05 3
++6.98296874E-09-9.21269260E-13-3.88687178E+04+8.49926130E+00 4
+CH3COCH2O H 5O 2C 3 G 300.00 5000.00 1370.00 1
++1.14637586E+01+1.32124342E-02-4.56580495E-06+7.13897538E-10-4.16281047E-14 2
+-2.23833017E+04-3.15127868E+01+3.72927689E+00+2.63943697E-02-1.09796486E-05 3
++8.58185303E-10+3.39474590E-13-1.91551565E+04+1.18505335E+01 4
+C2H3CHO H 4O 1C 3 G 300.00 5000.00 1393.00 1
++1.04184959E+01+9.48963321E-03-3.29310529E-06+5.16279203E-10-3.01587291E-14 2
+-1.49630281E+04-3.07235061E+01+2.92355162E-01+3.54321417E-02-2.94936324E-05 3
++1.28100124E-08-2.26144108E-12-1.16521584E+04+2.28878280E+01 4
+C2H3CO H 3O 1C 3 G 300.00 5000.00 1402.00 1
++9.37467676E+00+7.91296900E-03-2.67198280E-06+4.11115430E-10-2.36978981E-14 2
++1.92969514E+03-2.40892696E+01+1.36242013E+00+3.15273972E-02-3.00218935E-05 3
++1.48167112E-08-2.87971530E-12+4.25770215E+03+1.72626546E+01 4
+C2H5CHO H 6O 1C 3 G 300.00 5000.00 1375.00 1
++8.87216223E+00+2.01710762E-02-8.06487647E-06+1.37617784E-09-8.48922325E-14 2
+-2.83848527E+04-2.35069163E+01+5.93107530E+00+8.87943855E-03+2.03764325E-05 3
+-1.80149348E-08+4.14085655E-12-2.51377751E+04-5.87019974E-01 4
+C2H5CO H 5O 1C 3 G 300.00 5000.00 1362.00 1
++1.00147418E+01+1.61527961E-02-6.62976122E-06+1.15290667E-09-7.21263458E-14 2
+-1.00430305E+04-2.88570933E+01+8.35352246E+00-4.08739727E-03+3.64217954E-05 3
+-2.72457713E-08+6.06440266E-12-6.58577307E+03-1.05948346E+01 4
+CH3OCH3 O 1C 2H 6 G 300.00 5000.00 1368.00 1
++8.27745836E+00+1.32135539E-02-4.53264362E-06+7.05316507E-10-4.09933283E-14 2
+-2.61982700E+04-2.15190894E+01+1.50763450E+00+2.39914228E-02-8.68910500E-06 3
+-9.66835762E-11+4.89319361E-13-2.32810894E+04+1.67317297E+01 4
+CH3OCH2 H 5O 1C 2 G 300.00 5000.00 1376.00 1
++8.17137842E+00+1.10086181E-02-3.82352277E-06+5.99637202E-10-3.50317513E-14 2
+-3.41941605E+03-1.78650856E+01+2.91327415E+00+2.03364659E-02-9.59712342E-06 3
++2.07478525E-09-1.71343362E-13-1.18844240E+03+1.16066817E+01 4
+CH3OCH2O2 H 5O 3C 2 G 300.00 5000.00 1389.00 1
++1.24249729E+01+1.18705986E-02-4.07906532E-06+6.35310809E-10-3.69427867E-14 2
+-2.29679238E+04-3.53740145E+01+2.21029612E+00+3.68877454E-02-2.82561555E-05 3
++1.15730533E-08-1.97130470E-12-1.94940940E+04+1.91463601E+01 4
+CH2OCH2O2H H 5O 3C 2 G 300.00 5000.00 1393.00 1
++1.51191783E+01+9.23718883E-03-3.19127505E-06+4.99114678E-10-2.91162488E-14 2
+-1.84114867E+04-4.85706618E+01+2.52895507E+00+4.24128290E-02-3.73406386E-05 3
++1.66639333E-08-2.96443312E-12-1.44293306E+04+1.76899251E+01 4
+CH3OCH2O2H O 3C 2H 6 G 300.00 5000.00 1392.00 1
++1.49370964E+01+1.19465829E-02-4.12746359E-06+6.45422590E-10-3.76427939E-14 2
+-4.11001068E+04-4.99552737E+01+1.19855761E+00+4.59060764E-02-3.66252420E-05 3
++1.49318970E-08-2.46057445E-12-3.65363161E+04+2.31339904E+01 4
+CH3OCH2O H 5O 2C 2 G 300.00 5000.00 2012.00 1
++8.60261845E+00+1.35772195E-02-4.84661602E-06+7.77766193E-10-4.62633624E-14 2
+-2.13762444E+04-1.75775023E+01+3.25889339E+00+2.22146359E-02-7.78556340E-06 3
+-2.41484158E-10+4.51914496E-13-1.92377212E+04+1.23680069E+01 4
+O2CH2OCH2O2H O 5H 5C 2 G 300.00 5000.00 1402.00 1
++1.92038046E+01+1.04394841E-02-3.60582939E-06+5.63792843E-10-3.28807214E-14 2
+-3.79207055E+04-6.51847273E+01+1.99640551E+00+5.83226232E-02-5.53259778E-05 3
++2.59810540E-08-4.77141005E-12-3.27628742E+04+2.44215005E+01 4
+HO2CH2OCHO H 4O 4C 2 G 300.00 5000.00 1387.00 1
++1.64584298E+01+8.52683511E-03-3.04113500E-06+4.85596908E-10-2.87316334E-14 2
+-6.23959608E+04-5.38924139E+01+3.47935703E+00+4.02952392E-02-3.30109296E-05 3
++1.34360117E-08-2.18601580E-12-5.80629934E+04+1.52521392E+01 4
+OCH2OCHO H 3O 3C 2 G 300.00 5000.00 1475.00 1
++1.20233916E+01+8.11262659E-03-2.91356462E-06+4.67340384E-10-2.77375525E-14 2
+-4.33647231E+04-3.33691809E+01+5.19690837E+00+1.58839723E-02+3.53540547E-07 3
+-6.10456923E-09+1.94661801E-12-4.02242792E+04+6.11645828E+00 4
+HOCH2OCO H 3O 3C 2 G 300.00 5000.00 1603.00 1
++1.13737391E+01+8.17663898E-03-2.92034021E-06+4.66695616E-10-2.76276823E-14 2
+-4.65575743E+04-2.86035265E+01+6.08180801E+00+1.28768359E-02+2.04419418E-06 3
+-6.10154921E-09+1.79820559E-12-4.39526183E+04+2.54054449E+00 4
+CH3OCHO H 4O 2C 2 G 300.00 5000.00 1452.00 1
++1.06569185E+01+9.38112723E-03-3.37677206E-06+5.42455596E-10-3.22295330E-14 2
+-4.84651758E+04-3.27579443E+01+2.43526200E+00+1.81948325E-02+1.91236590E-06 3
+-8.44248945E-09+2.61758910E-12-4.46514732E+04+1.49522265E+01 4
+CH3OCO H 3O 2C 2 G 300.00 5000.00 1423.00 1
++1.02053021E+01+7.12269668E-03-2.57594255E-06+4.15104358E-10-2.47168227E-14 2
+-2.46870635E+04-2.86407262E+01+2.83313145E+00+1.53447505E-02+1.89583962E-06 3
+-7.70200413E-09+2.41564410E-12-2.13431832E+04+1.39524183E+01 4
+CH2OCHO H 3O 2C 2 G 300.00 5000.00 1442.00 1
++1.00960096E+01+7.19887066E-03-2.59813465E-06+4.18110812E-10-2.48723387E-14 2
+-2.36389018E+04-2.71144175E+01+2.31031671E+00+1.80474065E-02-2.71519637E-06 3
+-4.60918579E-09+1.70037078E-12-2.02910878E+04+1.71549722E+01 4
+HE HE 1 G 300.00 5000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
+-7.45375000E+02+9.15348900E-01+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00-7.45375000E+02+9.15348800E-01 4
+C3H8 H 8C 3 G 300.00 5000.00 1387.00 1
++9.31450083E+00+1.73577154E-02-5.94222386E-06+9.22939762E-10-5.35576604E-14 2
+-1.77234234E+04-2.89241517E+01-3.08230087E-01+3.65331801E-02-1.97610926E-05 3
++5.15283344E-09-5.06336649E-13-1.39792198E+04+2.40478733E+01 4
+IC3H7 H 7C 3 G 300.00 5000.00 1373.00 1
++8.14705217E+00+1.58727106E-02-5.44611541E-06+8.47207689E-10-4.92178752E-14 2
++6.18073367E+03-1.91980850E+01+1.63417589E+00+2.40171372E-02-4.72808067E-06 3
+-3.24354603E-09+1.23539044E-12+9.20752889E+03+1.83848082E+01 4
+NC3H7 H 7C 3 G 300.00 5000.00 1386.00 1
++8.88635047E+00+1.52273279E-02-5.21905860E-06+8.11259208E-10-4.71028059E-14 2
++7.34671584E+03-2.30727791E+01+4.74365329E-01+3.19190367E-02-1.71909780E-05 3
++4.45927887E-09-4.36675398E-13+1.06314565E+04+2.32670929E+01 4
+C3H6 H 6C 3 G 300.00 5000.00 1388.00 1
++8.01595958E+00+1.37023634E-02-4.66249733E-06+7.21254402E-10-4.17370126E-14 2
+-1.76749303E+03-2.00160668E+01+3.94615444E-01+2.89107662E-02-1.54886808E-05 3
++3.88814209E-09-3.37890352E-13+1.17760132E+03+2.19003736E+01 4
+C3H5-A H 5C 3 G 300.00 5000.00 1397.00 1
++8.45883958E+00+1.12695483E-02-3.83792864E-06+5.94059119E-10-3.43918030E-14 2
++1.64683289E+04-2.32704266E+01-5.29131958E-01+3.34559100E-02-2.53401027E-05 3
++1.02865754E-08-1.73258340E-12+1.94941423E+04+2.46172315E+01 4
+C3H5-S H 5C 3 G 300.00 5000.00 1390.00 1
++7.88765879E+00+1.13012591E-02-3.84213130E-06+5.93982677E-10-3.43567175E-14 2
++2.83484913E+04-1.74291589E+01+1.32807335E+00+2.53107914E-02-1.51530439E-05 3
++4.74345565E-09-6.24666084E-13+3.07981100E+04+1.83328787E+01 4
+C3H5-T H 5C 3 G 300.00 5000.00 1382.00 1
++7.37492443E+00+1.17510061E-02-4.00021283E-06+6.18947395E-10-3.58215018E-14 2
++2.73982108E+04-1.43478655E+01+2.17916644E+00+2.03826623E-02-7.91413834E-06 3
++4.76906187E-10+2.70398536E-13+2.96002535E+04+1.48785684E+01 4
+C3H4-P H 4C 3 G 300.00 4000.00 1400.00 1
++9.76810200E+00+5.21915100E-03-3.75314000E-07-2.99219100E-10+5.10787800E-14 2
++1.86027700E+04-3.02067800E+01+3.02973000E+00+1.49896100E-02-1.39850000E-06 3
+-3.96961900E-09+1.38821700E-12+2.14840800E+04+8.00459400E+00 4
+C3H4-A H 4C 3 G 300.00 4000.00 1400.00 1
++9.77625600E+00+5.30213800E-03-3.70111800E-07-3.02638600E-10+5.08958100E-14 2
++1.95497200E+04-3.07706100E+01+2.53983100E+00+1.63343700E-02-1.76495000E-06 3
+-4.64736500E-09+1.72913100E-12+2.25124300E+04+9.93570200E+00 4
+C3H3 H 3C 3 G 300.00 4000.00 1000.00 1
++8.83104700E+00+4.35719500E-03-4.10906700E-07-2.36872300E-10+4.37652000E-14 2
++3.84742000E+04-2.17791900E+01+4.75420000E+00+1.10802800E-02+2.79332300E-07 3
+-5.47921200E-09+1.94962900E-12+3.98888300E+04+5.85454900E-01 4
+C3H2 H 2C 3 G 150.00 4000.00 1000.00 1
++7.67098100E+00+2.74874900E-03-4.37094300E-07-6.45559900E-11+1.66388700E-14 2
++6.25972200E+04-1.23689000E+01+3.16671400E+00+2.48257200E-02-4.59163700E-05 3
++4.26801900E-08-1.48215200E-11+6.35042100E+04+8.86944600E+00 4
+C3H5O H 5O 1C 3 G 300.00 5000.00 1380.00 1
++1.02551752E+01+1.14983720E-02-3.84645659E-06+5.88910346E-10-3.38557923E-14 2
++6.26560810E+03-2.77655042E+01+1.19822582E+00+3.05579837E-02-1.80630276E-05 3
++4.86150033E-09-4.19854562E-13+9.58217784E+03+2.15566221E+01 4
+C3H6OOH1-2 O 2H 7C 3 G 300.00 5000.00 1402.00 1
++1.24605763E+01+1.58889526E-02-5.32742106E-06+8.15818791E-10-4.68723250E-14 2
+-4.20305196E+03-3.23858947E+01+2.87774562E+00+3.74166999E-02-2.36058063E-05 3
++7.79930860E-09-1.06042562E-12-7.82368119E+02+1.93941340E+01 4
+C3H6OOH1-3 O 2H 7C 3 G 300.00 5000.00 1384.00 1
++1.46881564E+01+1.49941200E-02-5.24056505E-06+8.25462711E-10-4.83758952E-14 2
+-4.77342863E+03-4.77984492E+01+1.88331465E+00+4.40156051E-02-3.07858462E-05 3
++1.13214862E-08-1.75323184E-12-1.68779168E+02+2.14040621E+01 4
+C3H6OOH2-1 O 2H 7C 3 G 300.00 5000.00 1407.00 1
++1.42163221E+01+1.43382450E-02-4.78004477E-06+7.29133134E-10-4.17761973E-14 2
+-5.67381620E+03-4.35770997E+01+2.09193950E+00+4.69220394E-02-3.90280831E-05 3
++1.72381453E-08-3.07968979E-12-1.89377918E+03+2.00178282E+01 4
+C3H6OOH1-2O2 O 4H 7C 3 G 300.00 5000.00 1386.00 1
++1.91759159E+01+1.59857013E-02-5.61306378E-06+8.86880495E-10-5.20877040E-14 2
+-2.64412115E+04-6.77512936E+01+2.65196584E+00+5.74638149E-02-4.72190867E-05 3
++2.05591557E-08-3.68787387E-12-2.08829371E+04+2.01547955E+01 4
+C3H6OOH1-3O2 O 4H 7C 3 G 300.00 5000.00 1382.00 1
++1.85916698E+01+1.65328553E-02-5.81343626E-06+9.19396939E-10-5.40320702E-14 2
+-2.39598698E+04-6.42544402E+01+3.14864588E+00+5.33542571E-02-4.08330611E-05 3
++1.67542220E-08-2.89288326E-12-1.85473645E+04+1.86305431E+01 4
+C3H6OOH2-1O2 O 4H 7C 3 G 300.00 5000.00 1386.00 1
++1.91759159E+01+1.59857013E-02-5.61306378E-06+8.86880495E-10-5.20877040E-14 2
+-2.64412115E+04-6.77512936E+01+2.65196584E+00+5.74638149E-02-4.72190867E-05 3
++2.05591557E-08-3.68787387E-12-2.08829371E+04+2.01547955E+01 4
+C3H6OOH2-2 O 2H 7C 3 G 300.00 5000.00 1407.00 1
++1.42163221E+01+1.43382450E-02-4.78004477E-06+7.29133134E-10-4.17761973E-14 2
+-5.67381620E+03-4.35770997E+01+2.09193950E+00+4.69220394E-02-3.90280831E-05 3
++1.72381453E-08-3.07968979E-12-1.89377918E+03+2.00178282E+01 4
+NC3H7O2H H 8O 2C 3 G 300.00 5000.00 1385.00 1
++1.50895501E+01+1.71714707E-02-5.98498879E-06+9.40964412E-10-5.50728381E-14 2
+-2.98352445E+04-5.28090166E+01+1.13366696E+00+4.84919904E-02-3.31801457E-05 3
++1.19308278E-08-1.80905372E-12-2.47845493E+04+2.27256088E+01 4
+IC3H7O2H H 8O 2C 3 G 300.00 5000.00 1389.00 1
++1.57046391E+01+1.65924516E-02-5.77250934E-06+9.06453070E-10-5.30084111E-14 2
+-3.23268564E+04-5.71735156E+01+5.19265570E-01+5.32111228E-02-4.05156892E-05 3
++1.63346713E-08-2.73751233E-12-2.71048486E+04+2.40815065E+01 4
+NC3H7O2 O 2H 7C 3 G 300.00 5000.00 1384.00 1
++1.26327059E+01+1.69910726E-02-5.88866873E-06+9.22195396E-10-5.38230675E-14 2
+-1.19194652E+04-3.85349297E+01+2.10731492E+00+3.96164986E-02-2.49491599E-05 3
++8.59450300E-09-1.31240330E-12-7.93745567E+03+1.89082748E+01 4
+IC3H7O2 O 2H 7C 3 G 300.00 5000.00 1388.00 1
++1.32493493E+01+1.64082190E-02-5.67432062E-06+8.87336340E-10-5.17361535E-14 2
+-1.44109855E+04-4.29066213E+01+1.49941639E+00+4.43081205E-02-3.22414456E-05 3
++1.29687136E-08-2.23370569E-12-1.02587980E+04+2.02336490E+01 4
+NC3H7O H 7O 1C 3 G 300.00 5000.00 1398.00 1
++1.14771726E+01+1.54936722E-02-5.29459014E-06+8.21476970E-10-4.76382658E-14 2
+-1.03998532E+04-3.53681150E+01-2.16869993E-01+4.14789744E-02-2.68724173E-05 3
++8.76685704E-09-1.13947550E-12-6.21358042E+03+2.78942641E+01 4
+IC3H7O H 7O 1C 3 G 300.00 5000.00 1393.00 1
++1.23135031E+01+1.38062606E-02-4.91585531E-06+8.21075632E-10-5.07493001E-14 2
+-1.24717023E+04-4.17270532E+01-8.18260771E-01+4.68807147E-02-3.74369377E-05 3
++1.55917264E-08-2.64308171E-12-8.15153216E+03+2.79483196E+01 4
+C3H6O1-2 H 6O 1C 3 G 300.00 5000.00 1379.00 1
++1.19825289E+01+1.23964696E-02-4.39113813E-06+6.97911182E-10-4.11585127E-14 2
+-1.69739189E+04-4.22894035E+01-1.21988153E+00+4.28578772E-02-3.17530249E-05 3
++1.21763736E-08-1.94154303E-12-1.22953761E+04+2.88467826E+01 4
+C3H6O1-3 H 6O 1C 3 G 300.00 5000.00 2035.00 1
++1.02363953E+01+1.50514705E-02-5.63636534E-06+9.32463455E-10-5.66102441E-14 2
+-1.46212029E+04-3.36724732E+01-2.75717996E+00+4.26371602E-02-2.56831231E-05 3
++6.62981208E-09-5.31193325E-13-1.00990375E+04+3.67181804E+01 4
+C3KET12 H 6O 3C 3 G 300.00 5000.00 1388.00 1
++1.70756225E+01+1.31013491E-02-4.61949408E-06+7.31991329E-10-4.30788679E-14 2
+-4.17008637E+04-5.95778952E+01+1.10507238E+00+5.27396706E-02-4.31805774E-05 3
++1.81618292E-08-3.10535568E-12-3.63627536E+04+2.54111636E+01 4
+C3KET13 H 6O 3C 3 G 300.00 5000.00 1379.00 1
++1.58927479E+01+1.40990923E-02-4.96118851E-06+7.84992198E-10-4.61488928E-14 2
+-3.93774829E+04-5.26049341E+01+3.55241022E+00+4.18720270E-02-2.94550370E-05 3
++1.09982900E-08-1.75045977E-12-3.48902671E+04+1.42082894E+01 4
+C3KET21 H 6O 3C 3 G 300.00 5000.00 1371.00 1
++1.56377776E+01+1.44059342E-02-5.08808082E-06+8.07076119E-10-4.75295650E-14 2
+-4.30657975E+04-5.13105869E+01+4.55686367E+00+3.57076837E-02-1.94712054E-05 3
++4.70695431E-09-3.69753807E-13-3.86710975E+04+9.97761694E+00 4
+C3H51-2,3OOH O 4H 7C 3 G 300.00 5000.00 1386.00 1
++2.12378169E+01+1.39519596E-02-4.94539222E-06+7.86381389E-10-4.63925564E-14 2
+-1.92864584E+04-7.69636561E+01+2.55619708E+00+6.13504487E-02-5.23205391E-05 3
++2.28208029E-08-4.02231508E-12-1.31353414E+04+2.21043799E+01 4
+C3H52-1,3OOH O 4H 7C 3 G 300.00 5000.00 1379.00 1
++2.02817964E+01+1.48155431E-02-5.25503386E-06+8.35963453E-10-4.93308915E-14 2
+-1.80085066E+04-7.22688262E+01+4.12253742E+00+5.19553611E-02-3.83733727E-05 3
++1.45851637E-08-2.29820536E-12-1.22759164E+04+1.48367359E+01 4
+C3H6OH H 7O 1C 3 G 300.00 5000.00 1674.00 1
++9.31287816E+00+1.67579212E-02-5.75555480E-06+9.00584362E-10-5.26566836E-14 2
+-1.20169635E+04-1.95011064E+01+1.20494302E+00+3.30857885E-02-1.63893637E-05 3
++3.18103918E-09-6.84229288E-14-9.12961720E+03+2.47155202E+01 4
+HOC3H6O2 H 7O 3C 3 G 300.00 5000.00 1397.00 1
++1.42691004E+01+1.71837825E-02-5.83419536E-06+9.00994191E-10-5.20716210E-14 2
+-3.14501750E+04-4.15295035E+01+3.06954289E+00+4.43105640E-02-3.18636260E-05 3
++1.26409287E-08-2.12751901E-12-2.75893676E+04+1.83891218E+01 4
+CH3CHCO H 4O 1C 3 G 300.00 5000.00 1400.00 1
++1.00219123E+01+9.56966300E-03-3.26221644E-06+5.05231706E-10-2.92593257E-14 2
+-1.42482738E+04-2.77829973E+01+1.48380119E+00+3.22203013E-02-2.70250033E-05 3
++1.20499164E-08-2.18365931E-12-1.15276540E+04+1.71552068E+01 4
+AC3H5OOH H 6O 2C 3 G 300.00 5000.00 1394.00 1
++1.36837693E+01+1.33968049E-02-4.61533631E-06+7.19988958E-10-4.19109988E-14 2
+-1.33165248E+04-4.31904193E+01+2.43934647E+00+4.02070638E-02-2.95322679E-05 3
++1.14715600E-08-1.85170511E-12-9.43679906E+03+1.70549969E+01 4
+C2H3OOH H 4O 2C 2 G 300.00 5000.00 1397.00 1
++1.15749951E+01+8.09909174E-03-2.81808668E-06+4.42697954E-10-2.58998042E-14 2
+-8.84852664E+03-3.43859117E+01+1.35644398E+00+3.37002447E-02-2.75988500E-05 3
++1.14222854E-08-1.89488886E-12-5.49996692E+03+1.98354466E+01 4
+C4H10 C 4H 10 G 300.00 5000.00 1392.00 1
++1.24940183E+01+2.17726258E-02-7.44272215E-06+1.15487023E-09-6.69712949E-14 2
+-2.18403437E+04-4.45558921E+01-4.55756824E-01+4.80323389E-02-2.65497552E-05 3
++6.92544700E-09-6.38317504E-13-1.68960904E+04+2.64870966E+01 4
+C4H8-1 C 4H 8 G 300.00 5000.00 1391.00 1
++1.13456574E+01+1.80843428E-02-6.17276514E-06+9.56925815E-10-5.54586212E-14 2
+-5.88659450E+03-3.64627206E+01-8.33377133E-01+4.54141123E-02-2.97609030E-05 3
++1.03518354E-08-1.51975733E-12-1.49161811E+03+2.94327905E+01 4
+C4H8-2 C 4H 8 G 300.00 5000.00 1384.00 1
++1.07864376E+01+1.84629194E-02-6.28289490E-06+9.72052191E-10-5.62579166E-14 2
+-7.11649782E+03-3.44892763E+01+6.69213599E-01+3.76839941E-02-1.85689683E-05 3
++3.69571062E-09-1.03095209E-13-3.11675402E+03+2.14868169E+01 4
+PC4H9 C 4H 9 G 300.00 5000.00 1391.00 1
++1.20779744E+01+1.96264778E-02-6.71302199E-06+1.04206424E-09-6.04469282E-14 2
++3.22550473E+03-3.87719384E+01+3.20730933E-01+4.34654454E-02-2.40584970E-05 3
++6.28245308E-09-5.80113166E-13+7.71490893E+03+2.57301085E+01 4
+SC4H9 C 4H 9 G 300.00 5000.00 1381.00 1
++1.16934304E+01+1.96402287E-02-6.65306517E-06+1.02631895E-09-5.92826294E-14 2
++1.96382429E+03-3.61626672E+01+8.49159986E-01+3.82085320E-02-1.49626797E-05 3
++2.04499211E-10+8.24254437E-13+6.38832956E+03+2.44466606E+01 4
+C4H71-1 C 4H 7 G 300.00 5000.00 1393.00 1
++1.12162042E+01+1.56658034E-02-5.34224661E-06+8.27633431E-10-4.79428797E-14 2
++2.41404271E+04-3.38119007E+01+1.19943124E-01+4.15804401E-02-2.89254150E-05 3
++1.08174803E-08-1.70622296E-12+2.80390734E+04+2.58581923E+01 4
+C4H71-2 C 4H 7 G 300.00 5000.00 1389.00 1
++1.07092407E+01+1.61102825E-02-5.49846133E-06+8.52304018E-10-4.93905022E-14 2
++2.31874323E+04-3.07648054E+01+9.64124370E-01+3.66781354E-02-2.17105448E-05 3
++6.55880219E-09-8.11791145E-13+2.68423270E+04+2.24365633E+01 4
+C4H71-3 C 4H 7 G 300.00 5000.00 1392.00 1
++1.09470170E+01+1.63724387E-02-5.59896200E-06+8.69147693E-10-5.04214389E-14 2
++1.11181741E+04-3.54908400E+01-1.12475112E+00+4.34882854E-02-2.87750454E-05 3
++9.88046971E-09-1.40120341E-12+1.54420160E+04+2.97651156E+01 4
+C4H71-4 C 4H 7 G 300.00 5000.00 1392.00 1
++1.09215027E+01+1.59294073E-02-5.43642246E-06+8.42695797E-10-4.88353299E-14 2
++1.90921144E+04-3.12721325E+01-4.09581101E-02+4.06024409E-02-2.67339769E-05 3
++9.28995844E-09-1.35368138E-12+2.30309664E+04+2.79985374E+01 4
+C4H72-2 C 4H 7 G 300.00 5000.00 1379.00 1
++1.01554133E+01+1.65013248E-02-5.61672328E-06+8.69103603E-10-5.03037094E-14 2
++2.18242102E+04-2.81884706E+01+2.43874352E+00+2.92295980E-02-1.10907624E-05 3
++3.35089369E-10+4.95669524E-13+2.50864168E+04+1.52219548E+01 4
+C4H6 C 4H 6 G 300.00 5000.00 1398.00 1
++1.11633789E+01+1.37163965E-02-4.69715783E-06+7.29693836E-10-4.23486203E-14 2
++7.79039770E+03-3.69847949E+01-1.43095121E+00+4.78706062E-02-4.15446800E-05 3
++1.91549552E-08-3.57158507E-12+1.17551314E+04+2.90825833E+01 4
+PC4H9O2H C 4O 2H 10 G 300.00 5000.00 1387.00 1
++1.82687454E+01+2.16940079E-02-7.54629828E-06+1.18484806E-09-6.92818498E-14 2
+-3.39441633E+04-6.84816300E+01+6.34644286E-01+6.20007657E-02-4.34477749E-05 3
++1.61407616E-08-2.53121507E-12-2.76345805E+04+2.67026090E+01 4
+SC4H9O2H C 4O 2H 10 G 300.00 5000.00 1390.00 1
++1.88587916E+01+2.11200987E-02-7.33205568E-06+1.14969842E-09-6.71656991E-14 2
+-3.64236058E+04-7.20026458E+01+3.40587657E-01+6.52078069E-02-4.84840460E-05 3
++1.91011830E-08-3.13833073E-12-3.00007960E+04+2.72835451E+01 4
+PC4H9O2 C 4O 2H 9 G 300.00 5000.00 1385.00 1
++1.57845448E+01+2.15210910E-02-7.44909017E-06+1.16558071E-09-6.79885609E-14 2
+-1.60146054E+04-5.40388525E+01+1.94363650E+00+5.15513163E-02-3.28284400E-05 3
++1.13064860E-08-1.70118606E-12-1.08358103E+04+2.13503149E+01 4
+SC4H9O2 C 4O 2H 9 G 300.00 5000.00 1389.00 1
++1.64031135E+01+2.09361006E-02-7.23393011E-06+1.13058996E-09-6.58938667E-14 2
+-1.85074517E+04-5.77331636E+01+1.32689044E+00+5.62785583E-02-4.01717786E-05 3
++1.57120967E-08-2.62948443E-12-1.31557057E+04+2.34069659E+01 4
+PC4H9O C 4H 9O 1 G 300.00 5000.00 1403.00 1
++1.49315588E+01+1.95927054E-02-6.66958265E-06+1.03222635E-09-5.97583630E-14 2
+-1.46178979E+04-5.25561919E+01-4.99964924E-01+5.37157310E-02-3.44426650E-05 3
++1.08145957E-08-1.29600044E-12-9.11644218E+03+3.09183423E+01 4
+SC4H9O C 4H 9O 1 G 300.00 5000.00 1679.00 1
++1.43323395E+01+2.04542365E-02-7.12271896E-06+1.12545447E-09-6.62697853E-14 2
+-1.60006806E+04-5.02030895E+01-4.09000900E-01+5.38573427E-02-3.39105695E-05 3
++1.01023834E-08-1.11268025E-12-1.11109627E+04+2.88554742E+01 4
+C4H7O C 4H 7O 1 G 300.00 5000.00 1395.00 1
++1.53137780E+01+1.43427017E-02-4.81625517E-06+7.39574839E-10-4.26140814E-14 2
+-7.29342884E+02-5.52937859E+01-1.60619192E+00+5.58562682E-02-4.35595767E-05 3
++1.70589279E-08-2.65635180E-12+4.85090326E+03+3.47112559E+01 4
+C4H8O1-2 C 4H 8O 1 G 300.00 5000.00 1399.00 1
++1.39197290E+01+1.85551492E-02-6.36014179E-06+9.88844645E-10-5.74274779E-14 2
+-2.09452548E+04-5.06788231E+01-2.42033073E+00+5.79308508E-02-4.30236499E-05 3
++1.66679793E-08-2.64714350E-12-1.53950880E+04+3.66425242E+01 4
+C4H8O1-3 C 4H 8O 1 G 300.00 5000.00 1371.00 1
++1.54227092E+01+1.70211052E-02-6.06347951E-06+9.67354762E-10-5.71992419E-14 2
+-2.20194174E+04-6.13871862E+01-2.53690104E+00+5.43995707E-02-3.43390305E-05 3
++1.01079922E-08-1.10262736E-12-1.52980680E+04+3.67400719E+01 4
+C4H8O1-4 C 4H 8O 1 G 300.00 5000.00 1361.00 1
++1.42360731E+01+1.81176105E-02-6.46263809E-06+1.03194372E-09-6.10557331E-14 2
+-2.99478670E+04-5.52081041E+01-3.28505561E+00+5.04800902E-02-2.51998984E-05 3
++3.65743744E-09+3.94863161E-13-2.30067422E+04+4.19349253E+01 4
+C4H8O2-3 C 4H 8O 1 G 300.00 5000.00 1384.00 1
++1.58263859E+01+1.64400938E-02-5.80680311E-06+9.21146000E-10-5.42511002E-14 2
+-2.35334573E+04-6.34844562E+01-2.98701197E+00+6.32678880E-02-5.20855777E-05 3
++2.24064364E-08-3.95416618E-12-1.71957196E+04+3.66920390E+01 4
+PC4H8OH C 4H 9O 1 G 300.00 5000.00 1503.00 1
++1.40357398E+01+1.94173155E-02-6.50230141E-06+9.95481694E-10-5.72034525E-14 2
+-1.67631276E+04-4.41162528E+01+1.20329680E+00+4.40218297E-02-2.12295754E-05 3
++3.03714993E-09+3.72027554E-13-1.18622440E+04+2.65515175E+01 4
+SC4H8OH C 4H 9O 1 G 300.00 5000.00 1392.00 1
++1.48421985E+01+1.78435665E-02-6.16709050E-06+1.00443458E-09-6.10697983E-14 2
+-1.81714637E+04-4.96976895E+01-1.04565044E+00+5.72423420E-02-4.43109142E-05 3
++1.80944672E-08-3.02843329E-12-1.28718032E+04+3.48383489E+01 4
+C4H8OH-1O2 C 4H 9O 3 G 300.00 5000.00 1396.00 1
++1.74383247E+01+2.16778876E-02-7.37772628E-06+1.14128811E-09-6.60391451E-14 2
+-3.55892620E+04-5.71247140E+01+2.88497398E+00+5.63287929E-02-3.98403503E-05 3
++1.53891643E-08-2.51940787E-12-3.05246721E+04+2.09293355E+01 4
+C4H8OH-2O2 C 4H 9O 3 G 300.00 5000.00 1399.00 1
++1.82942871E+01+2.09395389E-02-7.12096934E-06+1.10103094E-09-6.36889768E-14 2
+-3.80505855E+04-6.29154326E+01+2.10003504E+00+6.17528218E-02-4.77238541E-05 3
++1.99145784E-08-3.44416275E-12-3.26698755E+04+2.30901271E+01 4
+C4H8OOH1-1 C 4O 2H 9 G 300.00 5000.00 1379.00 1
++1.80477436E+01+1.92137176E-02-6.66503008E-06+1.04468117E-09-6.10170737E-14 2
+-1.23069570E+04-6.33580990E+01+4.36087539E+00+4.46153162E-02-2.14784588E-05 3
++3.14619957E-09+3.03152649E-13-6.89950326E+03+1.24757248E+01 4
+C4H8OOH1-2 C 4O 2H 9 G 300.00 5000.00 1393.00 1
++1.58327906E+01+2.07220436E-02-7.09869028E-06+1.10302045E-09-6.40251984E-14 2
+-8.53034314E+03-5.04399828E+01+1.51698234E+00+5.44584331E-02-3.84524319E-05 3
++1.48145523E-08-2.42809434E-12-3.49728423E+03+2.64916926E+01 4
+C4H8OOH1-3 C 4O 2H 9 G 300.00 5000.00 1377.00 1
++1.76442170E+01+1.91706536E-02-6.57168641E-06+1.02246571E-09-5.94304735E-14 2
+-1.01859280E+04-6.17115813E+01+1.94106276E+00+5.18789351E-02-3.10411683E-05 3
++8.63568881E-09-8.42841994E-13-4.34315962E+03+2.40230471E+01 4
+C4H8OOH1-4 C 4O 2H 9 G 300.00 5000.00 1386.00 1
++1.78623700E+01+1.95212501E-02-6.80351173E-06+1.06960529E-09-6.26000540E-14 2
+-8.87923008E+03-6.34393359E+01+1.45017084E+00+5.72418991E-02-4.06431218E-05 3
++1.52821793E-08-2.42123218E-12-3.02905522E+03+2.50737890E+01 4
+C4H8OOH2-1 C 4O 2H 9 G 300.00 5000.00 1390.00 1
++1.84555673E+01+1.89543719E-02-6.59381457E-06+1.03538370E-09-6.05467101E-14 2
+-1.13637100E+04-6.69839138E+01+1.01711681E+00+6.10560866E-02-4.65789185E-05 3
++1.88024138E-08-3.15265575E-12-5.37391474E+03+2.63059691E+01 4
+C4H8OOH2-2 C 4O 2H 9 G 300.00 5000.00 1383.00 1
++1.63837700E+01+2.04422768E-02-7.04524557E-06+1.09927552E-09-6.39967086E-14 2
+-1.45616229E+04-5.33147431E+01+4.40329034E+00+4.30478989E-02-2.14076129E-05 3
++4.28267268E-09-1.27804885E-13-9.79432029E+03+1.30514046E+01 4
+C4H8OOH2-3 C 4O 2H 9 G 300.00 5000.00 1387.00 1
++1.79338472E+01+1.92153623E-02-6.64486961E-06+1.03940007E-09-6.06239862E-14 2
+-1.25767913E+04-6.36194089E+01+1.45436266E+00+5.63121286E-02-3.84161425E-05 3
++1.34229297E-08-1.92382914E-12-6.68916116E+03+2.54247554E+01 4
+C4H8OOH2-4 C 4O 2H 9 G 300.00 5000.00 1390.00 1
++1.84555673E+01+1.89543719E-02-6.59381457E-06+1.03538370E-09-6.05467101E-14 2
+-1.13637100E+04-6.69839138E+01+1.01711681E+00+6.10560866E-02-4.65789185E-05 3
++1.88024138E-08-3.15265575E-12-5.37391474E+03+2.63059691E+01 4
+C4H8OOH1-2O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH1-3O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH1-4O2 C 4O 4H 9 G 300.00 5000.00 1383.00 1
++2.17116470E+01+2.11216172E-02-7.40101448E-06+1.16772959E-09-6.85139846E-14 2
+-2.80483124E+04-7.95885249E+01+3.12351717E+00+6.46725908E-02-4.78357914E-05 3
++1.89656817E-08-3.18025828E-12-2.14664300E+04+2.04322494E+01 4
+C4H8OOH2-1O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH2-3O2 C 4O 4H 9 G 300.00 5000.00 1389.00 1
++2.29951044E+01+1.99238919E-02-6.96326765E-06+1.09677832E-09-6.42747281E-14 2
+-3.30095408E+04-8.71461958E+01+2.19248006E+00+7.36763430E-02-6.24428300E-05 3
++2.79371307E-08-5.10126013E-12-2.61773538E+04+2.29568752E+01 4
+C4H8OOH2-4O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+NC4KET12 C 4H 8O 3 G 300.00 5000.00 1388.00 1
++2.02458485E+01+1.76440360E-02-6.19054598E-06+9.77688024E-10-5.74053258E-14 2
+-4.58141511E+04-7.52145443E+01+8.05387149E-01+6.52375119E-02-5.18373651E-05 3
++2.13454896E-08-3.59860255E-12-3.92395961E+04+2.84908472E+01 4
+NC4KET13 C 4H 8O 3 G 300.00 5000.00 1386.00 1
++1.96430808E+01+1.80940566E-02-6.33063232E-06+9.97860399E-10-5.85076458E-14 2
+-4.59588851E+04-7.16905094E+01+2.74883461E+00+5.86936745E-02-4.49605895E-05 3
++1.83200130E-08-3.11765369E-12-4.01065878E+04+1.88072090E+01 4
+NC4KET14 C 4H 8O 3 G 300.00 5000.00 1382.00 1
++1.90283822E+01+1.86604765E-02-6.53616227E-06+1.03102482E-09-6.04833256E-14 2
+-4.34678787E+04-6.80210373E+01+3.40797147E+00+5.37386096E-02-3.72613233E-05 3
++1.36862855E-08-2.13798779E-12-3.77919233E+04+1.65580190E+01 4
+NC4KET21 C 4H 8O 3 G 300.00 5000.00 1376.00 1
++1.86231473E+01+1.90969401E-02-6.70745998E-06+1.05994690E-09-6.22564248E-14 2
+-4.71929933E+04-6.55477892E+01+4.69785973E+00+4.83859623E-02-3.05576939E-05 3
++1.02705744E-08-1.51713483E-12-4.18665528E+04+1.06715264E+01 4
+NC4KET23 C 4H 8O 3 G 300.00 5000.00 1387.00 1
++1.99512969E+01+1.79558596E-02-6.31230878E-06+9.98217386E-10-5.86636973E-14 2
+-4.95585495E+04-7.43071328E+01+4.50575961E-01+6.48862527E-02-5.04446464E-05 3
++2.03085220E-08-3.35952497E-12-4.28779359E+04+3.00153676E+01 4
+NC4KET24 C 4H 8O 3 G 300.00 5000.00 1380.00 1
++1.87707201E+01+1.89490823E-02-6.65182145E-06+1.05080860E-09-6.17069393E-14 2
+-4.72319802E+04-6.73335107E+01+2.93007283E+00+5.39296076E-02-3.66164919E-05 3
++1.30880106E-08-1.99245456E-12-4.14118815E+04+1.86567511E+01 4
+C2H5COCH3 C 4H 8O 1 G 300.00 5000.00 1381.00 1
++1.29004080E+01+1.92211770E-02-6.63870986E-06+1.03733411E-09-6.04509514E-14 2
+-3.52062426E+04-4.20803599E+01+1.60664724E+00+4.13951332E-02-2.23585444E-05 3
++5.78456048E-09-5.69530338E-13-3.07586009E+04+2.02429671E+01 4
+C2H5COCH2 C 4H 7O 1 G 300.00 5000.00 1383.00 1
++1.42098738E+01+1.57866459E-02-5.50529183E-06+8.65870540E-10-5.06913329E-14 2
+-1.41284951E+04-4.87132911E+01+1.54013856E+00+4.39486258E-02-2.97002421E-05 3
++1.05495313E-08-1.58598769E-12-9.50796505E+03+1.99706641E+01 4
+CH2CH2COCH3 C 4H 7O 1 G 300.00 5000.00 1380.00 1
++1.24694368E+01+1.71022143E-02-5.92156726E-06+9.26816806E-10-5.40730504E-14 2
+-1.01378242E+04-3.62186375E+01+2.40255609E+00+3.67294268E-02-1.97316510E-05 3
++5.07323216E-09-4.99655275E-13-6.15006886E+03+1.93993386E+01 4
+CH3CHCOCH3 C 4H 7O 1 G 300.00 5000.00 1384.00 1
++1.31388032E+01+1.66091073E-02-5.76924215E-06+9.04978165E-10-5.28826527E-14 2
+-1.51162098E+04-4.38876580E+01+8.12941079E-01+4.29256944E-02-2.69230252E-05 3
++8.59326807E-09-1.13188129E-12-1.05247481E+04+2.32952685E+01 4
+C2H3COCH3 C 4O 1H 6 G 300.00 5000.00 1386.00 1
++1.25571995E+01+1.49672645E-02-5.20015351E-06+8.15864365E-10-4.76824406E-14 2
+-2.14622958E+04-4.01434299E+01+2.45578501E-01+4.26432049E-02-2.91126822E-05 3
++1.03478392E-08-1.53551381E-12-1.70305379E+04+2.64430799E+01 4
+CH3CHOOCOCH3 C 4H 7O 3 G 300.00 5000.00 1393.00 1
++1.72170832E+01+1.76740453E-02-6.10387321E-06+9.53711693E-10-5.55757409E-14 2
+-3.05280370E+04-5.67959657E+01+1.59405312E+00+5.74729487E-02-4.65071459E-05 3
++2.01816805E-08-3.61175600E-12-2.53445178E+04+2.60857480E+01 4
+CH2CHOOHCOCH3 C 4H 7O 3 G 300.00 5000.00 1394.00 1
++1.93158016E+01+1.56592602E-02-5.45395604E-06+8.57160086E-10-5.01582885E-14 2
+-2.47752201E+04-6.70296581E+01+1.55204769E+00+6.08201262E-02-5.04704383E-05 3
++2.16347587E-08-3.75674081E-12-1.89563540E+04+2.71011896E+01 4
+NC3H7CHO C 4H 8O 1 G 300.00 5000.00 1378.00 1
++1.35988068E+01+1.81652474E-02-6.17844458E-06+9.55980208E-10-5.53442958E-14 2
+-3.15845348E+04-4.51790228E+01+1.87415959E+00+4.19240315E-02-2.35148779E-05 3
++6.26913673E-09-6.09443908E-13-2.71032194E+04+1.91568574E+01 4
+NC3H7CO C 4H 7O 1 G 300.00 5000.00 1380.00 1
++1.30026331E+01+1.63104877E-02-5.57642899E-06+8.65670629E-10-5.02255667E-14 2
+-1.25523385E+04-4.02608515E+01+2.67256826E+00+3.71198825E-02-2.06862859E-05 3
++5.48873888E-09-5.35864183E-13-8.58050888E+03+1.64848950E+01 4
+C3H6CHO-1 C 4H 7O 1 G 300.00 5000.00 1379.00 1
++1.30322954E+01+1.62418373E-02-5.54388124E-06+8.59723685E-10-4.98459726E-14 2
+-6.45915975E+03-3.92399021E+01+2.67672303E+00+3.73064128E-02-2.11281405E-05 3
++5.80472681E-09-6.09688236E-13-2.49714183E+03+1.75750933E+01 4
+C3H6CHO-2 C 4H 7O 1 G 300.00 5000.00 1682.00 1
++1.11942816E+01+1.81806772E-02-6.35916662E-06+1.00727333E-09-5.93943618E-14 2
+-6.86826460E+03-2.80298956E+01+2.95067531E+00+3.34223079E-02-1.45356815E-05 3
++1.67282048E-09+2.62011555E-13-3.79034324E+03+1.74324072E+01 4
+C3H6CHO-3 C 4H 7O 1 G 300.00 5000.00 1387.00 1
++1.34301738E+01+1.62250792E-02-5.60631713E-06+8.76356273E-10-5.10864241E-14 2
+-1.13561098E+04-4.47371262E+01+1.35168659E+00+4.23714083E-02-2.69123192E-05 3
++8.70132567E-09-1.15287455E-12-6.91166610E+03+2.09381509E+01 4
+C2H5CHCO C 4O 1H 6 G 300.00 5000.00 1400.00 1
++1.34100537E+01+1.38766678E-02-4.74130143E-06+7.35504188E-10-4.26457752E-14 2
+-1.83790837E+04-4.45295352E+01+2.76600655E-01+4.82966593E-02-4.02376928E-05 3
++1.76564254E-08-3.14365357E-12-1.41717351E+04+2.47118671E+01 4
+SC3H5CHO C 4O 1H 6 G 300.00 5000.00 1390.00 1
++1.31695904E+01+1.42484434E-02-4.90843998E-06+7.65789041E-10-4.45834896E-14 2
+-2.04032613E+04-4.43673205E+01+4.35795171E-01+4.48719314E-02-3.36582931E-05 3
++1.33066870E-08-2.17839128E-12-1.60394651E+04+2.37597452E+01 4
+SC3H5CO H 5C 4O 1 G 300.00 5000.00 1392.00 1
++1.25514754E+01+1.22521948E-02-4.22382101E-06+6.59184896E-10-3.83818826E-14 2
+-4.25349795E+03-4.02864145E+01+1.74191343E+00+3.97229536E-02-3.20061901E-05 3
++1.38227925E-08-2.46272017E-12-6.64428100E+02+1.70762023E+01 4
+CH2CH2CHO H 5O 1C 3 G 300.00 5000.00 1363.00 1
++9.96855598E+00+1.61917946E-02-6.64161740E-06+1.15444520E-09-7.21981790E-14 2
+-4.16450354E+03-2.73971573E+01+8.36272659E+00-3.90712606E-03+3.59751257E-05 3
+-2.69209237E-08+5.98920261E-12-7.55243244E+02-9.53140102E+00 4
+IC4H10 C 4H 10 G 300.00 5000.00 1387.00 1
++1.25375828E+01+2.20249881E-02-7.59339274E-06+1.18498137E-09-6.89902468E-14 2
+-2.29421635E+04-4.67741623E+01-9.72807331E-01+5.08660928E-02-3.12355006E-05 3
++1.02057756E-08-1.44168766E-12-1.78542290E+04+2.69572545E+01 4
+IC4H9 C 4H 9 G 300.00 5000.00 1386.00 1
++1.21276930E+01+1.98689494E-02-6.85937004E-06+1.07141528E-09-6.24184609E-14 2
++2.11952051E+03-4.08727278E+01-2.21457835E-01+4.63756324E-02-2.88282920E-05 3
++9.60200646E-09-1.39021034E-12+6.76153637E+03+2.64801220E+01 4
+TC4H9 C 4H 9 G 300.00 5000.00 1372.00 1
++1.05855083E+01+2.11892055E-02-7.31668360E-06+1.14296173E-09-6.65898835E-14 2
++3.18311189E+02-3.20671258E+01+3.04300181E+00+2.91276259E-02-4.01386786E-06 3
+-4.90273974E-09+1.64014891E-12+4.04780980E+03+1.21127351E+01 4
+IC4H8 C 4H 8 G 300.00 5000.00 1388.00 1
++1.12258330E+01+1.81795798E-02-6.20348592E-06+9.61444458E-10-5.57088057E-14 2
+-7.90617899E+03-3.66411888E+01+9.38433173E-01+3.90547287E-02-2.16437148E-05 3
++5.87267077E-09-6.14435479E-13-3.95452013E+03+1.98337802E+01 4
+IC4H7 C 4H 7 G 300.00 5000.00 1393.00 1
++1.16382753E+01+1.57681299E-02-5.38538858E-06+8.35172927E-10-4.84141083E-14 2
++1.03408230E+04-3.90259890E+01-7.20881697E-04+4.36495730E-02-3.16385877E-05 3
++1.23984983E-08-2.04378360E-12+1.43654373E+04+2.33234340E+01 4
+TC4H9O2 C 4O 2H 9 G 300.00 5000.00 1388.00 1
++1.67061556E+01+2.07327780E-02-7.17596169E-06+1.12282473E-09-6.54941386E-14 2
+-2.04046924E+04-6.35558608E+01+1.08742583E+00+5.82780709E-02-4.33292697E-05 3
++1.76892535E-08-3.06769606E-12-1.49456640E+04+2.01871963E+01 4
+IC4H9O2 C 4O 2H 9 G 300.00 5000.00 1387.00 1
++1.59741221E+01+2.13534740E-02-7.39001105E-06+1.15624411E-09-6.74408046E-14 2
+-1.72329304E+04-5.65302409E+01+1.21434293E+00+5.45388311E-02-3.67001593E-05 3
++1.34131042E-08-2.11741793E-12-1.18482450E+04+2.34153048E+01 4
+TC4H8O2H-I C 4O 2H 9 G 300.00 5000.00 1405.00 1
++1.78060253E+01+1.84952716E-02-6.21268423E-06+9.52753962E-10-5.48010330E-14 2
+-1.17555816E+04-6.40180236E+01+1.57469723E+00+6.04648659E-02-4.84991814E-05 3
++2.05236181E-08-3.52974722E-12-6.54190901E+03+2.16852700E+01 4
+IC4H8O2H-I C 4O 2H 9 G 300.00 5000.00 1388.00 1
++1.80246456E+01+1.93668264E-02-6.74676496E-06+1.06040129E-09-6.20506445E-14 2
+-1.00858977E+04-6.57629693E+01+9.94784793E-01+5.89212240E-02-4.25202225E-05 3
++1.61370574E-08-2.55904902E-12-4.08029057E+03+2.58950880E+01 4
+IC4H8O2H-T C 4O 2H 9 G 300.00 5000.00 1397.00 1
++1.52395012E+01+2.06496983E-02-6.94791927E-06+1.06651097E-09-6.13782754E-14 2
+-1.02271199E+04-4.70908585E+01+3.77633001E+00+4.50889269E-02-2.62423875E-05 3
++7.74736900E-09-9.11520393E-13-5.98295842E+03+1.53503399E+01 4
+IC4H8O C 4H 8O 1 G 300.00 5000.00 1399.00 1
++1.44624830E+01+1.80562860E-02-6.18008791E-06+9.59941341E-10-5.57132297E-14 2
+-2.30230616E+04-5.61190165E+01-2.97373741E+00+6.24618637E-02-5.04348211E-05 3
++2.13345360E-08-3.67382824E-12-1.73274318E+04+3.62336362E+01 4
+CC4H8O C 4H 8O 1 G 300.00 5000.00 1401.00 1
++1.35131704E+01+1.91666441E-02-6.53902359E-06+1.01366570E-09-5.87546671E-14 2
+-2.00311488E+04-5.22146967E+01-5.27768230E+00+6.52482242E-02-5.00209030E-05 3
++1.97452179E-08-3.15605813E-12-1.37706522E+04+4.78500688E+01 4
+IC4H9O C 4H 9O 1 G 300.00 5000.00 1393.00 1
++1.46765729E+01+2.00942091E-02-6.90362097E-06+1.07495878E-09-6.24925271E-14 2
+-1.55789914E+04-5.26039549E+01-7.66695776E-01+5.55173852E-02-3.81796473E-05 3
++1.37862085E-08-2.07312751E-12-1.01111245E+04+3.06331234E+01 4
+TC4H9O C 4H 9O 1 G 300.00 5000.00 1397.00 1
++1.50819361E+01+1.94454128E-02-6.61333610E-06+1.02279160E-09-5.91796928E-14 2
+-1.88111456E+04-5.71658947E+01-5.32084074E-01+5.71613469E-02-4.20177228E-05 3
++1.63745425E-08-2.64124700E-12-1.34963439E+04+2.62776957E+01 4
+IC4H9O2H C 4O 2H 10 G 300.00 5000.00 1388.00 1
++1.84308794E+01+2.15337606E-02-7.48623965E-06+1.17499240E-09-6.86890788E-14 2
+-3.51483277E+04-7.08030846E+01+2.44181899E-01+6.34027841E-02-4.49162379E-05 3
++1.67406877E-08-2.61216478E-12-2.86959808E+04+2.72156229E+01 4
+TC4H9O2H C 4O 2H 10 G 300.00 5000.00 1390.00 1
++1.91617041E+01+2.09157249E-02-7.27346821E-06+1.14180989E-09-6.67577135E-14 2
+-3.83201687E+04-7.78230874E+01+1.14505932E-01+6.71507854E-02-5.15578410E-05 3
++2.10256365E-08-3.56467024E-12-3.17928725E+04+2.40011030E+01 4
+IC4H7O C 4H 7O 1 G 300.00 5000.00 1386.00 1
++1.33457615E+01+1.61218588E-02-5.44376403E-06+8.38199374E-10-4.83608280E-14 2
++6.11443644E+02-4.36818838E+01+1.74700687E+00+4.07783436E-02-2.44750243E-05 3
++7.06502958E-09-7.51570589E-13+4.86979233E+03+1.94535999E+01 4
+IC4H8OH C 4H 9O 1 G 300.00 5000.00 1376.00 1
++1.25605997E+01+2.10637488E-02-7.15019648E-06+1.10439262E-09-6.38428695E-14 2
+-1.86203249E+04-3.67889430E+01+3.29612707E+00+3.47649647E-02-1.02505618E-05 3
+-2.04641931E-09+1.18879408E-12-1.45627247E+04+1.58606320E+01 4
+IO2C4H8OH C 4H 9O 3 G 300.00 5000.00 1395.00 1
++1.79798208E+01+2.13452115E-02-7.29108198E-06+1.13068846E-09-6.55402236E-14 2
+-3.85769917E+04-6.23553522E+01+2.88826008E+00+5.80363124E-02-4.26690874E-05 3
++1.71759332E-08-2.91842186E-12-3.33881503E+04+1.83381149E+01 4
+IC3H7CHO C 4H 8O 1 G 300.00 5000.00 1391.00 1
++1.37501656E+01+1.83126722E-02-6.28572629E-06+9.78250756E-10-5.68538653E-14 2
+-3.26936771E+04-4.77270548E+01-2.73021382E-01+4.89696307E-02-3.12770049E-05 3
++1.00052945E-08-1.27512074E-12-2.76054737E+04+2.83451139E+01 4
+TC3H6CHO C 4H 7O 1 G 300.00 5000.00 1389.00 1
++1.31013047E+01+1.66391865E-02-5.68457623E-06+8.81808351E-10-5.11290161E-14 2
+-1.30638647E+04-4.42705813E+01+1.87052762E+00+4.14869677E-02-2.66815701E-05 3
++9.01531610E-09-1.27870633E-12-8.97730744E+03+1.66174178E+01 4
+IC3H7CO C 4H 7O 1 G 300.00 5000.00 1390.00 1
++1.33305736E+01+1.61873930E-02-5.56711402E-06+8.67575951E-10-5.04696549E-14 2
+-1.37307001E+04-4.33958746E+01+5.03452639E-01+4.41607510E-02-2.82139091E-05 3
++8.93548675E-09-1.11327422E-12-9.07755468E+03+2.61991461E+01 4
+IC3H6CHO C 4H 7O 1 G 300.00 5000.00 1390.00 1
++1.33102250E+01+1.62097959E-02-5.57575891E-06+8.69003718E-10-5.05554202E-14 2
+-7.62177931E+03-4.25050854E+01+5.21481767E-01+4.43114357E-02-2.86617314E-05 3
++9.30319894E-09-1.20761563E-12-2.99677086E+03+2.68182130E+01 4
+TC4H8OOH-IO2 C 4O 4H 9 G 300.00 5000.00 1386.00 1
++2.26382889E+01+2.03246143E-02-7.12390770E-06+1.12425028E-09-6.59732993E-14 2
+-3.24406877E+04-8.80387843E+01+2.17782096E+00+7.17785118E-02-5.88836046E-05 3
++2.56759171E-08-4.61678643E-12-2.55622378E+04+2.07846231E+01 4
+IC4H8OOH-IO2 C 4O 4H 9 G 300.00 5000.00 1385.00 1
++2.18969581E+01+2.09637874E-02-7.34664900E-06+1.15926594E-09-6.80225413E-14 2
+-2.92664889E+04-8.20540807E+01+2.39424426E+00+6.76572549E-02-5.17083682E-05 3
++2.10796041E-08-3.59960373E-12-2.24787495E+04+2.25029839E+01 4
+IC4H8OOH-TO2 C 4O 4H 9 G 300.00 5000.00 1386.00 1
++2.26382889E+01+2.03246143E-02-7.12390770E-06+1.12425028E-09-6.59732993E-14 2
+-3.24406877E+04-8.80387843E+01+2.17782096E+00+7.17785118E-02-5.88836046E-05 3
++2.56759171E-08-4.61678643E-12-2.55622378E+04+2.07846231E+01 4
+IC4KETII C 4H 8O 3 G 300.00 5000.00 1387.00 1
++1.95143059E+01+1.82377395E-02-6.38908606E-06+1.00801571E-09-5.91440350E-14 2
+-4.46884836E+04-7.17167584E+01+1.15501614E+00+6.10622345E-02-4.49711323E-05 3
++1.70514654E-08-2.65948602E-12-3.82747956E+04+2.69612235E+01 4
+IC4KETIT C 4H 8O 3 G 300.00 5000.00 1388.00 1
++2.09369850E+01+1.71090955E-02-6.01892169E-06+9.52353863E-10-5.59926176E-14 2
+-4.77819819E+04-8.27717611E+01+1.14243741E+00+6.33840797E-02-4.73084738E-05 3
++1.77145373E-08-2.67265475E-12-4.09366796E+04+2.34844867E+01 4
+IC4H7OH C 4H 8O 1 G 300.00 5000.00 1384.00 1
++1.35043419E+01+1.78646968E-02-5.99304371E-06+9.18717641E-10-5.28435302E-14 2
+-2.58255688E+04-4.44645715E+01+1.69099899E+00+4.27168891E-02-2.49281695E-05 3
++7.00961522E-09-7.23262828E-13-2.14512334E+04+1.99500833E+01 4
+IC4H6OH C 4H 7O 1 G 300.00 5000.00 1390.00 1
++1.40310926E+01+1.55317541E-02-5.32754961E-06+8.28785902E-10-4.81545257E-14 2
+-7.69378228E+03-4.76555306E+01+8.63371227E-01+4.68711282E-02-3.43580339E-05 3
++1.33031052E-08-2.13914975E-12-3.14948305E+03+2.29075523E+01 4
+IC3H5CHO C 4O 1H 6 G 300.00 5000.00 1396.00 1
++1.36203958E+01+1.37917192E-02-4.73370118E-06+7.36655226E-10-4.20097974E-14 2
+-2.00025274E+04-4.73184531E+01+6.27183793E-01+4.66780254E-02-3.74430631E-05 3
++1.58330542E-08-2.73952155E-12-1.57203117E+04+2.16034294E+01 4
+IC3H5CO H 5C 4O 1 G 300.00 5000.00 1397.00 1
++1.30667437E+01+1.16704244E-02-3.99106523E-06+6.19498148E-10-3.59348249E-14 2
+-3.36519344E+03-4.35803090E+01+1.85097069E+00+4.18855846E-02-3.62553731E-05 3
++1.65690659E-08-3.05850846E-12+1.70381441E+02+1.53014433E+01 4
+TC3H6OCHO C 4O 2H 7 G 300.00 5000.00 1394.00 1
++1.70371287E+01+1.54400645E-02-5.28332886E-06+8.21085347E-10-4.76898429E-14 2
+-2.75871941E+04-6.37271230E+01+3.70830259E-01+5.38475661E-02-3.82477565E-05 3
++1.32882237E-08-1.79228730E-12-2.18391262E+04+2.58142112E+01 4
+IC3H6CO C 4O 1H 6 G 300.00 5000.00 1397.00 1
++1.32548232E+01+1.40142787E-02-4.78910215E-06+7.42924342E-10-4.30737566E-14 2
+-2.00529779E+04-4.44810221E+01+2.28039055E+00+4.17016989E-02-3.25089661E-05 3
++1.37243419E-08-2.40573132E-12-1.63939712E+04+1.38187714E+01 4
+IC4H7OOH C 4O 2H 8 G 300.00 5000.00 1392.00 1
++1.69234564E+01+1.78396769E-02-6.14273279E-06+9.57895028E-10-5.57438304E-14 2
+-2.00040686E+04-5.94746070E+01+2.99117402E+00+5.03349278E-02-3.56280061E-05 3
++1.33952154E-08-2.11053409E-12-1.51095046E+04+1.54537413E+01 4
+TC3H6OHCHO C 4O 2H 8 G 300.00 5000.00 1396.00 1
++1.70788996E+01+1.74005554E-02-5.93008112E-06+9.18860909E-10-5.32512140E-14 2
+-5.38730427E+04-6.38638754E+01+2.10033500E-01+5.63086284E-02-3.95158669E-05 3
++1.37780428E-08-1.89068805E-12-4.80402638E+04+2.67836070E+01 4
+TC3H6OH H 7O 1C 3 G 300.00 5000.00 1392.00 1
++1.12222277E+01+1.36444398E-02-4.51406709E-06+7.10523275E-10-4.22690392E-14 2
+-1.75350136E+04-3.18911926E+01+1.09670360E+00+3.80727565E-02-2.75022497E-05 3
++1.07477493E-08-1.74895773E-12-1.40764487E+04+2.22475799E+01 4
+IC3H5OH H 6O 1C 3 G 300.00 5000.00 1374.00 1
++1.07381025E+01+1.31698194E-02-4.41529622E-06+6.77009837E-10-3.89608901E-14 2
+-2.47298321E+04-3.13634050E+01+1.58376391E+00+3.16215366E-02-1.73664942E-05 3
++4.18927663E-09-2.79899620E-13-2.12643496E+04+1.88313766E+01 4
+TC3H6O2CHO C 4H 7O 3 G 300.00 5000.00 1386.00 1
++1.85534443E+01+1.68774389E-02-5.90752965E-06+9.31518085E-10-5.46345187E-14 2
+-2.85447191E+04-6.82486667E+01+2.17883383E+00+5.41595832E-02-3.83435886E-05 3
++1.38308104E-08-2.04190147E-12-2.27394154E+04+2.00751264E+01 4
+TC3H6O2HCO C 4H 7O 3 G 300.00 5000.00 1387.00 1
++2.06472678E+01+1.48526500E-02-5.25104875E-06+8.33619219E-10-4.91256069E-14 2
+-2.88719869E+04-7.95951389E+01+2.03864428E+00+5.80421003E-02-4.32123528E-05 3
++1.58792094E-08-2.32209543E-12-2.24284673E+04+2.03680990E+01 4
+IC3H5O2HCHO C 4H 7O 3 G 300.00 5000.00 1387.00 1
++2.06288832E+01+1.48625539E-02-5.25305276E-06+8.33772951E-10-4.91277401E-14 2
+-2.27589076E+04-7.82962888E+01+2.05984770E+00+5.82331716E-02-4.37672100E-05 3
++1.63249918E-08-2.43462051E-12-1.63496250E+04+2.13687921E+01 4
+CH2CCH2OH H 5O 1C 3 G 300.00 5000.00 1372.00 1
++9.70702027E+00+1.13972660E-02-3.77993962E-06+5.75209277E-10-3.29229125E-14 2
++9.13212884E+03-2.25012933E+01+2.88422544E+00+2.42428071E-02-1.14152268E-05 3
++1.71775334E-09+1.42177454E-13+1.17935615E+04+1.52102335E+01 4
+TC4H8CHO C 5H 9O 1 G 300.00 5000.00 1397.00 1
++1.79663933E+01+1.94207117E-02-6.67409451E-06+1.03969221E-09-6.04702651E-14 2
+-1.33368585E+04-6.79819424E+01-9.58078294E-01+6.42003258E-02-4.70776827E-05 3
++1.75737698E-08-2.64896151E-12-6.86582501E+03+3.33781112E+01 4
+O2C4H8CHO C 5H 9O 3 G 300.00 5000.00 1395.00 1
++2.12629904E+01+2.14072282E-02-7.38342949E-06+1.15281523E-09-6.71508438E-14 2
+-3.16854524E+04-7.99828703E+01+1.91847699E+00+6.67245869E-02-4.80871046E-05 3
++1.78588690E-08-2.71163880E-12-2.49837984E+04+2.38577867E+01 4
+O2HC4H8CO C 5H 9O 3 G 300.00 5000.00 1394.00 1
++2.38219630E+01+1.91411448E-02-6.67919154E-06+1.05127303E-09-6.15876805E-14 2
+-3.23093973E+04-9.42580755E+01+1.82607262E+00+6.93466111E-02-4.93125140E-05 3
++1.69848340E-08-2.26117657E-12-2.46578311E+04+2.41167544E+01 4
+C3H5OH H 6O 1C 3 G 300.00 5000.00 1388.00 1
++1.02818222E+01+1.34248012E-02-4.47039448E-06+6.81924195E-10-3.90899553E-14 2
+-1.99960114E+04-2.77736680E+01+1.08899314E+00+3.28481769E-02-1.91322648E-05 3
++5.21635136E-09-4.82394566E-13-1.66282463E+04+2.22754535E+01 4
+TIC4H7Q2-I C 4O 4H 9 G 300.00 5000.00 1400.00 1
++2.33848631E+01+1.87070035E-02-6.44021945E-06+1.00428123E-09-5.84468189E-14 2
+-2.61180902E+04-8.76610135E+01+4.48426361E+00+6.61225007E-02-5.27349018E-05 3
++2.18215585E-08-3.66788946E-12-1.98906586E+04+1.26719614E+01 4
+IIC4H7Q2-T C 4O 4H 9 G 300.00 5000.00 1377.00 1
++2.15070321E+01+2.05359839E-02-7.12383399E-06+1.11655053E-09-6.52112103E-14 2
+-2.51117508E+04-7.43379783E+01+8.16274487E+00+4.34463050E-02-1.76972456E-05 3
++4.88790666E-10+9.03915465E-13-1.96501749E+04+2.62067299E-01 4
+IIC4H7Q2-I C 4O 4H 9 G 300.00 5000.00 1394.00 1
++2.30500244E+01+1.92149194E-02-6.66622576E-06+1.04495725E-09-6.10370520E-14 2
+-2.32086881E+04-8.39949885E+01+4.93055661E+00+6.05819201E-02-4.23665566E-05 3
++1.49122008E-08-2.10978665E-12-1.68415495E+04+1.36228018E+01 4
+CH2O2H H 3O 2C 1 G 300.00 5000.00 1357.00 1
++9.10784249E+00+5.27260434E-03-1.88170543E-06+3.00561364E-10-1.77865959E-14 2
++3.77440183E+03-2.11741044E+01+4.47228333E+00+1.33401095E-02-5.92919725E-06 3
++4.44481025E-10+2.12699899E-13+5.67413711E+03+4.72608208E+00 4
+NC5H12 C 5H 12 G 300.00 5000.00 1396.00 1
++1.59247008E+01+2.59703101E-02-8.86821278E-06+1.37514707E-09-7.97105419E-14 2
+-2.60824218E+04-6.16997349E+01-1.67881131E+00+6.41231428E-02-3.96458285E-05 3
++1.23445155E-08-1.53325385E-12-1.96474971E+04+3.39348804E+01 4
+C5H11-1 H 11C 5 G 300.00 5000.00 1396.00 1
++1.54992372E+01+2.38273176E-02-8.13845161E-06+1.26220569E-09-7.31730066E-14 2
+-1.00988975E+03-5.58563592E+01-9.94216435E-01+5.99860809E-02-3.78318587E-05 3
++1.21310895E-08-1.57042863E-12+4.97697538E+03+3.35998032E+01 4
+C5H11-2 H 11C 5 G 300.00 5000.00 1391.00 1
++1.48744992E+01+2.40593799E-02-8.15587903E-06+1.25867109E-09-7.27223868E-14 2
+-2.14733945E+03-5.17907576E+01+7.25187788E-01+4.97343569E-02-2.18806076E-05 3
++2.09007834E-09+6.62752863E-13+3.46418370E+03+2.67485348E+01 4
+C5H11-3 H 11C 5 G 300.00 5000.00 1391.00 1
++1.48744992E+01+2.40593799E-02-8.15587903E-06+1.25867109E-09-7.27223868E-14 2
+-2.14733945E+03-5.24802393E+01+7.25187788E-01+4.97343569E-02-2.18806076E-05 3
++2.09007834E-09+6.62752863E-13+3.46418370E+03+2.60590532E+01 4
+C5H10-1 C 5H 10 G 300.00 5000.00 1392.00 1
++1.45851539E+01+2.24072471E-02-7.63348025E-06+1.18188966E-09-6.84385139E-14 2
+-1.00898205E+04-5.23683936E+01-1.06223481E+00+5.74218294E-02-3.74486890E-05 3
++1.27364989E-08-1.79609789E-12-4.46546666E+03+3.22739790E+01 4
+C5H10-2 C 5H 10 G 300.00 5000.00 1389.00 1
++1.41109267E+01+2.28348272E-02-7.78626835E-06+1.20627491E-09-6.98795983E-14 2
+-1.14336507E+04-5.01601163E+01-5.41560551E-01+5.39629918E-02-3.23508738E-05 3
++9.77416037E-09-1.18534668E-12-5.98606169E+03+2.97142748E+01 4
+C5H81-3 C 5H 8 G 300.00 5000.00 1396.00 1
++1.45574490E+01+1.80939266E-02-6.21671892E-06+9.67920254E-10-5.62629326E-14 2
++1.22365462E+03-5.43889766E+01-2.32617433E+00+6.38696042E-02-5.57052591E-05 3
++2.58049480E-08-4.83405924E-12+6.55183321E+03+3.42036513E+01 4
+C5H91-3 C 5H 9 G 300.00 5000.00 1392.00 1
++1.41860454E+01+2.07128899E-02-7.06960617E-06+1.09607133E-09-6.35322208E-14 2
++7.00496135E+03-5.14501773E+01-1.38013950E+00+5.57608487E-02-3.70143928E-05 3
++1.26883901E-08-1.78538835E-12+1.25589824E+04+3.26441304E+01 4
+C5H91-4 C 5H 9 G 300.00 5000.00 1379.00 1
++1.39904314E+01+1.99962562E-02-6.73105937E-06+1.03447598E-09-5.96148983E-14 2
++1.36075123E+04-4.58753046E+01+2.07302224E-01+4.75322572E-02-2.55232300E-05 3
++5.70570808E-09-2.53926602E-13+1.88300100E+04+2.97527890E+01 4
+C5H91-5 C 5H 9 G 300.00 5000.00 1392.00 1
++1.41604486E+01+2.02710046E-02-6.90765357E-06+1.06972742E-09-6.19529514E-14 2
++1.49795090E+04-4.72301324E+01-3.00352280E-01+5.29029897E-02-3.50199571E-05 3
++1.21280172E-08-1.74459793E-12+2.01482388E+04+3.08938514E+01 4
+C5H92-4 C 5H 9 G 300.00 5000.00 1389.00 1
++1.37128284E+01+2.11391857E-02-7.22186145E-06+1.12036442E-09-6.49675872E-14 2
++5.66079366E+03-4.92475603E+01-8.61323386E-01+5.23106875E-02-3.19282664E-05 3
++9.73236622E-09-1.17585595E-12+1.10386471E+04+3.00928924E+01 4
+C5H92-5 C 5H 9 G 300.00 5000.00 1389.00 1
++1.36885460E+01+2.06966684E-02-7.05980383E-06+1.09401634E-09-6.33885833E-14 2
++1.36345574E+04-4.50306538E+01+2.16350550E-01+4.94614176E-02-2.99438792E-05 3
++9.17728978E-09-1.13613754E-12+1.86282306E+04+2.83575279E+01 4
+C5H9O1-3 C 5H 9O 1 G 300.00 5000.00 1393.00 1
++1.86270165E+01+1.85189638E-02-6.21111137E-06+9.52916260E-10-5.48704082E-14 2
+-4.97349374E+03-7.09678919E+01-2.22532588E+00+6.97271843E-02-5.42285799E-05 3
++2.13591167E-08-3.36511599E-12+1.91826163E+03+3.99711270E+01 4
+C5H9O2-4 C 5H 9O 1 G 300.00 5000.00 1387.00 1
++1.86104516E+01+1.87100216E-02-6.31627652E-06+9.73434030E-10-5.62316246E-14 2
+-6.59575918E+03-7.05163465E+01-1.66449167E+00+6.51525448E-02-4.57159226E-05 3
++1.55903830E-08-2.04144207E-12+4.10326271E+02+3.84890543E+01 4
+C5H11O2H-1 C 5O 2H 12 G 300.00 5000.00 1387.00 1
++2.14180725E+01+2.62251472E-02-9.10691067E-06+1.42824507E-09-8.34473635E-14 2
+-3.80401323E+04-8.39746734E+01+4.74596161E-01+7.38808098E-02-5.12216645E-05 3
++1.87797149E-08-2.90291870E-12-3.05323779E+04+2.91362231E+01 4
+C5H11O2H-2 C 5O 2H 12 G 300.00 5000.00 1390.00 1
++2.21712264E+01+2.55540337E-02-8.86857346E-06+1.39034021E-09-8.12122040E-14 2
+-4.06027396E+04-8.84830959E+01-2.68431172E-01+7.90975970E-02-5.89751277E-05 3
++2.33029166E-08-3.83794655E-12-3.28329870E+04+3.17836191E+01 4
+C5H11O2H-3 C 5O 2H 12 G 300.00 5000.00 1390.00 1
++2.21712264E+01+2.55540337E-02-8.86857346E-06+1.39034021E-09-8.12122040E-14 2
+-4.06027396E+04-8.84830959E+01-2.68431172E-01+7.90975970E-02-5.89751277E-05 3
++2.33029166E-08-3.83794655E-12-3.28329870E+04+3.17836191E+01 4
+C5H11O2-1 H 11C 5O 2 G 300.00 5000.00 1386.00 1
++1.89702536E+01+2.60355552E-02-9.00706834E-06+1.40888868E-09-8.21618381E-14 2
+-2.01253683E+04-6.97477616E+01+1.39788038E+00+6.52788893E-02-4.34224032E-05 3
++1.57151743E-08-2.46631324E-12-1.36791222E+04+2.55411824E+01 4
+C5H11O2-2 H 11C 5O 2 G 300.00 5000.00 1389.00 1
++1.96655539E+01+2.53946113E-02-8.77477373E-06+1.37145913E-09-7.99350015E-14 2
+-2.26521255E+04-7.38934310E+01+7.10786402E-01+7.03521821E-02-5.11565299E-05 3
++2.03005197E-08-3.42470585E-12-1.59903126E+04+2.79113132E+01 4
+C5H11O2-3 H 11C 5O 2 G 300.00 5000.00 1389.00 1
++1.96655539E+01+2.53946113E-02-8.77477373E-06+1.37145913E-09-7.99350015E-14 2
+-2.26521255E+04-7.38934310E+01+7.10786402E-01+7.03521821E-02-5.11565299E-05 3
++2.03005197E-08-3.42470585E-12-1.59903126E+04+2.79113132E+01 4
+C5H11O-1 H 11C 5O 1 G 300.00 5000.00 1391.00 1
++1.73225378E+01+2.48217999E-02-8.48159842E-06+1.31587304E-09-7.63050620E-14 2
+-1.83356880E+04-6.37681611E+01-9.02925873E-02+6.34116550E-02-4.09268668E-05 3
++1.36982820E-08-1.89646466E-12-1.20333690E+04+3.05672313E+01 4
+C5H11O-2 H 11C 5O 1 G 300.00 5000.00 1396.00 1
++1.78183150E+01+2.44541516E-02-8.36505611E-06+1.29863054E-09-7.53356869E-14 2
+-2.06350810E+04-6.67615213E+01-4.94527725E-01+6.73149844E-02-4.72324734E-05 3
++1.75936532E-08-2.73651943E-12-1.42372243E+04+3.16370708E+01 4
+C5H11O-3 H 11C 5O 1 G 300.00 5000.00 1396.00 1
++1.78183150E+01+2.44541516E-02-8.36505611E-06+1.29863054E-09-7.53356869E-14 2
+-2.06350810E+04-6.74510029E+01-4.94527725E-01+6.73149844E-02-4.72324734E-05 3
++1.75936532E-08-2.73651943E-12-1.42372243E+04+3.09475892E+01 4
+C5H10OOH1-2 H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-3 H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-4 H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-5 H 11C 5O 2 G 300.00 5000.00 1387.00 1
++2.10114488E+01+2.40561226E-02-8.36616955E-06+1.31339875E-09-7.67917194E-14 2
+-1.29757849E+04-7.89329903E+01+1.26957212E+00+6.92172253E-02-4.85626715E-05 3
++1.80144791E-08-2.81415382E-12-5.92384799E+03+2.76017751E+01 4
+C5H10OOH2-1 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10OOH2-3 H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH2-4 H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH2-5 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10OOH3-2 H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH3-1 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10O1-2 C 5O 1H 10 G 300.00 5000.00 1382.00 1
++1.83450823E+01+2.15894287E-02-7.59914917E-06+1.20265688E-09-7.07149348E-14 2
+-2.52918816E+04-7.38748127E+01-2.50915891E+00+7.02820905E-02-5.23078154E-05 3
++2.05330738E-08-3.37999472E-12-1.79263879E+04+3.83402738E+01 4
+C5H10O1-3 C 5O 1H 10 G 300.00 5000.00 1370.00 1
++1.85051134E+01+2.17909650E-02-7.74803799E-06+1.23453810E-09-7.29327086E-14 2
+-2.62151881E+04-7.74524221E+01-2.70067147E+00+6.51234466E-02-3.97863209E-05 3
++1.12983558E-08-1.18141056E-12-1.81611984E+04+3.87589334E+01 4
+C5H10O1-4 C 5O 1H 10 G 300.00 5000.00 1371.00 1
++1.77074517E+01+2.24725523E-02-7.98404192E-06+1.27146816E-09-7.50866945E-14 2
+-3.63066445E+04-7.27392560E+01-3.94205066E+00+6.68440102E-02-4.09940878E-05 3
++1.17684771E-08-1.26029870E-12-2.80943137E+04+4.58617150E+01 4
+C5H10O1-5 C 5O 1H 10 G 300.00 5000.00 1457.00 1
++2.13684109E+01+1.97321411E-02-7.12842160E-06+1.14789888E-09-6.83162787E-14 2
+-3.89834904E+04-1.00032176E+02-3.02904503E+00+6.01320166E-02-2.12072490E-05 3
+-4.91313274E-09+3.07577547E-12-2.91028862E+04+3.64698785E+01 4
+C5H10O2-3 C 5O 1H 10 G 300.00 5000.00 1385.00 1
++1.89379846E+01+2.10434849E-02-7.40107577E-06+1.17069402E-09-6.88106356E-14 2
+-2.76228814E+04-7.74017673E+01-3.03891874E+00+7.46406721E-02-5.91275018E-05 3
++2.46307903E-08-4.24312686E-12-2.01088998E+04+4.00106761E+01 4
+C5H10O2-4 C 5O 1H 10 G 300.00 5000.00 1376.00 1
++1.91186278E+01+2.12169126E-02-7.53764833E-06+1.20035780E-09-7.08866585E-14 2
+-2.85216189E+04-8.03408390E+01-3.50702064E+00+7.13707278E-02-4.99483546E-05 3
++1.76515898E-08-2.56653255E-12-2.03198734E+04+4.22612571E+01 4
+C5H10OOH1-2O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-3O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-4O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-5O2 H 11C 5O 4 G 300.00 5000.00 1385.00 1
++2.48666576E+01+2.56688838E-02-8.97169324E-06+1.41315614E-09-8.28158711E-14 2
+-3.21479218E+04-9.51211738E+01+2.81997434E+00+7.72690504E-02-5.67282509E-05 3
++2.23236523E-08-3.71501383E-12-2.43447483E+04+2.35135259E+01 4
+C5H10OOH2-1O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH2-3O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+C5H10OOH2-4O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+C5H10OOH2-5O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH3-1O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH3-2O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+NC5KET12 C 5O 3H 10 G 300.00 5000.00 1389.00 1
++2.34427049E+01+2.21540692E-02-7.74817880E-06+1.22107095E-09-7.15883644E-14 2
+-4.99350593E+04-9.09970812E+01+5.64845658E-01+7.74889690E-02-6.00818427E-05 3
++2.42432817E-08-4.02329880E-12-4.21262314E+04+3.12910774E+01 4
+NC5KET13 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.27897549E+01+2.26387719E-02-7.89832354E-06+1.24260309E-09-7.27609759E-14 2
+-5.00526193E+04-8.71676166E+01+2.53945153E+00+7.08645319E-02-5.32266350E-05 3
++2.12906293E-08-3.56676536E-12-4.29988725E+04+2.14543054E+01 4
+NC5KET14 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.27897549E+01+2.26387719E-02-7.89832354E-06+1.24260309E-09-7.27609759E-14 2
+-5.00526193E+04-8.71676166E+01+2.53945153E+00+7.08645319E-02-5.32266350E-05 3
++2.12906293E-08-3.56676536E-12-4.29988725E+04+2.14543054E+01 4
+NC5KET15 C 5O 3H 10 G 300.00 5000.00 1383.00 1
++2.21776239E+01+2.31939864E-02-8.09797899E-06+1.27464047E-09-7.46625107E-14 2
+-4.75611599E+04-8.35091033E+01+3.22565144E+00+6.57620962E-02-4.52752542E-05 3
++1.64810866E-08-2.54467139E-12-4.06876266E+04+1.90851234E+01 4
+NC5KET21 C 5O 3H 10 G 300.00 5000.00 1379.00 1
++2.17534680E+01+2.36666119E-02-8.28610759E-06+1.30663620E-09-7.66324076E-14 2
+-5.12815467E+04-8.09340957E+01+4.56687437E+00+6.01978739E-02-3.82935508E-05 3
++1.29220662E-08-1.89791227E-12-4.47703435E+04+1.29580830E+01 4
+NC5KET23 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.31409808E+01+2.24801534E-02-7.87662916E-06+1.24282516E-09-7.29252729E-14 2
+-5.36784029E+04-9.00538236E+01+1.09304151E-01+7.75997760E-02-5.94124810E-05 3
++2.36744270E-08-3.89094338E-12-4.57495597E+04+3.32799795E+01 4
+NC5KET24 C 5O 3H 10 G 300.00 5000.00 1385.00 1
++2.25126387E+01+2.29495597E-02-8.02286486E-06+1.26389975E-09-7.40777420E-14 2
+-5.38122195E+04-8.63788737E+01+2.19333641E+00+7.04050260E-02-5.15856312E-05 3
++2.00741570E-08-3.28568948E-12-4.66368524E+04+2.29520202E+01 4
+NC5KET25 C 5O 3H 10 G 300.00 5000.00 1382.00 1
++2.19099644E+01+2.35018200E-02-8.22261497E-06+1.29606701E-09-7.59914647E-14 2
+-5.13242006E+04-8.27708903E+01+2.76270425E+00+6.58724877E-02-4.45144578E-05 3
++1.58213340E-08-2.38800145E-12-4.43093682E+04+2.11180678E+01 4
+NC5KET31 C 5O 3H 10 G 300.00 5000.00 1382.00 1
++2.17723599E+01+2.36116706E-02-8.25813864E-06+1.30129886E-09-7.62813000E-14 2
+-5.13543364E+04-8.16385880E+01+3.14481499E+00+6.64310592E-02-4.75232545E-05 3
++1.85573234E-08-3.11995924E-12-4.46228757E+04+1.89760116E+01 4
+NC5KET32 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.29536744E+01+2.26192649E-02-7.91922638E-06+1.24883440E-09-7.32467701E-14 2
+-5.36792159E+04-8.86117968E+01+7.24497110E-01+7.71622935E-02-6.10369902E-05 3
++2.55909432E-08-4.44696298E-12-4.60989830E+04+3.00522534E+01 4
+C5H10OH-1 H 11C 5O 1 G 300.00 5000.00 1371.00 1
++1.75642279E+01+2.33577469E-02-7.81503517E-06+1.19674654E-09-6.88114207E-14 2
+-2.11605652E+04-6.19821034E+01+9.51873649E-01+5.58286144E-02-2.87750953E-05 3
++5.54684921E-09+1.10578801E-14-1.48168651E+04+2.93877119E+01 4
+C5H10OH-2 H 11C 5O 1 G 300.00 5000.00 1390.00 1
++1.72742775E+01+2.39409708E-02-8.07388576E-06+1.24188426E-09-7.15926603E-14 2
+-2.31054055E+04-6.11106423E+01+4.68530877E-01+6.05595171E-02-3.75900684E-05 3
++1.16488887E-08-1.41506375E-12-1.70158316E+04+3.00652481E+01 4
+O2C5H10OH-1 H 11C 5O 3 G 300.00 5000.00 1395.00 1
++2.06059936E+01+2.61750874E-02-8.92270421E-06+1.38184638E-09-8.00235870E-14 2
+-4.07496333E+04-7.38943495E+01+2.70461132E+00+6.83289096E-02-4.77921008E-05 3
++1.81238720E-08-2.90871344E-12-3.44822614E+04+2.22673007E+01 4
+O2C5H10OH-2 H 11C 5O 3 G 300.00 5000.00 1398.00 1
++2.15259930E+01+2.54039694E-02-8.65952886E-06+1.34110440E-09-7.76663740E-14 2
+-4.32473477E+04-8.00796638E+01+1.89616952E+00+7.37918569E-02-5.55488679E-05 3
++2.24979959E-08-3.79045894E-12-3.66230283E+04+2.45460172E+01 4
+NC6H14 H 14C 6 G 300.00 5000.00 1390.00 1
++1.89634117E+01+3.04480204E-02-1.03794829E-05+1.60775457E-09-9.31269728E-14 2
+-3.01628739E+04-7.62839355E+01-9.69606184E-01+7.29085608E-02-4.38853919E-05 3
++1.32312807E-08-1.58437423E-12-2.27803862E+04+3.23069798E+01 4
+C6H13-1 H 13C 6 G 300.00 5000.00 1390.00 1
++1.85385470E+01+2.83107962E-02-9.65307246E-06+1.49547585E-09-8.66336064E-14 2
+-5.09299041E+03-7.04490943E+01-2.04871465E-01+6.83801272E-02-4.14447912E-05 3
++1.26155802E-08-1.53120058E-12+1.83280393E+03+3.16075093E+01 4
+C6H13-2 H 13C 6 G 300.00 5000.00 1380.00 1
++1.83687363E+01+2.80268110E-02-9.47032396E-06+1.45888527E-09-8.42002461E-14 2
+-6.46093974E+03-6.90934018E+01+2.29560149E-01+6.33327323E-02-3.24135431E-05 3
++6.46387687E-09-9.61420427E-14+5.25639156E+02+3.08006138E+01 4
+C6H13-3 H 13C 6 G 300.00 5000.00 1380.00 1
++1.83687363E+01+2.80268110E-02-9.47032396E-06+1.45888527E-09-8.42002461E-14 2
+-6.46093974E+03-6.90934018E+01+2.29560149E-01+6.33327323E-02-3.24135431E-05 3
++6.46387687E-09-9.61420427E-14+5.25639156E+02+3.08006138E+01 4
+C6H12-1 C 6H 12 G 300.00 5000.00 1392.00 1
++1.78337529E+01+2.67377658E-02-9.10036773E-06+1.40819768E-09-8.15124244E-14 2
+-1.42062860E+04-6.83818851E+01-1.35275205E+00+6.98655426E-02-4.59408022E-05 3
++1.56967343E-08-2.21296175E-12-7.34368617E+03+3.53120691E+01 4
+C6H12-2 C 6H 12 G 300.00 5000.00 1390.00 1
++1.73616148E+01+2.71634902E-02-9.25249439E-06+1.43247725E-09-8.29472521E-14 2
+-1.55509547E+04-6.61857343E+01-8.37810520E-01+6.64334712E-02-4.08801772E-05 3
++1.27558015E-08-1.60665165E-12-8.86347329E+03+3.27785200E+01 4
+C6H12-3 C 6H 12 G 300.00 5000.00 1392.00 1
++1.74392115E+01+2.72012909E-02-9.28739405E-06+1.44011755E-09-8.34782517E-14 2
+-1.55311520E+04-6.72316177E+01-1.74471739E+00+7.02087492E-02-4.60836866E-05 3
++1.58225609E-08-2.26113570E-12-8.63510107E+03+3.65273503E+01 4
+C6H111-3 H 11C 6 G 300.00 5000.00 1392.00 1
++1.74385677E+01+2.50390443E-02-8.53480314E-06+1.32209951E-09-7.65892920E-14 2
++2.88667463E+03-6.74868036E+01-1.68400759E+00+6.82608096E-02-4.55829418E-05 3
++1.56920477E-08-2.21118204E-12+9.68283708E+03+3.57445494E+01 4
+C6H111-4 H 11C 6 G 300.00 5000.00 1381.00 1
++1.72621286E+01+2.42963321E-02-8.18563605E-06+1.25871870E-09-7.25641092E-14 2
++9.47965134E+03-6.20229885E+01-6.66672195E-02+5.98990444E-02-3.38938138E-05 3
++8.58922359E-09-6.54329636E-13+1.59493460E+04+3.27147756E+01 4
+C6H111-5 H 11C 6 G 300.00 5000.00 1381.00 1
++1.72621286E+01+2.42963321E-02-8.18563605E-06+1.25871870E-09-7.25641092E-14 2
++9.47965134E+03-6.20229885E+01-6.66672195E-02+5.98990444E-02-3.38938138E-05 3
++8.58922359E-09-6.54329636E-13+1.59493460E+04+3.27147756E+01 4
+C6H111-6 H 11C 6 G 300.00 5000.00 1392.00 1
++1.74129892E+01+2.45984185E-02-8.37352752E-06+1.29588349E-09-7.50182758E-14 2
++1.08613574E+04-6.32669814E+01-6.17484828E-01+6.54674092E-02-4.36872486E-05 3
++1.51936842E-08-2.18414423E-12+1.72739396E+04+3.40544957E+01 4
+C6H112-4 H 11C 6 G 300.00 5000.00 1389.00 1
++1.69675593E+01+2.54635235E-02-8.68644122E-06+1.34629700E-09-7.80191162E-14 2
++1.54157079E+03-6.52971106E+01-1.16992307E+00+6.48326433E-02-4.05262795E-05 3
++1.27524726E-08-1.60498435E-12+8.16316429E+03+3.32148832E+01 4
+C6H112-5 H 11C 6 G 300.00 5000.00 1377.00 1
++1.67818090E+01+2.47356833E-02-8.34368101E-06+1.28402955E-09-7.40627547E-14 2
++8.13809667E+03-5.97810800E+01+4.63606027E-01+5.63992000E-02-2.87342339E-05 3
++5.59014813E-09-3.57957530E-14+1.44272349E+04+3.01101704E+01 4
+C6H112-6 H 11C 6 G 300.00 5000.00 1390.00 1
++1.69431052E+01+2.50224953E-02-8.52515322E-06+1.32009254E-09-7.64493285E-14 2
++9.51557475E+03-6.10792812E+01-1.06006806E-01+6.20508067E-02-3.86460745E-05 3
++1.22632255E-08-1.57992990E-12+1.57546498E+04+3.15418771E+01 4
+C6H113-1 H 11C 6 G 300.00 5000.00 1392.00 1
++1.70133131E+01+2.50666461E-02-8.56223877E-06+1.32807194E-09-7.69999372E-14 2
++9.53859681E+03-6.13920940E+01-9.77623834E-01+6.56664597E-02-4.36212067E-05 3
++1.51941737E-08-2.20544154E-12+1.59778322E+04+3.58177060E+01 4
+C6H11O1-3 H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.22920437E+01+2.24441825E-02-7.53070994E-06+1.15575450E-09-6.65675174E-14 2
+-9.30566725E+03-8.94778368E+01-2.54423388E+00+8.15467714E-02-6.04734167E-05 3
++2.23330400E-08-3.25460865E-12-9.39930947E+02+4.32736817E+01 4
+C6H11O2-4 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++2.17536453E+01+2.29477789E-02-7.71427788E-06+1.18540388E-09-6.83332601E-14 2
+-1.06296518E+04-8.69112396E+01-1.97396384E+00+7.78641252E-02-5.51856115E-05 3
++1.93459318E-08-2.65553891E-12-2.46698943E+03+4.04899267E+01 4
+C6H12O1-2 C 6H 12O 1 G 300.00 5000.00 1390.00 1
++1.98237675E+01+2.83076305E-02-9.79700725E-06+1.53290291E-09-8.94136512E-14 2
+-2.86156250E+04-7.97147353E+01-2.60027118E+00+8.25140327E-02-6.19868951E-05 3
++2.52986585E-08-4.35196287E-12-2.08474661E+04+4.03432783E+01 4
+C6H12O1-3 C 6H 12O 1 G 300.00 5000.00 1381.00 1
++2.00943213E+01+2.80281041E-02-9.61073019E-06+1.49563556E-09-8.69482515E-14 2
+-2.94623491E+04-8.29672080E+01-3.67890943E+00+8.18734230E-02-5.65067852E-05 3
++2.03434434E-08-3.05338137E-12-2.09644147E+04+4.54357891E+01 4
+C6H12O1-4 C 6H 12O 1 G 300.00 5000.00 1385.00 1
++1.81937451E+01+3.05132082E-02-1.05538621E-05+1.65081301E-09-9.62756740E-14 2
+-3.91861539E+04-7.28892157E+01-4.98759747E+00+8.36690743E-02-5.83931131E-05 3
++2.19383204E-08-3.51302429E-12-3.08768470E+04+5.22311756E+01 4
+C6H12O1-5 C 6H 12O 1 G 300.00 5000.00 1369.00 1
++2.18696492E+01+2.89644808E-02-1.02843212E-05+1.63714319E-09-9.66552991E-14 2
+-4.43407005E+04-1.01256960E+02-4.89881418E+00+8.17946607E-02-4.67358620E-05 3
++1.15229724E-08-8.38133459E-13-3.39937629E+04+4.60903286E+01 4
+C6H12O2-3 C 6H 12O 1 G 300.00 5000.00 1392.00 1
++2.04400807E+01+2.77275705E-02-9.58422558E-06+1.49835476E-09-8.73476387E-14 2
+-3.09571014E+04-8.33771795E+01-3.24328996E+00+8.73751851E-02-6.95553645E-05 3
++2.98574354E-08-5.31644810E-12-2.30127954E+04+4.25385508E+01 4
+C6H12O2-4 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.99501923E+01+2.88253331E-02-1.00217930E-05+1.57295064E-09-9.19508743E-14 2
+-3.15674310E+04-8.24846912E+01-3.75894138E+00+8.46044396E-02-6.18101303E-05 3
++2.42424607E-08-4.01441141E-12-2.32216305E+04+4.49636341E+01 4
+C6H12O2-5 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.86455632E+01+3.02705842E-02-1.05000692E-05+1.64542415E-09-9.60802316E-14 2
+-4.14905135E+04-7.56801716E+01-5.21438722E+00+8.67847640E-02-6.36083019E-05 3
++2.52625812E-08-4.25063214E-12-3.31071531E+04+5.24812152E+01 4
+C6H12O3-4 C 6H 12O 1 G 300.00 5000.00 1392.00 1
++2.04400807E+01+2.77275705E-02-9.58422558E-06+1.49835476E-09-8.73476387E-14 2
+-3.09571014E+04-8.33771795E+01-3.24328996E+00+8.73751851E-02-6.95553645E-05 3
++2.98574354E-08-5.31644810E-12-2.30127954E+04+4.25385508E+01 4
+C6H13O2H-1 H 14C 6O 2 G 300.00 5000.00 1388.00 1
++2.45609177E+01+3.07471465E-02-1.06611615E-05+1.67031752E-09-9.75224221E-14 2
+-4.21305786E+04-9.94217981E+01+4.28827381E-01+8.52153162E-02-5.81549717E-05 3
++2.08798889E-08-3.15227267E-12-3.34464197E+04+3.10485287E+01 4
+C6H13O2H-2 H 14C 6O 2 G 300.00 5000.00 1390.00 1
++2.53703550E+01+3.00455578E-02-1.04162589E-05+1.63180782E-09-9.52693153E-14 2
+-4.47221575E+04-1.04960674E+02-4.38853727E-01+9.10055843E-02-6.66797289E-05 3
++2.58472566E-08-4.18105592E-12-3.57293720E+04+3.35762294E+01 4
+C6H13O2H-3 H 14C 6O 2 G 300.00 5000.00 1390.00 1
++2.53703550E+01+3.00455578E-02-1.04162589E-05+1.63180782E-09-9.52693153E-14 2
+-4.47221575E+04-1.04960674E+02-4.38853727E-01+9.10055843E-02-6.66797289E-05 3
++2.58472566E-08-4.18105592E-12-3.57293720E+04+3.35762294E+01 4
+C6H13O2-1 H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.21224820E+01+3.05609710E-02-1.05650154E-05+1.65180006E-09-9.62963346E-14 2
+-2.42219722E+04-8.52560175E+01+1.24283154E+00+7.71349324E-02-5.11549390E-05 3
++1.83242032E-08-2.83058645E-12-1.65776531E+04+2.79518801E+01 4
+C6H13O2-2 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.28578467E+01+2.98910703E-02-1.03239520E-05+1.61313659E-09-9.40033512E-14 2
+-2.67682999E+04-9.03306141E+01+5.25316289E-01+8.23287654E-02-5.89792005E-05 3
++2.29248698E-08-3.78641136E-12-1.88843662E+04+2.97737842E+01 4
+C6H13O2-3 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.28578467E+01+2.98910703E-02-1.03239520E-05+1.61313659E-09-9.40033512E-14 2
+-2.67682999E+04-9.03306141E+01+5.25316289E-01+8.23287654E-02-5.89792005E-05 3
++2.29248698E-08-3.78641136E-12-1.88843662E+04+2.97737842E+01 4
+C6H12OOH1-2 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-3 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-4 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-5 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH2-1 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH2-3 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-4 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-5 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-6 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH3-1 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH3-2 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-4 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-5 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-6 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH1-2O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-3O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-4O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-5O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH2-1O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH2-3O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-4O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-5O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-6O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH3-1O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH3-2O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-4O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-5O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-6O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+NC6KET12 C 6H 12O 3 G 300.00 5000.00 1431.00 1
++1.76692622E+01+2.98180137E-02-9.43179071E-06+1.38583919E-09-7.72738616E-14 2
+-4.67026645E+04-4.87302952E+01+3.38273518E+00+6.51971936E-02-4.27848450E-05 3
++1.55394912E-08-2.34685173E-12-4.20179622E+04+2.71536226E+01 4
+NC6KET13 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET14 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET15 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET21 C 6H 12O 3 G 300.00 5000.00 1380.00 1
++2.48977627E+01+2.82099062E-02-9.85249224E-06+1.55108568E-09-9.08649219E-14 2
+-5.53731276E+04-9.63947605E+01+4.39221532E+00+7.22001454E-02-4.62914048E-05 3
++1.57162916E-08-2.30615915E-12-4.76675282E+04+1.54471571E+01 4
+NC6KET23 C 6H 12O 3 G 300.00 5000.00 1388.00 1
++2.63430506E+01+2.69861544E-02-9.43297025E-06+1.48601772E-09-8.70977117E-14 2
+-5.78013235E+04-1.05866313E+02-1.35622858E-01+8.98798610E-02-6.76978860E-05 3
++2.65961001E-08-4.32068174E-12-4.86358432E+04+3.60982792E+01 4
+NC6KET24 C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.56847445E+01+2.74782488E-02-9.58627575E-06+1.50810536E-09-8.83051336E-14 2
+-5.79176568E+04-1.02009176E+02+1.73253220E+00+8.37365688E-02-6.15876454E-05 3
++2.41188610E-08-3.97119823E-12-4.94924385E+04+2.67536906E+01 4
+NC6KET25 C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.56847445E+01+2.74782488E-02-9.58627575E-06+1.50810536E-09-8.83051336E-14 2
+-5.79176568E+04-1.02009176E+02+1.73253220E+00+8.37365688E-02-6.15876454E-05 3
++2.41188610E-08-3.97119823E-12-4.94924385E+04+2.67536906E+01 4
+NC6KET26 C 6H 12O 3 G 300.00 5000.00 1383.00 1
++2.50574425E+01+2.80369155E-02-9.78501982E-06+1.53978046E-09-9.01766406E-14 2
+-5.54174830E+04-9.82500096E+01+2.58934810E+00+7.78460026E-02-5.24513152E-05 3
++1.85689713E-08-2.78455147E-12-4.72061155E+04+2.36059697E+01 4
+NC6KET31 C 6H 12O 3 G 300.00 5000.00 1383.00 1
++2.49194999E+01+2.81507231E-02-9.82266516E-06+1.54541788E-09-9.04929606E-14 2
+-5.54463958E+04-9.71141228E+01+2.96919433E+00+7.84436519E-02-5.55361775E-05 3
++2.13589050E-08-3.52935948E-12-4.75201133E+04+2.14680944E+01 4
+NC6KET32 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.60960142E+01+2.71703309E-02-9.48970254E-06+1.49407399E-09-8.75315577E-14 2
+-5.77729470E+04-1.04067264E+02+5.64144594E-01+8.90854292E-02-6.89132035E-05 3
++2.83151935E-08-4.84139667E-12-4.89978587E+04+3.24785934E+01 4
+NC6KET34 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.60960142E+01+2.71703309E-02-9.48970254E-06+1.49407399E-09-8.75315577E-14 2
+-5.77729470E+04-1.04067264E+02+5.64144594E-01+8.90854292E-02-6.89132035E-05 3
++2.83151935E-08-4.84139667E-12-4.89978587E+04+3.24785934E+01 4
+NC6KET35 C 6H 12O 3 G 300.00 5000.00 1385.00 1
++2.55125763E+01+2.76136115E-02-9.62969344E-06+1.51447067E-09-8.86568371E-14 2
+-5.79323622E+04-1.00670318E+02+2.47172709E+00+8.26409167E-02-6.21054242E-05 3
++2.53063842E-08-4.36121469E-12-4.98579950E+04+2.29726065E+01 4
+NC6KET36 C 6H 12O 3 G 300.00 5000.00 1383.00 1
++2.49194999E+01+2.81507231E-02-9.82266516E-06+1.54541788E-09-9.04929606E-14 2
+-5.54463958E+04-9.71141228E+01+2.96919433E+00+7.84436519E-02-5.55361775E-05 3
++2.13589050E-08-3.52935948E-12-4.75201133E+04+2.14680944E+01 4
+C6H13O-1 H 13C 6O 1 G 300.00 5000.00 1391.00 1
++2.04847348E+01+2.93216823E-02-1.00270389E-05+1.55645319E-09-9.02886762E-14 2
+-2.24313312E+04-7.93220600E+01-2.75164321E-01+7.54319868E-02-4.89209083E-05 3
++1.64641255E-08-2.29328813E-12-1.49282944E+04+3.31091672E+01 4
+C6H13O-2 H 13C 6O 1 G 300.00 5000.00 1396.00 1
++2.10569902E+01+2.87986753E-02-9.83767726E-06+1.52590233E-09-8.84677299E-14 2
+-2.47452394E+04-8.27139640E+01-7.81250097E-01+7.97868977E-02-5.58105384E-05 3
++2.06261124E-08-3.17214287E-12-1.71172031E+04+3.46483507E+01 4
+C6H13O-3 H 13C 6O 1 G 300.00 5000.00 1396.00 1
++2.10569902E+01+2.87986753E-02-9.83767726E-06+1.52590233E-09-8.84677299E-14 2
+-2.47452394E+04-8.27139640E+01-7.81250097E-01+7.97868977E-02-5.58105384E-05 3
++2.06261124E-08-3.17214287E-12-1.71172031E+04+3.46483507E+01 4
+C6H12OH-1 H 13C 6O 1 G 300.00 5000.00 1374.00 1
++2.08351245E+01+2.75160242E-02-9.19212642E-06+1.40613856E-09-8.07910065E-14 2
+-2.54006048E+04-7.80442288E+01+7.30467050E-01+6.80553890E-02-3.71632261E-05 3
++8.47842648E-09-3.99384332E-13-1.78478288E+04+3.20923365E+01 4
+C6H12OH-2 H 13C 6O 1 G 300.00 5000.00 1390.00 1
++2.05388853E+01+2.82512269E-02-9.53280388E-06+1.46688381E-09-8.45889133E-14 2
+-2.73356962E+04-7.65278460E+01+2.03282633E-01+7.28935457E-02-4.59200360E-05 3
++1.45115010E-08-1.81146964E-12-2.00036461E+04+3.36751650E+01 4
+C6H12OH-3 H 13C 6O 1 G 300.00 5000.00 1390.00 1
++2.05388853E+01+2.82512269E-02-9.53280388E-06+1.46688381E-09-8.45889133E-14 2
+-2.73356962E+04-7.65278460E+01+2.03282633E-01+7.28935457E-02-4.59200360E-05 3
++1.45115010E-08-1.81146964E-12-2.00036461E+04+3.36751650E+01 4
+O2C6H12OH-1 H 13C 6O 3 G 300.00 5000.00 1395.00 1
++2.37745808E+01+3.06705946E-02-1.04669074E-05+1.62226472E-09-9.39991386E-14 2
+-4.49540557E+04-8.94862826E+01+2.52250523E+00+8.03363569E-02-5.57536493E-05 3
++2.08636775E-08-3.29895205E-12-3.74833645E+04+2.47960934E+01 4
+O2C6H12OH-2 H 13C 6O 3 G 300.00 5000.00 1397.00 1
++2.46632042E+01+2.99541594E-02-1.02286047E-05+1.58601587E-09-9.19277798E-14 2
+-4.74127816E+04-9.48234723E+01+1.59446253E+00+8.62865587E-02-6.42669164E-05 3
++2.57424275E-08-4.29953824E-12-3.95691578E+04+2.83298549E+01 4
+O2C6H12OH-3 H 13C 6O 3 G 300.00 5000.00 1397.00 1
++2.46632042E+01+2.99541594E-02-1.02286047E-05+1.58601587E-09-9.19277798E-14 2
+-4.74127816E+04-9.48234723E+01+1.59446253E+00+8.62865587E-02-6.42669164E-05 3
++2.57424275E-08-4.29953824E-12-3.95691578E+04+2.83298549E+01 4
+NC4H9CHO C 5O 1H 10 G 300.00 5000.00 1381.00 1
++1.67965163E+01+2.25684519E-02-7.67631588E-06+1.18769369E-09-6.87545554E-14 2
+-3.56826080E+04-6.09063312E+01+1.59663472E+00+5.43541416E-02-3.21020651E-05 3
++9.35773559E-09-1.06688932E-12-2.99841025E+04+2.21281498E+01 4
+NC4H9CO C 5H 9O 1 G 300.00 5000.00 1382.00 1
++1.61782939E+01+2.07991920E-02-7.11787892E-06+1.10559975E-09-6.41697187E-14 2
+-1.66537752E+04-5.58943579E+01+2.43530238E+00+4.93682376E-02-2.89883082E-05 3
++8.42863812E-09-9.68287172E-13-1.14675541E+04+1.92695879E+01 4
+C4H8CHO-1 C 5H 9O 1 G 300.00 5000.00 1382.00 1
++1.62387385E+01+2.06785503E-02-7.06216576E-06+1.09553003E-09-6.35307382E-14 2
+-1.05717872E+04-5.50446953E+01+2.41842832E+00+4.96272127E-02-2.94995966E-05 3
++8.76068653E-09-1.04084476E-12-5.38055616E+03+2.04609422E+01 4
+C4H8CHO-2 C 5H 9O 1 G 300.00 5000.00 2014.00 1
++1.41407667E+01+2.28357886E-02-7.96904210E-06+1.26040379E-09-7.42466834E-14 2
+-1.07960087E+04-4.22099585E+01+2.67005026E+00+4.58193092E-02-2.29410393E-05 3
++4.53761436E-09-1.26593772E-13-6.67002712E+03+2.04249941E+01 4
+C4H8CHO-3 C 5H 9O 1 G 300.00 5000.00 2014.00 1
++1.41407667E+01+2.28357886E-02-7.96904210E-06+1.26040379E-09-7.42466834E-14 2
+-1.07960087E+04-4.22099585E+01+2.67005026E+00+4.58193092E-02-2.29410393E-05 3
++4.53761436E-09-1.26593772E-13-6.67002712E+03+2.04249941E+01 4
+C4H8CHO-4 C 5H 9O 1 G 300.00 5000.00 1388.00 1
++1.65969615E+01+2.07196999E-02-7.14969212E-06+1.11659188E-09-6.50492039E-14 2
+-1.54539499E+04-6.03180192E+01+1.16494271E+00+5.43945461E-02-3.49000792E-05 3
++1.14582711E-08-1.54697375E-12-9.80619729E+03+2.34897110E+01 4
+AC3H5CHO C 4O 1H 6 G 300.00 5000.00 1390.00 1
++1.22811161E+01+1.50167397E-02-5.17605303E-06+8.07796972E-10-4.70379360E-14 2
+-1.50985283E+04-3.72055710E+01+1.59653121E-01+4.25761347E-02-2.91900593E-05 3
++1.04044255E-08-1.53682904E-12-1.07859656E+04+2.82087323E+01 4
+AC3H5CO H 5C 4O 1 G 300.00 5000.00 1389.00 1
++1.18646590E+01+1.28852832E-02-4.45460888E-06+6.96613045E-10-4.06215490E-14 2
++3.86344452E+03-3.32989999E+01+9.34300027E-01+3.77751824E-02-2.61384581E-05 3
++9.34041036E-09-1.37598294E-12+7.74223639E+03+2.56636231E+01 4
+C2H3CHCHO H 5C 4O 1 G 300.00 5000.00 1382.00 1
++1.24074059E+01+1.27319711E-02-4.47199396E-06+7.06819922E-10-4.15245536E-14 2
++1.71706585E+03-3.94039464E+01-8.77992983E-03+3.98630509E-02-2.66130850E-05 3
++8.74644509E-09-1.14128759E-12+6.22475038E+03+2.79591664E+01 4
+NC3H7COCH3 C 5O 1H 10 G 300.00 5000.00 1383.00 1
++1.61841564E+01+2.35245881E-02-8.09675055E-06+1.26230690E-09-7.34487839E-14 2
+-3.93375474E+04-5.82980615E+01+1.24037361E+00+5.42494047E-02-3.14825332E-05 3
++9.14492321E-09-1.07665566E-12-3.36276472E+04+2.36150068E+01 4
+NC3H7COCH2 C 5H 9O 1 G 300.00 5000.00 1389.00 1
++1.61502419E+01+2.14093466E-02-7.36059614E-06+1.14656816E-09-6.66712722E-14 2
+-1.76968561E+04-5.83864884E+01+9.58299271E-01+5.68162532E-02-3.99112781E-05 3
++1.52671514E-08-2.49221047E-12-1.23062238E+04+2.34112884E+01 4
+C3H6COCH3-1 C 5H 9O 1 G 300.00 5000.00 1381.00 1
++1.58052948E+01+2.12787457E-02-7.31842496E-06+1.14049355E-09-6.63446381E-14 2
+-1.42827587E+04-5.34016678E+01+2.00033269E+00+4.96074565E-02-2.87470600E-05 3
++8.26666830E-09-9.51074212E-13-9.01010845E+03+2.22761791E+01 4
+C3H6COCH3-2 C 5H 9O 1 G 300.00 5000.00 2017.00 1
++1.36994763E+01+2.33997602E-02-8.20838083E-06+1.30268499E-09-7.69151198E-14 2
+-1.44773517E+04-4.04820065E+01+2.20585184E+00+4.59605697E-02-2.23175553E-05 3
++4.03645332E-09-1.91585252E-14-1.02918446E+04+2.24556304E+01 4
+C3H6COCH3-3 C 5H 9O 1 G 300.00 5000.00 1389.00 1
++1.57976789E+01+2.17091054E-02-7.46487769E-06+1.16300253E-09-6.76366022E-14 2
+-1.89670489E+04-5.65047695E+01+6.36829393E-01+5.50047719E-02-3.53220538E-05 3
++1.18237807E-08-1.65550023E-12-1.34221768E+04+2.57839238E+01 4
+C2H5COC2H5 C 5O 1H 10 G 300.00 5000.00 1376.00 1
++1.67131896E+01+2.24769805E-02-7.61830162E-06+1.17658492E-09-6.80456888E-14 2
+-3.96020446E+04-6.15362004E+01+1.59094611E+00+5.45541559E-02-3.33407641E-05 3
++1.05931387E-08-1.42002914E-12-3.39282740E+04+2.09983080E+01 4
+C2H5COC2H4P C 5H 9O 1 G 300.00 5000.00 1376.00 1
++1.62000827E+01+2.05106647E-02-6.96977982E-06+1.07826230E-09-6.24324406E-14 2
+-1.45067221E+04-5.52272610E+01+2.39449461E+00+4.98731839E-02-3.07394387E-05 3
++9.95080260E-09-1.37570832E-12-9.32123954E+03+2.01162807E+01 4
+C2H5COC2H4S C 5H 9O 1 G 300.00 5000.00 1385.00 1
++1.61904470E+01+2.12169293E-02-7.35412919E-06+1.15187377E-09-6.72380864E-14 2
+-1.92650763E+04-5.84937265E+01+1.10728106E+00+5.48902970E-02-3.67695939E-05 3
++1.32867426E-08-2.06966690E-12-1.37435363E+04+2.32804315E+01 4
+C2H5COC2H3 C 5H 8O 1 G 300.00 5000.00 1387.00 1
++1.55916947E+01+1.96028302E-02-6.79737285E-06+1.06496015E-09-6.21767189E-14 2
+-2.55988351E+04-5.53302818E+01+4.89126432E-01+5.49951823E-02-3.96989101E-05 3
++1.55700373E-08-2.60070818E-12-2.02458499E+04+2.59411142E+01 4
+PC2H4COC2H3 C 5H 7O 1 G 300.00 5000.00 1404.00 1
++1.26732841E+01+2.02366192E-02-6.61089203E-06+9.93878746E-10-5.63457733E-14 2
++7.74011225E+02-3.54543594E+01+7.62539679E-01+5.35805655E-02-4.36465022E-05 3
++1.99232699E-08-3.73335386E-12+4.42260800E+03+2.66604751E+01 4
+SC2H4COC2H3 C 5H 7O 1 G 300.00 5000.00 1389.00 1
++1.58074213E+01+1.69721022E-02-5.91317608E-06+9.29449082E-10-5.43903161E-14 2
+-5.49230389E+03-5.69867205E+01-1.60114035E-01+5.57954071E-02-4.31353298E-05 3
++1.76457444E-08-2.99384261E-12-3.12060218E+01+2.83440609E+01 4
+NC7H16 H 16C 7 G 300.00 5000.00 1391.00 1
++2.22148969E+01+3.47675750E-02-1.18407129E-05+1.83298478E-09-1.06130266E-13 2
+-3.42760081E+04-9.23040196E+01-1.26836187E+00+8.54355820E-02-5.25346786E-05 3
++1.62945721E-08-2.02394925E-12-2.56586565E+04+3.53732912E+01 4
+C7H15-1 H 15C 7 G 300.00 5000.00 1390.00 1
++2.17940709E+01+3.26280243E-02-1.11138244E-05+1.72067148E-09-9.96366999E-14 2
+-9.20938221E+03-8.64954311E+01-4.99570406E-01+8.08826467E-02-5.00532754E-05 3
++1.56549308E-08-1.96616227E-12-1.04590223E+03+3.46564011E+01 4
+C7H15-2 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.52209653E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.37321506E+01 4
+C7H15-3 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.52209653E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.37321506E+01 4
+C7H15-4 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.59104470E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.30426690E+01 4
+C7H14-1 H 14C 7 G 300.00 5000.00 1392.00 1
++2.10898039E+01+3.10607878E-02-1.05644793E-05+1.63405780E-09-9.45598219E-14 2
+-1.83260065E+04-8.44391108E+01-1.67720549E+00+8.24611601E-02-5.46504108E-05 3
++1.87862303E-08-2.65737983E-12-1.02168601E+04+3.85068032E+01 4
+C7H14-2 H 14C 7 G 300.00 5000.00 1390.00 1
++2.06192047E+01+3.14852991E-02-1.07162057E-05+1.65827662E-09-9.59911785E-14 2
+-1.96713162E+04-8.22519387E+01-1.16533279E+00+7.90439806E-02-4.96101666E-05 3
++1.58569009E-08-2.05346433E-12-1.17362359E+04+3.59871070E+01 4
+C7H14-3 H 14C 7 G 300.00 5000.00 1392.00 1
++2.06822750E+01+3.15388629E-02-1.07571215E-05+1.66690260E-09-9.65810393E-14 2
+-1.96450604E+04-8.25235002E+01-2.03026994E+00+8.26324377E-02-5.45514471E-05 3
++1.87705822E-08-2.67571220E-12-1.15141029E+04+4.02316266E+01 4
+C7H131-3 H 13C 7 G 300.00 5000.00 1392.00 1
++2.06977799E+01+2.93585249E-02-9.99754351E-06+1.54773305E-09-8.96230815E-14 2
+-1.38049514E+03-8.35627043E+01-2.01707658E+00+8.08915559E-02-5.43383904E-05 3
++1.88066108E-08-2.66059253E-12+6.66507961E+03+3.89797235E+01 4
+C7H131-4 H 13C 7 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-5 H 13C 7 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-6 H 13C 7 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-7 H 13C 7 G 300.00 5000.00 1392.00 1
++2.06754243E+01+2.89092236E-02-9.83222685E-06+1.52079763E-09-8.80072255E-14 2
++6.59360193E+03-7.93564689E+01-8.56743712E-01+7.77195832E-02-5.19282134E-05 3
++1.80146398E-08-2.57342002E-12+1.42410455E+04+3.68476570E+01 4
+C7H132-4 H 13C 7 G 300.00 5000.00 1390.00 1
++2.02283723E+01+2.97818393E-02-1.01488201E-05+1.57187813E-09-9.10500113E-14 2
+-2.71119859E+03-8.13824175E+01-1.50555526E+00+7.74758940E-02-4.92982536E-05 3
++1.58761889E-08-2.05624822E-12+5.16084218E+03+3.64615905E+01 4
+C7H132-5 H 13C 7 G 300.00 5000.00 1379.00 1
++2.00522952E+01+2.90375466E-02-9.79903704E-06+1.50841035E-09-8.70206514E-14 2
++3.87993522E+03-7.59217636E+01+1.92192199E-01+6.87557473E-02-3.70909926E-05 3
++8.46587268E-09-4.34596882E-13+1.14153061E+04+3.30601003E+01 4
+C7H132-6 H 13C 7 G 300.00 5000.00 1379.00 1
++2.00522952E+01+2.90375466E-02-9.79903704E-06+1.50841035E-09-8.70206514E-14 2
++3.87993522E+03-7.59217636E+01+1.92192199E-01+6.87557473E-02-3.70909926E-05 3
++8.46587268E-09-4.34596882E-13+1.14153061E+04+3.30601003E+01 4
+C7H132-7 H 13C 7 G 300.00 5000.00 1390.00 1
++2.02038608E+01+2.93419067E-02-9.98810855E-06+1.54578179E-09-8.94871756E-14 2
++5.26290572E+03-7.71644519E+01-4.54324169E-01+7.47544837E-02-4.75103113E-05 3
++1.54448401E-08-2.04403706E-12+1.27541308E+04+3.48464580E+01 4
+C7H133-1 H 13C 7 G 300.00 5000.00 1392.00 1
++2.02595343E+01+2.94019199E-02-1.00312524E-05+1.55475333E-09-9.00969885E-14 2
++5.30761197E+03-7.73922048E+01-1.28816625E+00+7.82039641E-02-5.22552162E-05 3
++1.82427873E-08-2.64174309E-12+1.29867502E+04+3.89474921E+01 4
+C7H133-5 H 13C 7 G 300.00 5000.00 1392.00 1
++2.02852000E+01+2.98429179E-02-1.01927262E-05+1.58100534E-09-9.16702393E-14 2
+-2.66699385E+03-8.16175392E+01-2.36092106E+00+8.10269808E-02-5.41952361E-05 3
++1.87683817E-08-2.67470772E-12+5.39652999E+03+4.06609319E+01 4
+C7H133-6 H 13C 7 G 300.00 5000.00 1384.00 1
++2.00865333E+01+2.91250010E-02-9.85196347E-06+1.51881375E-09-8.77061669E-14 2
++3.93905131E+03-7.60211796E+01-7.98785387E-01+7.29104436E-02-4.28677284E-05 3
++1.18818540E-08-1.16315170E-12+1.16713874E+04+3.78868290E+01 4
+C7H133-7 H 13C 7 G 300.00 5000.00 1392.00 1
++2.02595343E+01+2.94019199E-02-1.00312524E-05+1.55475333E-09-9.00969885E-14 2
++5.30761197E+03-7.73922048E+01-1.28816625E+00+7.82039641E-02-5.22552162E-05 3
++1.82427873E-08-2.64174309E-12+1.29867502E+04+3.89474921E+01 4
+C7H13O1-3 H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.53923888E+01+2.67015459E-02-8.93162555E-06+1.36776722E-09-7.86546152E-14 2
+-1.31992107E+04-1.04485728E+02-2.97186844E+00+9.50411096E-02-7.14210586E-05 3
++2.71211636E-08-4.11210980E-12-3.69998874E+03+4.68736292E+01 4
+C7H13O2-4 H 13O 1C 7 G 300.00 5000.00 1389.00 1
++2.48888884E+01+2.71728188E-02-9.10354489E-06+1.39555380E-09-8.03103189E-14 2
+-1.45377934E+04-1.02121928E+02-2.38155227E+00+9.12476056E-02-6.58712429E-05 3
++2.39221243E-08-3.45819168E-12-5.23001862E+03+4.39988302E+01 4
+C7H13O3-5 H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.46614185E+01+2.71531970E-02-9.04971128E-06+1.38224414E-09-7.93365017E-14 2
+-1.43669878E+04-1.00409922E+02-4.04764701E+00+9.94962377E-02-7.94282837E-05 3
++3.26919568E-08-5.42561898E-12-5.01665573E+03+5.17524548E+01 4
+C7H15O2-1 H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.52656556E+01+3.50803587E-02-1.21178801E-05+1.89360806E-09-1.10354125E-13 2
+-2.81113392E+04-1.00704794E+02+1.20888552E+00+8.84061706E-02-5.79861260E-05 3
++2.03574689E-08-3.06460336E-12-1.92918765E+04+2.98117097E+01 4
+C7H15O2-2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.05407563E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.29433435E+01 4
+C7H15O2-3 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.05407563E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.29433435E+01 4
+C7H15O2-4 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.06097045E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.22538619E+01 4
+C7H15O2H-1 H 16O 2C 7 G 300.00 5000.00 1388.00 1
++2.77185802E+01+3.52624458E-02-1.22144164E-05+1.91237244E-09-1.11602067E-13 2
+-4.62267320E+04-1.14955409E+02+2.69178904E-01+9.71211877E-02-6.59765921E-05 3
++2.35449071E-08-3.52849016E-12-3.63451119E+04+3.34740655E+01 4
+C7H15O2H-2 H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20064377E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.67137899E+01 4
+C7H15O2H-3 H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20064377E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.67137899E+01 4
+C7H15O2H-4 H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20753858E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.60243083E+01 4
+C7H15O-1 H 15O 1C 7 G 300.00 5000.00 1391.00 1
++2.36489937E+01+3.38195865E-02-1.15717686E-05+1.79692111E-09-1.04265757E-13 2
+-2.65280214E+04-9.48882293E+01-4.59189934E-01+8.74464647E-02-5.69015135E-05 3
++1.92195908E-08-2.68753465E-12-1.78233113E+04+3.56475170E+01 4
+C7H15O-2 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.87360860E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.77738325E+01 4
+C7H15O-3 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.87360860E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.77738325E+01 4
+C7H15O-4 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.94255677E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.70843509E+01 4
+C7H14OOH1-2 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-3 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-4 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-5 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH2-1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH2-3 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-4 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-5 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-6 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH3-2 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-4 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-5 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-6 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-7 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH4-1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.15572787E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.46826176E+01 4
+C7H14OOH4-2 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10891460E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.26102671E+01 4
+C7H14OOH4-3 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10891460E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.26102671E+01 4
+C7H14OOH1-2O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-3O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-4O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-5O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH2-1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH2-3O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-4O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-5O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-6O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH3-2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-4O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-5O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-6O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-7O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH4-1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH4-2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH4-3O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14O1-2 H 14O 1C 7 G 300.00 5000.00 1394.00 1
++2.35147269E+01+3.21674287E-02-1.10803549E-05+1.72835023E-09-1.00601041E-13 2
+-3.33352322E+04-9.74257302E+01-3.65270763E+00+9.70546060E-02-7.14482297E-05 3
++2.77781632E-08-4.48128551E-12-2.39799254E+04+4.80801402E+01 4
+C7H14O1-3 H 14O 1C 7 G 300.00 5000.00 1395.00 1
++2.26918916E+01+3.32510472E-02-1.14457765E-05+1.78455535E-09-1.03841112E-13 2
+-3.41591419E+04-9.46346563E+01-5.50036450E+00+1.00155088E-01-7.29935857E-05 3
++2.79344270E-08-4.42245696E-12-2.44292287E+04+5.64768482E+01 4
+C7H14O1-4 H 14O 1C 7 G 300.00 5000.00 1398.00 1
++2.20530468E+01+3.40541230E-02-1.16873054E-05+1.81862696E-09-1.05680270E-13 2
+-4.41822326E+04-9.24677192E+01-6.56017746E+00+1.00694520E-01-7.10466567E-05 3
++2.59142094E-08-3.86849843E-12-3.42312152E+04+6.12629813E+01 4
+C7H14O1-5 H 14O 1C 7 G 300.00 5000.00 1394.00 1
++2.27681049E+01+3.42097414E-02-1.18172110E-05+1.84695360E-09-1.07658833E-13 2
+-4.68159558E+04-1.01833212E+02-7.14726345E+00+1.02606685E-01-7.12373028E-05 3
++2.52354809E-08-3.63484271E-12-3.62821855E+04+5.93513033E+01 4
+C7H14O2-3 H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.44676947E+01+3.13508938E-02-1.07981336E-05+1.68432141E-09-9.80409528E-14 2
+-3.58726267E+04-1.03164928E+02-4.35014619E+00+1.01435718E-01-7.70541034E-05 3
++3.06059134E-08-4.99101265E-12-2.61218264E+04+5.06557622E+01 4
+C7H14O2-4 H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.32692731E+01+3.25585391E-02-1.11624906E-05+1.73573658E-09-1.00813215E-13 2
+-3.64349664E+04-9.79457278E+01-5.39477206E+00+1.01846577E-01-7.60046236E-05 3
++2.96538020E-08-4.74854370E-12-2.67118295E+04+5.51731319E+01 4
+C7H14O2-5 H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.26707471E+01+3.34803352E-02-1.14785395E-05+1.78491428E-09-1.03671828E-13 2
+-4.65307741E+04-9.61517004E+01-7.24295043E+00+1.05687256E-01-7.87952366E-05 3
++3.05899677E-08-4.86103477E-12-3.63891669E+04+6.36525527E+01 4
+C7H14O2-6 H 14O 1C 7 G 300.00 5000.00 1396.00 1
++2.33833361E+01+3.36382957E-02-1.16092281E-05+1.81335441E-09-1.05656460E-13 2
+-4.91623271E+04-1.05500759E+02-7.82017858E+00+1.07564943E-01-7.89396005E-05 3
++2.98830915E-08-4.62102018E-12-3.84419001E+04+6.16931674E+01 4
+C7H14O3-4 H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.44676947E+01+3.13508938E-02-1.07981336E-05+1.68432141E-09-9.80409528E-14 2
+-3.58726267E+04-1.03164928E+02-4.35014619E+00+1.01435718E-01-7.70541034E-05 3
++3.06059134E-08-4.99101265E-12-2.61218264E+04+5.06557622E+01 4
+C7H14O3-5 H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.32692731E+01+3.25585391E-02-1.11624906E-05+1.73573658E-09-1.00813215E-13 2
+-3.64349664E+04-9.79457278E+01-5.39477206E+00+1.01846577E-01-7.60046236E-05 3
++2.96538020E-08-4.74854370E-12-2.67118295E+04+5.51731319E+01 4
+NC7KET12 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++3.14039860E+01+2.85485198E-02-9.69585695E-06+1.50017009E-09-8.68909491E-14 2
+-5.74044717E+04-1.31576613E+02-1.01240540E+00+1.08525210E-01-8.59990884E-05 3
++3.49272961E-08-5.73789850E-12-4.66314955E+04+4.09175088E+01 4
+NC7KET13 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET14 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET15 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET21 H 14O 3C 7 G 300.00 5000.00 1385.00 1
++3.07082732E+01+2.92465419E-02-9.95807579E-06+1.54315782E-09-8.94718150E-14 2
+-5.87615592E+04-1.27058904E+02-9.64230115E-01+1.08158991E-01-8.67775775E-05 3
++3.61807459E-08-6.14661796E-12-4.82404885E+04+4.13251144E+01 4
+NC7KET23 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++3.05981614E+01+2.97258855E-02-1.01972578E-05+1.58732411E-09-9.22942417E-14 2
+-6.09638920E+04-1.27837876E+02-1.45570671E+00+1.08772384E-01-8.59757426E-05 3
++3.51095315E-08-5.83436499E-12-5.02602030E+04+4.28185431E+01 4
+NC7KET24 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET25 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET26 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET31 H 14O 3C 7 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET32 H 14O 3C 7 G 300.00 5000.00 1385.00 1
++3.09165578E+01+2.91258044E-02-9.92861588E-06+1.53981152E-09-8.93271341E-14 2
+-6.11708347E+04-1.29264593E+02-9.94514343E-01+1.08762100E-01-8.76137740E-05 3
++3.66478182E-08-6.24244946E-12-5.05819016E+04+4.03445313E+01 4
+NC7KET34 H 14O 3C 7 G 300.00 5000.00 1385.00 1
++3.09165578E+01+2.91258044E-02-9.92861588E-06+1.53981152E-09-8.93271341E-14 2
+-6.11708347E+04-1.29264593E+02-9.94514343E-01+1.08762100E-01-8.76137740E-05 3
++3.66478182E-08-6.24244946E-12-5.05819016E+04+4.03445313E+01 4
+NC7KET35 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET36 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET37 H 14O 3C 7 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET41 H 14O 3C 7 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET42 H 14O 3C 7 G 300.00 5000.00 1386.00 1
++2.86572867E+01+3.21567908E-02-1.11961570E-05+1.75895000E-09-1.02891960E-13 2
+-6.20252988E+04-1.16135256E+02+2.32269738E+00+9.45160149E-02-6.99057179E-05 3
++2.79772916E-08-4.74244431E-12-5.27586830E+04+2.53458269E+01 4
+NC7KET43 H 14O 3C 7 G 300.00 5000.00 1386.00 1
++2.86572867E+01+3.21567908E-02-1.11961570E-05+1.75895000E-09-1.02891960E-13 2
+-6.20252988E+04-1.16135256E+02+2.32269738E+00+9.45160149E-02-6.99057179E-05 3
++2.79772916E-08-4.74244431E-12-5.27586830E+04+2.53458269E+01 4
+C7H14OH-1 H 15O 1C 7 G 300.00 5000.00 1376.00 1
++2.41265675E+01+3.16637088E-02-1.05671043E-05+1.61536314E-09-9.27674815E-14 2
+-2.95485867E+04-9.42377369E+01+4.58848577E-01+8.04446771E-02-4.57034176E-05 3
++1.14685073E-08-8.17742081E-13-2.07641264E+04+3.50408521E+01 4
+C7H14OH-2 H 15O 1C 7 G 300.00 5000.00 1390.00 1
++2.38036547E+01+3.25612587E-02-1.09916297E-05+1.69186772E-09-9.75842145E-14 2
+-3.14956023E+04-9.26354590E+01-6.17451781E-02+8.52264839E-02-5.42481745E-05 3
++1.73728776E-08-2.20758857E-12-2.29210338E+04+3.65945984E+01 4
+C7H14OH-3 H 15O 1C 7 G 300.00 5000.00 1390.00 1
++2.38036547E+01+3.25612587E-02-1.09916297E-05+1.69186772E-09-9.75842145E-14 2
+-3.14956023E+04-9.26354590E+01-6.17451781E-02+8.52264839E-02-5.42481745E-05 3
++1.73728776E-08-2.20758857E-12-2.29210338E+04+3.65945984E+01 4
+O2C7H14OH-1 H 15O 3C 7 G 300.00 5000.00 1395.00 1
++2.69431812E+01+3.51661203E-02-1.20111248E-05+1.86268617E-09-1.07974911E-13 2
+-4.90880404E+04-1.05078319E+02+2.34060326E+00+9.23428863E-02-6.37138459E-05 3
++2.36026902E-08-3.68902757E-12-4.04140401E+04+2.73239434E+01 4
+O2C7H14OH-2 H 15O 3C 7 G 300.00 5000.00 1396.00 1
++2.78711248E+01+3.44298705E-02-1.17690678E-05+1.82617826E-09-1.05901891E-13 2
+-5.15690694E+04-1.10657303E+02+1.43173891E+00+9.81681859E-02-7.19259300E-05 3
++2.82501348E-08-4.63278447E-12-4.25022305E+04+3.07742185E+01 4
+O2C7H14OH-3 H 15O 3C 7 G 300.00 5000.00 1396.00 1
++2.78711248E+01+3.44298705E-02-1.17690678E-05+1.82617826E-09-1.05901891E-13 2
+-5.15690694E+04-1.10657303E+02+1.43173891E+00+9.81681859E-02-7.19259300E-05 3
++2.82501348E-08-4.63278447E-12-4.25022305E+04+3.07742185E+01 4
+NC5H11CHO C 6H 12O 1 G 300.00 5000.00 1384.00 1
++1.98891043E+01+2.71869340E-02-9.27391515E-06+1.43744158E-09-8.33090761E-14 2
+-3.97523444E+04-7.60741671E+01+1.37517192E+00+6.65669689E-02-4.04423050E-05 3
++1.23836270E-08-1.52905857E-12-3.28740986E+04+2.48343934E+01 4
+NC5H11CO H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.94783812E+01+2.50466029E-02-8.54861346E-06+1.32557944E-09-7.68503296E-14 2
+-2.07923937E+04-7.21995578E+01+2.14479069E+00+6.17863563E-02-3.74134690E-05 3
++1.13283795E-08-1.36917698E-12-1.43451172E+04+2.23128045E+01 4
+C5H10CHO-1 H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.94701427E+01+2.50490154E-02-8.54838759E-06+1.32543025E-09-7.68369090E-14 2
+-1.46878327E+04-7.09736169E+01+2.15377345E+00+6.19684203E-02-3.78904723E-05 3
++1.17022892E-08-1.46276094E-12-8.26278569E+03+2.33779159E+01 4
+C5H10CHO-2 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-3 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-4 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-5 H 11C 6O 1 G 300.00 5000.00 1395.00 1
++2.02669246E+01+2.47914857E-02-8.54953747E-06+1.33477274E-09-7.77453379E-14 2
+-2.07889535E+04-7.93060747E+01-1.26556708E+00+7.36551339E-02-5.04263913E-05 3
++1.74734247E-08-2.44116609E-12-1.31838221E+04+3.68187516E+01 4
+C4H7CHO1-4 C 5H 8O 1 G 300.00 5000.00 1379.00 1
++1.59299730E+01+1.84432887E-02-6.21997362E-06+9.57537306E-10-5.52580126E-14 2
+-1.98311071E+04-5.51771737E+01+1.30688261E+00+5.07911858E-02-3.31509980E-05 3
++1.10391295E-08-1.49578391E-12-1.45595753E+04+2.40234219E+01 4
+C4H7CO1-4 C 5H 7O 1 G 300.00 5000.00 1378.00 1
++1.54637001E+01+1.64158685E-02-5.54672481E-06+8.55055295E-10-4.93928750E-14 2
+-8.55858619E+02-5.10065564E+01+2.09347005E+00+4.59484008E-02-3.00651488E-05 3
++9.99306335E-09-1.34709811E-12+3.96659370E+03+2.14210959E+01 4
+C4H6CHO1-43 C 5H 7O 1 G 300.00 5000.00 1382.00 1
++1.54178855E+01+1.71672536E-02-5.95214751E-06+9.32713368E-10-5.44705237E-14 2
+-2.75958461E+03-5.37764772E+01+1.13728412E+00+4.85677415E-02-3.21395914E-05 3
++1.08714802E-08-1.51624448E-12+2.44080824E+03+2.36917499E+01 4
+C4H6CHO1-44 C 5H 7O 1 G 300.00 5000.00 1390.00 1
++1.54721595E+01+1.70164879E-02-5.87513255E-06+9.17941359E-10-5.34945363E-14 2
++4.99122207E+02-5.31445505E+01+7.50037894E-01+5.14805714E-02-3.71071056E-05 3
++1.40009579E-08-2.19006703E-12+5.63542979E+03+2.59488465E+01 4
+NC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1384.00 1
++1.93396071E+01+2.80294129E-02-9.64367685E-06+1.50309259E-09-8.74431874E-14 2
+-4.34308987E+04-7.38144199E+01+1.04489132E+00+6.62869241E-02-3.94849702E-05 3
++1.19083422E-08-1.47157105E-12-3.65200950E+04+2.62126637E+01 4
+NC4H9COCH2 H 11C 6O 1 G 300.00 5000.00 1387.00 1
++1.98575871E+01+2.52406370E-02-8.72522623E-06+1.36422047E-09-7.95374883E-14 2
+-2.20531958E+04-7.71140999E+01+6.57240675E-01+6.91820222E-02-4.79956182E-05 3
++1.78114857E-08-2.80456388E-12-1.51806661E+04+2.65180216E+01 4
+C4H8COCH3-1 H 11C 6O 1 G 300.00 5000.00 1384.00 1
++1.89006813E+01+2.59288818E-02-8.93525037E-06+1.39416390E-09-8.11664734E-14 2
+-1.83595544E+04-6.85988070E+01+1.83079991E+00+6.16869509E-02-3.69733811E-05 3
++1.12792095E-08-1.42170745E-12-1.19106373E+04+2.47213709E+01 4
+C4H8COCH3-2 H 11C 6O 1 G 300.00 5000.00 1365.00 1
++1.92472410E+01+2.47394219E-02-8.34917480E-06+1.28606717E-09-7.42515416E-14 2
+-1.98964461E+04-7.00732125E+01+2.32442247E+00+5.60360489E-02-2.62897892E-05 3
++3.55349257E-09+4.62560403E-13-1.32203258E+04+2.36967419E+01 4
+C4H8COCH3-3 H 11C 6O 1 G 300.00 5000.00 1365.00 1
++1.92472410E+01+2.47394219E-02-8.34917480E-06+1.28606717E-09-7.42515416E-14 2
+-1.98964461E+04-7.00732125E+01+2.32442247E+00+5.60360489E-02-2.62897892E-05 3
++3.55349257E-09+4.62560403E-13-1.32203258E+04+2.36967419E+01 4
+C4H8COCH3-4 H 11C 6O 1 G 300.00 5000.00 1387.00 1
++1.94544114E+01+2.56278187E-02-8.86916402E-06+1.38780777E-09-8.09574343E-14 2
+-2.33097365E+04-7.49578200E+01+4.64936924E-01+6.68009275E-02-4.26203243E-05 3
++1.39372398E-08-1.88407814E-12-1.63159454E+04+2.82932537E+01 4
+C4H7OOH1-4 C 4O 2H 8 G 300.00 5000.00 1393.00 1
++1.66978343E+01+1.80578399E-02-6.22476839E-06+9.71479434E-10-5.65686551E-14 2
+-1.85344720E+04-5.76609547E+01+1.79804670E+00+5.23302551E-02-3.64638246E-05 3
++1.31971888E-08-1.97165993E-12-1.32846748E+04+2.25862038E+01 4
+C4H7O1-4 C 4H 7O 1 G 300.00 5000.00 1393.00 1
++1.31417783E+01+1.64166051E-02-5.56949199E-06+8.60114769E-10-4.97230006E-14 2
++1.67967537E+03-4.16160087E+01-2.92647947E-01+4.83149119E-02-3.48133220E-05 3
++1.31921468E-08-2.06485553E-12+6.29978883E+03+3.03629978E+01 4
+C5H9OOH1-4 C 5O 2H 10 G 300.00 5000.00 1397.00 1
++2.02179950E+01+2.21511744E-02-7.60711244E-06+1.18420679E-09-6.88331594E-14 2
+-2.44297406E+04-7.58287543E+01+7.67782330E-01+6.93519317E-02-5.21650213E-05 3
++2.06237355E-08-3.35844189E-12-1.78318101E+04+2.80373555E+01 4
+C5H9O1-4 C 5H 9O 1 G 300.00 5000.00 1398.00 1
++1.66809382E+01+2.07591828E-02-7.09289768E-06+1.10031617E-09-6.37992567E-14 2
+-4.67568455E+03-5.95056483E+01-8.53018802E-01+6.41880432E-02-4.91931508E-05 3
++2.00188214E-08-3.35963237E-12+1.19509504E+03+3.38333616E+01 4
+C5H9OOH1-5 C 5O 2H 10 G 300.00 5000.00 1393.00 1
++1.98575596E+01+2.25572969E-02-7.76951451E-06+1.21189491E-09-7.05404248E-14 2
+-2.26275637E+04-7.31968346E+01+1.65166493E+00+6.41855434E-02-4.42152137E-05 3
++1.58117718E-08-2.33469388E-12-1.61856012E+04+2.49485316E+01 4
+C5H9O1-5 C 5H 9O 1 G 300.00 5000.00 1394.00 1
++1.62564642E+01+2.10561226E-02-7.18323965E-06+1.11331434E-09-6.45162851E-14 2
+-2.41003213E+03-5.69404193E+01-6.08379884E-01+6.09139191E-02-4.36395120E-05 3
++1.64966933E-08-2.58694444E-12+3.42450558E+03+3.35104649E+01 4
+C6H11OOH1-4 C 6O 2H 12 G 300.00 5000.00 1397.00 1
++2.33879230E+01+2.66182814E-02-9.13553672E-06+1.42154300E-09-8.26043195E-14 2
+-2.85211117E+04-9.14098376E+01+6.08693415E-01+8.12533376E-02-5.99544347E-05 3
++2.32306975E-08-3.71302106E-12-2.07306507E+04+3.04600742E+01 4
+C6H11O1-4 H 11C 6O 1 G 300.00 5000.00 1397.00 1
++1.99304018E+01+2.50878998E-02-8.55881248E-06+1.32642733E-09-7.68596330E-14 2
+-8.79248519E+03-7.55242129E+01-1.17611678E+00+7.67820021E-02-5.79189808E-05 3
++2.31283510E-08-3.81018248E-12-1.67830272E+03+3.70214234E+01 4
+C6H11OOH1-5 C 6O 2H 12 G 300.00 5000.00 1397.00 1
++2.33879230E+01+2.66182814E-02-9.13553672E-06+1.42154300E-09-8.26043195E-14 2
+-2.85211117E+04-9.14098376E+01+6.08693415E-01+8.12533376E-02-5.99544347E-05 3
++2.32306975E-08-3.71302106E-12-2.07306507E+04+3.04600742E+01 4
+C6H11O1-5 H 11C 6O 1 G 300.00 5000.00 1397.00 1
++1.99304018E+01+2.50878998E-02-8.55881248E-06+1.32642733E-09-7.68596330E-14 2
+-8.79248519E+03-7.55242129E+01-1.17611678E+00+7.67820021E-02-5.79189808E-05 3
++2.31283510E-08-3.81018248E-12-1.67830272E+03+3.70214234E+01 4
+C5H91-1 C 5H 9 G 300.00 5000.00 1393.00 1
++1.44574345E+01+2.00072707E-02-6.81378895E-06+1.05474728E-09-6.10665440E-14 2
++2.00271156E+04-4.97833624E+01-1.68848603E-01+5.40218667E-02-3.74233337E-05 3
++1.37866431E-08-2.12590460E-12+2.51604761E+04+2.88873177E+01 4
+C4H7CHO1-1 C 5H 8O 1 G 300.00 5000.00 1393.00 1
++1.65147810E+01+1.86176385E-02-6.41423546E-06+1.00074444E-09-5.82623258E-14 2
+-2.45132738E+04-6.08626797E+01-8.96311479E-01+6.16639930E-02-4.81456435E-05 3
++1.98018086E-08-3.35010063E-12-1.86685108E+04+3.18639054E+01 4
+C4H7CO1-1 C 5H 7O 1 G 300.00 5000.00 1394.00 1
++1.59313061E+01+1.65161742E-02-5.67719248E-06+8.84327967E-10-5.14250392E-14 2
+-8.36367262E+03-5.69425937E+01+4.61430370E-01+5.62940371E-02-4.61644186E-05 3
++2.00772412E-08-3.57227308E-12-3.30150514E+03+2.49394919E+01 4
+C4H6CHO1-14 C 5H 7O 1 G 300.00 5000.00 1393.00 1
++1.60679011E+01+1.65205734E-02-5.70629506E-06+8.91819150E-10-5.19829213E-14 2
++5.61658536E+02-5.56047479E+01-9.37897914E-02+5.69789312E-02-4.55153233E-05 3
++1.91029934E-08-3.28540832E-12+5.93885740E+03+3.02936035E+01 4
+C4H6CHO1-13 C 5H 7O 1 G 300.00 5000.00 1388.00 1
++1.65957737E+01+1.64087623E-02-5.74432894E-06+9.05904509E-10-5.31381430E-14 2
+-7.68324332E+03-6.28091961E+01-8.68106067E-01+5.81156028E-02-4.44075851E-05 3
++1.74858999E-08-2.82132259E-12-1.68831658E+03+3.06969623E+01 4
+NC3H7COC2H5 C 6H 12O 1 G 300.00 5000.00 1378.00 1
++1.99627893E+01+2.68078451E-02-9.08527269E-06+1.40288330E-09-8.11176345E-14 2
+-4.37215719E+04-7.68702768E+01+1.28300489E+00+6.70849881E-02-4.19984982E-05 3
++1.36804265E-08-1.86987155E-12-3.68039430E+04+2.48054841E+01 4
+C3H6COC2H5-1 H 11C 6O 1 G 300.00 5000.00 1380.00 1
++1.92391148E+01+2.51659147E-02-8.57508083E-06+1.32847255E-09-7.69774808E-14 2
+-1.85404890E+04-7.00617026E+01+2.08958703E+00+6.24878115E-02-3.97257078E-05 3
++1.33752941E-08-1.92193795E-12-1.21992557E+04+2.32035207E+01 4
+C3H6COC2H5-2 H 11C 6O 1 G 300.00 5000.00 1369.00 1
++1.91083648E+01+2.49004438E-02-8.41246692E-06+1.29661383E-09-7.48882792E-14 2
+-1.99334270E+04-6.89565390E+01+2.83974334E+00+5.59471569E-02-2.81954889E-05 3
++5.56103221E-09-1.03163981E-13-1.35531569E+04+2.09458274E+01 4
+C3H6COC2H5-3 H 11C 6O 1 G 300.00 5000.00 1386.00 1
++1.93409644E+01+2.56927090E-02-8.88365538E-06+1.38917272E-09-8.09982255E-14 2
+-2.33416177E+04-7.39480531E+01+8.23830406E-01+6.74626897E-02-4.57147359E-05 3
++1.66707586E-08-2.60416740E-12-1.66263615E+04+2.62565174E+01 4
+NC3H7COC2H4P H 11C 6O 1 G 300.00 5000.00 1380.00 1
++1.92391148E+01+2.51659147E-02-8.57508083E-06+1.32847255E-09-7.69774808E-14 2
+-1.85404890E+04-7.00617026E+01+2.08958703E+00+6.24878115E-02-3.97257078E-05 3
++1.33752941E-08-1.92193795E-12-1.21992557E+04+2.32035207E+01 4
+NC3H7COC2H4S H 11C 6O 1 G 300.00 5000.00 1386.00 1
++1.93409644E+01+2.56927090E-02-8.88365538E-06+1.38917272E-09-8.09982255E-14 2
+-2.33416177E+04-7.39480531E+01+8.23830406E-01+6.74626897E-02-4.57147359E-05 3
++1.66707586E-08-2.60416740E-12-1.66263615E+04+2.62565174E+01 4
+CHCHCHO H 3O 1C 3 G 300.00 5000.00 1394.00 1
++1.02666402E+01+7.09612931E-03-2.47272731E-06+3.88739735E-10-2.27523413E-14 2
++1.51653800E+04-2.79927436E+01+1.20905268E+00+3.19125216E-02-2.93443761E-05 3
++1.38077482E-08-2.58328113E-12+1.79711576E+04+1.93989644E+01 4
+C6H101-3 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H101-4 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H101-5 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H102-4 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+ETES1 C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+MVOX C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+VTHF C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+EDHF C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+C6H111O2H-4 C 6O 2H 12 G 300.00 5000.00 1392.00 1
++2.41598315E+01+2.64141743E-02-9.16604821E-06+1.43689654E-09-8.39293545E-14 2
+-2.84539273E+04-9.67105334E+01-6.71334306E-01+8.72726302E-02-6.78106371E-05 3
++2.77977889E-08-4.70536630E-12-2.00372603E+04+3.57689620E+01 4
+C6H111O2H-5 C 6O 2H 12 G 300.00 5000.00 1392.00 1
++2.41598315E+01+2.64141743E-02-9.16604821E-06+1.43689654E-09-8.39293545E-14 2
+-2.84539273E+04-9.67105334E+01-6.71334306E-01+8.72726302E-02-6.78106371E-05 3
++2.77977889E-08-4.70536630E-12-2.00372603E+04+3.57689620E+01 4
+C6H111O2H-6 C 6O 2H 12 G 300.00 5000.00 1389.00 1
++2.34008570E+01+2.70661621E-02-9.39242872E-06+1.47237442E-09-8.60004431E-14 2
+-2.61302043E+04-9.14219690E+01+3.11486807E-01+8.10135140E-02-5.85042940E-05 3
++2.22954450E-08-3.54988216E-12-1.80250145E+04+3.27265962E+01 4
+C6H112O2H-4 C 6O 2H 12 G 300.00 5000.00 1390.00 1
++2.38605691E+01+2.67263131E-02-9.28634310E-06+1.45697133E-09-8.51501903E-14 2
+-2.93238663E+04-9.57046301E+01-7.53695219E-01+8.73573674E-02-6.83958497E-05 3
++2.84775641E-08-4.91362774E-12-2.09736202E+04+3.55730105E+01 4
+C6H112O2H-5 C 6O 2H 12 G 300.00 5000.00 1390.00 1
++2.36804698E+01+2.68319366E-02-9.31237637E-06+1.45995807E-09-8.52807436E-14 2
+-2.97893970E+04-9.44537469E+01-9.77786271E-02+8.36152385E-02-6.24511953E-05 3
++2.46774273E-08-4.05915948E-12-2.15666972E+04+3.29610143E+01 4
+C6H112O2H-6 C 6O 2H 12 G 300.00 5000.00 1388.00 1
++2.29488499E+01+2.74438680E-02-9.52133333E-06+1.49235013E-09-8.71576434E-14 2
+-2.74756907E+04-8.93200393E+01+8.02060614E-01+7.77041021E-02-5.36127485E-05 3
++1.94323872E-08-2.95453196E-12-1.95415277E+04+3.03063194E+01 4
+C6H113O2H-2 C 6O 2H 12 G 300.00 5000.00 1391.00 1
++2.39772718E+01+2.66035589E-02-9.23895225E-06+1.44906345E-09-8.46695750E-14 2
+-2.92031812E+04-9.62904636E+01-1.26739750E+00+8.91469732E-02-7.04153407E-05 3
++2.94208766E-08-5.07121703E-12-2.06975087E+04+3.81839670E+01 4
+C6H113O2H-1 C 6O 2H 12 G 300.00 5000.00 1387.00 1
++2.36308952E+01+2.66617050E-02-9.30222928E-06+1.46355920E-09-8.57041772E-14 2
+-2.76274166E+04-9.32063164E+01-1.31133949E-01+8.13310493E-02-5.80494135E-05 3
++2.16450938E-08-3.36477854E-12-1.92042452E+04+3.48562905E+01 4
+NC6D1KET34 C 6O 3H 10 G 300.00 5000.00 1390.00 1
++2.57983094E+01+2.28116397E-02-8.00057802E-06+1.26322558E-09-7.41574060E-14 2
+-4.35413400E+04-1.03594800E+02-8.79937693E-01+9.06618501E-02-7.60486297E-05 3
++3.30211493E-08-5.81958510E-12-3.47639182E+04+3.78353180E+01 4
+NC6D1KET35 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.52251243E+01+2.32468040E-02-8.13790138E-06+1.28321972E-09-7.52598084E-14 2
+-4.39222295E+04-9.98386061E+01+8.59032690E-01+8.49726292E-02-7.03646845E-05 3
++3.07049154E-08-5.49124822E-12-3.58150700E+04+2.95315219E+01 4
+NC6D1KET36 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.46079059E+01+2.38193350E-02-8.34639116E-06+1.31693263E-09-7.72708520E-14 2
+-4.16806989E+04-9.54262876E+01+1.64544868E+00+7.94444833E-02-6.17833446E-05 3
++2.55121988E-08-4.38629485E-12-3.37709382E+04+2.74198430E+01 4
+NC6D1KET43 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.48134658E+01+2.36679402E-02-8.29973712E-06+1.31026548E-09-7.69086532E-14 2
+-4.14850247E+04-9.64574729E+01+1.07756600E+00+8.15204297E-02-6.41161371E-05 3
++2.66231177E-08-4.58072562E-12-3.33626466E+04+3.03700873E+01 4
+NC6D1KET45 C 6O 3H 10 G 300.00 5000.00 1390.00 1
++2.51943125E+01+2.33015181E-02-8.16424277E-06+1.28820260E-09-7.55881804E-14 2
+-4.09300018E+04-9.89201697E+01-1.36114624E+00+9.04259145E-02-7.50375115E-05 3
++3.23037734E-08-5.65763026E-12-3.21505116E+04+4.20073825E+01 4
+NC6D1KET46 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.40046171E+01+2.43109061E-02-8.51114087E-06+1.34213064E-09-7.87165658E-14 2
+-3.90699585E+04-9.07535094E+01+1.20615803E+00+7.90495420E-02-6.05529017E-05 3
++2.46670926E-08-4.19757300E-12-3.11658629E+04+3.13918111E+01 4
+NC6D1KET53 C 6O 3H 10 G 300.00 5000.00 1387.00 1
++2.47812957E+01+2.36294207E-02-8.27119017E-06+1.30416539E-09-7.64852162E-14 2
+-4.13548778E+04-9.64100793E+01+1.24868954E+00+8.16249635E-02-6.49725180E-05 3
++2.73590198E-08-4.76412072E-12-3.33627981E+04+2.91095742E+01 4
+NC6D1KET54 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.50907419E+01+2.33708456E-02-8.18394462E-06+1.29083225E-09-7.57230478E-14 2
+-4.13898543E+04-9.84066457E+01-2.01058658E-01+8.54688737E-02-6.79446523E-05 3
++2.80458376E-08-4.74057650E-12-3.28539887E+04+3.64494167E+01 4
+NC6D1KET56 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.37618794E+01+2.45055834E-02-8.57519967E-06+1.35176226E-09-7.92610624E-14 2
+-3.85143810E+04-8.93197157E+01+4.01869706E+00+6.91654483E-02-4.83997299E-05 3
++1.82279228E-08-2.94649828E-12-3.13379792E+04+1.75263729E+01 4
+NC6D1KET63 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.50462110E+01+2.33305307E-02-8.15110144E-06+1.28360076E-09-7.52125954E-14 2
+-3.75927321E+04-9.71357410E+01+1.70060879E+00+8.15598144E-02-6.58032934E-05 3
++2.80678696E-08-4.93297720E-12-2.97393488E+04+2.71300311E+01 4
+NC6D1KET64 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.47760251E+01+2.35073590E-02-8.20009414E-06+1.28997010E-09-7.55308784E-14 2
+-3.80021544E+04-9.53273681E+01+2.15202567E+00+7.90190793E-02-6.20735181E-05 3
++2.58128239E-08-4.44363386E-12-3.03069622E+04+2.54105115E+01 4
+NC6D1KET65 C 6O 3H 10 G 300.00 5000.00 1391.00 1
++2.53952898E+01+2.30473334E-02-8.05738668E-06+1.26947036E-09-7.44126533E-14 2
+-3.76433550E+04-9.93640862E+01-1.48870749E-01+8.73133093E-02-7.16904116E-05 3
++3.05825140E-08-5.31542687E-12-2.91739013E+04+3.62934571E+01 4
+NC6D2KET45 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.53327329E+01+2.32200480E-02-8.14427749E-06+1.28594516E-09-7.54918410E-14 2
+-4.48853627E+04-1.01425531E+02-3.44302412E-01+8.71469094E-02-7.08606252E-05 3
++2.99912727E-08-5.19127430E-12-3.62870364E+04+3.52066066E+01 4
+NC6D2KET46 C 6O 3H 10 G 300.00 5000.00 1438.00 1
++1.47972337E+01+2.63787617E-02-7.98793527E-06+1.13433394E-09-6.15921181E-14 2
+-3.40290783E+04-4.11916841E+01+2.04214382E+00+6.74637140E-02-5.76467507E-05 3
++2.75403606E-08-5.24364424E-12-3.07999075E+04+2.31801511E+01 4
+NC6D2KET54 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.35243117E+01+2.47724587E-02-8.68258702E-06+1.37019527E-09-8.04043024E-14 2
+-3.94701680E+04-8.86810443E+01+3.12404345E+00+6.95391264E-02-4.65433054E-05 3
++1.62779600E-08-2.41180094E-12-3.19606832E+04+2.21368632E+01 4
+NC6D2KET56 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.35243117E+01+2.47724587E-02-8.68258702E-06+1.37019527E-09-8.04043024E-14 2
+-3.94701680E+04-8.86810443E+01+3.12404345E+00+6.95391264E-02-4.65433054E-05 3
++1.62779600E-08-2.41180094E-12-3.19606832E+04+2.21368632E+01 4
+NC6D2KET64 C 6O 3H 10 G 300.00 5000.00 1387.00 1
++2.45802947E+01+2.37403050E-02-8.29551027E-06+1.30645583E-09-7.65559206E-14 2
+-3.89364374E+04-9.49639669E+01+2.24971473E+00+7.79953716E-02-6.05507316E-05 3
++2.50027046E-08-4.29772077E-12-3.12647870E+04+2.44367570E+01 4
+NC6D2KET65 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.49192976E+01+2.34620561E-02-8.20268998E-06+1.29237940E-09-7.57556255E-14 2
+-3.89849838E+04-9.71351584E+01+4.55809320E-01+8.34466520E-02-6.59538465E-05 3
++2.72040849E-08-4.60895493E-12-3.07073699E+04+3.33547639E+01 4
+NC6D3KET12 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.49365998E+01+2.35127695E-02-8.23530308E-06+1.29909614E-09-7.62141294E-14 2
+-3.90472215E+04-9.70899266E+01+4.63076404E-01+8.25462584E-02-6.39189002E-05 3
++2.57434455E-08-4.26673272E-12-3.06739450E+04+3.37910731E+01 4
+NC6D3KET21 C 6O 3H 10 G 300.00 5000.00 1383.00 1
++2.42955905E+01+2.41356158E-02-8.46727186E-06+1.33706691E-09-7.84956336E-14 2
+-4.13270251E+04-9.42415282E+01+2.56357701E+00+7.40872652E-02-5.34164996E-05 3
++2.03460526E-08-3.26583985E-12-3.35688920E+04+2.29823962E+01 4
+C6H112O2-1 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.18247003E+01+2.61477191E-02-9.04382408E-06+1.41447358E-09-8.24824437E-14 2
+-8.68620099E+03-8.26421791E+01+1.72342389E-01+7.96365546E-02-6.17325710E-05 3
++2.58868673E-08-4.53504168E-12-1.31317497E+03+3.28552164E+01 4
+C6H111O2-3 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.18247003E+01+2.61477191E-02-9.04382408E-06+1.41447358E-09-8.24824437E-14 2
+-8.68620099E+03-8.26421791E+01+1.72342389E-01+7.96365546E-02-6.17325710E-05 3
++2.58868673E-08-4.53504168E-12-1.31317497E+03+3.28552164E+01 4
+C6H111O2-4 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.16615043E+01+2.62498570E-02-9.07088524E-06+1.41783876E-09-8.26433939E-14 2
+-9.15007553E+03-8.14781346E+01+2.77529293E-01+7.86289898E-02-6.01042683E-05 3
++2.48490451E-08-4.30167349E-12-1.83062566E+03+3.27344165E+01 4
+C6H111O2-5 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.16615043E+01+2.62498570E-02-9.07088524E-06+1.41783876E-09-8.26433939E-14 2
+-9.15007553E+03-8.14781346E+01+2.77529293E-01+7.86289898E-02-6.01042683E-05 3
++2.48490451E-08-4.30167349E-12-1.83062566E+03+3.27344165E+01 4
+C6H111O2-6 H 11C 6O 2 G 300.00 5000.00 1388.00 1
++2.09441967E+01+2.68874173E-02-9.29709904E-06+1.45380527E-09-8.47641892E-14 2
+-6.85709066E+03-7.64620284E+01+1.27980301E+00+7.21524639E-02-5.02889230E-05 3
++1.89682658E-08-3.05539055E-12+1.81691439E+02+2.96253760E+01 4
+C6H112O2-4 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.13545199E+01+2.65647098E-02-9.19147506E-06+1.43790977E-09-8.38625367E-14 2
+-1.00291675E+04-8.04485096E+01+7.09241510E-01+7.61167882E-02-5.65441627E-05 3
++2.28626264E-08-3.90914815E-12-2.83646907E+03+3.02206800E+01 4
+C6H112O2-5 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.11830704E+01+2.66691844E-02-9.21827673E-06+1.44112100E-09-8.40098554E-14 2
+-1.04865774E+04-7.92293261E+01+8.61603309E-01+7.49248603E-02-5.46729053E-05 3
++2.16848199E-08-3.64611710E-12-3.36167444E+03+2.98764440E+01 4
+C6H112O2-6 H 11C 6O 2 G 300.00 5000.00 1387.00 1
++2.04743827E+01+2.73032958E-02-9.44419009E-06+1.47713579E-09-8.61373934E-14 2
+-8.19960133E+03-7.42677120E+01+1.83281227E+00+6.85685322E-02-4.50094020E-05 3
++1.58888653E-08-2.41748671E-12-1.34425559E+03+2.69157982E+01 4
+C6H113O2-1 H 11C 6O 2 G 300.00 5000.00 1385.00 1
++2.03167587E+01+2.74247868E-02-9.48325138E-06+1.48292781E-09-8.64620193E-14 2
+-8.09917620E+03-7.35400368E+01+2.82240306E+00+6.44791002E-02-3.94590946E-05 3
++1.27102060E-08-1.75876839E-12-1.48617135E+03+2.20302771E+01 4
+C6H113O2-2 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.15210498E+01+2.64199917E-02-9.14096761E-06+1.42997611E-09-8.33989347E-14 2
+-9.92850970E+03-8.13291479E+01-3.02934052E-01+8.03127668E-02-6.22466191E-05 3
++2.61216993E-08-4.58234209E-12-2.49048769E+03+3.50985318E+01 4
+C6H101OOH3-4 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.35865321E+01+2.39558178E-02-8.23516169E-06+1.28335285E-09-7.46678485E-14 2
+-4.17838818E+03-9.04585438E+01+9.52498186E-02+8.03618403E-02-6.06668109E-05 3
++2.37467937E-08-3.80814694E-12+3.83105496E+03+3.51713411E+01 4
+C6H101OOH3-5 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.35865321E+01+2.39558178E-02-8.23516169E-06+1.28335285E-09-7.46678485E-14 2
+-4.17838818E+03-9.04585438E+01+9.52498186E-02+8.03618403E-02-6.06668109E-05 3
++2.37467937E-08-3.80814694E-12+3.83105496E+03+3.51713411E+01 4
+C6H101OOH3-6 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.38720815E+01+2.41660837E-02-8.40279243E-06+1.31902436E-09-7.71170592E-14 2
+-2.89705656E+03-9.25485494E+01-4.56627752E-02+8.40204422E-02-6.75654515E-05 3
++2.86242771E-08-4.98055850E-12+5.09507304E+03+3.46344213E+01 4
+C6H101OOH4-3 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37243515E+01+2.47401711E-02-8.60684147E-06+1.35155980E-09-7.90410535E-14 2
+-1.13413060E+04-9.55723076E+01-9.10297866E-01+8.52583006E-02-6.69192636E-05 3
++2.74969957E-08-4.64326012E-12-3.02468665E+03+3.57766300E+01 4
+C6H101OOH4-5 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.32488323E+01+2.42528100E-02-8.33845278E-06+1.29945460E-09-7.56011681E-14 2
+-4.56843145E+03-8.82821109E+01+6.31714497E-01+7.74646638E-02-5.64802642E-05 3
++2.12731200E-08-3.28310530E-12+3.24910406E+03+3.30550855E+01 4
+C6H101OOH4-6 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37355148E+01+2.42568015E-02-8.42850745E-06+1.32245876E-09-7.72936360E-14 2
+-3.38002357E+03-9.15558475E+01+1.32873065E-01+8.25961968E-02-6.51872823E-05 3
++2.70764415E-08-4.62921664E-12+4.56860069E+03+3.41908856E+01 4
+C6H101OOH5-3 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37243515E+01+2.47401711E-02-8.60684147E-06+1.35155980E-09-7.90410535E-14 2
+-1.13413060E+04-9.55723076E+01-9.10297866E-01+8.52583006E-02-6.69192636E-05 3
++2.74969957E-08-4.64326012E-12-3.02468665E+03+3.57766300E+01 4
+C6H101OOH5-4 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.32488323E+01+2.42528100E-02-8.33845278E-06+1.29945460E-09-7.56011681E-14 2
+-4.56843145E+03-8.82821109E+01+6.31714497E-01+7.74646638E-02-5.64802642E-05 3
++2.12731200E-08-3.28310530E-12+3.24910406E+03+3.30550855E+01 4
+C6H101OOH5-6 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37355148E+01+2.42568015E-02-8.42850745E-06+1.32245876E-09-7.72936360E-14 2
+-3.37882072E+03-9.15558475E+01+1.32873065E-01+8.25961968E-02-6.51872823E-05 3
++2.70764415E-08-4.62921664E-12+4.56980353E+03+3.41908856E+01 4
+C6H101OOH6-3 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.30069994E+01+2.53677322E-02-8.82729766E-06+1.38638017E-09-8.10848797E-14 2
+-9.03881549E+03-9.05352219E+01-6.08388291E-04+7.93277090E-02-5.80291325E-05 3
++2.22216224E-08-3.53369351E-12-1.00198828E+03+3.30695740E+01 4
+C6H101OOH6-4 H 11C 6O 2 G 300.00 5000.00 1380.00 1
++2.31648127E+01+2.39156984E-02-8.14392966E-06+1.26186543E-09-7.31481869E-14 2
+-2.51231039E+03-8.68162634E+01+1.12488828E+00+7.30055728E-02-4.89258020E-05 3
++1.62744046E-08-2.13927970E-12+5.34182053E+03+3.23392943E+01 4
+C6H101OOH6-5 H 11C 6O 2 G 300.00 5000.00 1380.00 1
++2.31648127E+01+2.39156984E-02-8.14392966E-06+1.26186543E-09-7.31481869E-14 2
+-2.51231039E+03-8.68162634E+01+1.12488828E+00+7.30055728E-02-4.89258020E-05 3
++1.62744046E-08-2.13927970E-12+5.34182053E+03+3.23392943E+01 4
+C6H101OOH3-4O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH3-5O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH3-6O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.77417137E+01+2.57731343E-02-9.00775991E-06+1.41883954E-09-8.31503458E-14 2
+-2.07971148E+04-1.08180759E+02+1.21543622E+00+9.32821348E-02-7.74588187E-05 3
++3.39724888E-08-6.10567238E-12-1.19955805E+04+3.25594137E+01 4
+C6H101OOH4-3O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH4-5O2 H 11C 6O 4 G 300.00 5000.00 1391.00 1
++2.82642586E+01+2.52451223E-02-8.80643745E-06+1.38537282E-09-8.11177141E-14 2
+-2.34838646E+04-1.11717074E+02+1.29384625E+00+9.53423407E-02-8.12997536E-05 3
++3.63927238E-08-6.62212513E-12-1.46985283E+04+3.08320369E+01 4
+C6H101OOH4-6O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH5-3O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH5-4O2 H 11C 6O 4 G 300.00 5000.00 1391.00 1
++2.82642586E+01+2.52451223E-02-8.80643745E-06+1.38537282E-09-8.11177141E-14 2
+-2.34838646E+04-1.11717074E+02+1.29384625E+00+9.53423407E-02-8.12997536E-05 3
++3.63927238E-08-6.62212513E-12-1.46985283E+04+3.08320369E+01 4
+C6H101OOH5-6O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH6-3O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.77417137E+01+2.57731343E-02-9.00775991E-06+1.41883954E-09-8.31503458E-14 2
+-2.07971148E+04-1.08180759E+02+1.21543622E+00+9.32821348E-02-7.74588187E-05 3
++3.39724888E-08-6.10567238E-12-1.19955805E+04+3.25594137E+01 4
+C6H101OOH6-4O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH6-5O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H102OOH5-4 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.32752685E+01+2.51409461E-02-8.74931155E-06+1.37423314E-09-8.03786732E-14 2
+-1.26933360E+04-9.35010174E+01-4.02203129E-01+8.18778797E-02-6.19069792E-05 3
++2.45652582E-08-4.03514422E-12-4.54420456E+03+3.32729123E+01 4
+C6H103OOH1-2 H 11C 6O 2 G 300.00 5000.00 1386.00 1
++2.23753433E+01+2.59192338E-02-9.02065197E-06+1.41686858E-09-8.28719949E-14 2
+-1.02813685E+04-8.75969572E+01+1.54280561E+00+7.16314208E-02-4.71541806E-05 3
++1.59384080E-08-2.23271419E-12-2.66822299E+03+2.54748806E+01 4
+C6H102OOH4-5 H 11C 6O 2 G 300.00 5000.00 1386.00 1
++2.32398122E+01+2.41563455E-02-8.28585057E-06+1.28951635E-09-7.49613636E-14 2
+-5.56292849E+03-8.89426926E+01+5.82697759E-01+7.69938922E-02-5.55576336E-05 3
++2.06590703E-08-3.14739197E-12+2.31656586E+03+3.27785094E+01 4
+C6H102OOH4-6 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.34491400E+01+2.45596126E-02-8.54602502E-06+1.34215244E-09-7.84946077E-14 2
+-4.25919499E+03-8.99400439E+01+4.98679078E-02+8.26265919E-02-6.56231370E-05 3
++2.76373931E-08-4.80771067E-12+3.63374932E+03+3.47019993E+01 4
+C6H102OOH5-6 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.32562311E+01+2.46734129E-02-8.57419421E-06+1.34539437E-09-7.86366380E-14 2
+-4.71495052E+03-8.86067004E+01+7.03137830E-01+7.89566248E-02-5.98556399E-05 3
++2.39724683E-08-3.98633224E-12+3.03956769E+03+3.20891098E+01 4
+C6H102OOH6-4 H 11C 6O 2 G 300.00 5000.00 1385.00 1
++2.30773623E+01+2.50917259E-02-8.77976000E-06+1.38404736E-09-8.11587377E-14 2
+-1.06363474E+04-9.14736269E+01+5.46105318E-01+7.55506610E-02-5.20172914E-05 3
++1.83934696E-08-2.69131116E-12-2.52256179E+03+3.04271050E+01 4
+C6H102OOH6-5 H 11C 6O 2 G 300.00 5000.00 1375.00 1
++2.28661984E+01+2.40568017E-02-8.17267637E-06+1.26464679E-09-7.32521694E-14 2
+-3.92285482E+03-8.55823037E+01+1.64691737E+00+6.94744642E-02-4.35533729E-05 3
++1.30171015E-08-1.44134516E-12+3.82106194E+03+2.97878034E+01 4
+C6H103OOH2-1 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.35706798E+01+2.44362818E-02-8.49919874E-06+1.33441074E-09-7.80267805E-14 2
+-4.14069669E+03-9.05552440E+01-5.12700845E-01+8.46518233E-02-6.80011968E-05 3
++2.88057929E-08-5.01540641E-12+3.91670434E+03+3.75351732E+01 4
+C6H102OOH4-5O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.79894624E+01+2.55285153E-02-8.91538113E-06+1.40355248E-09-8.22240440E-14 2
+-2.43730959E+04-1.10866625E+02+1.58140767E+00+9.35665623E-02-7.88770135E-05 3
++3.51187133E-08-6.38734634E-12-1.56854097E+04+2.89658218E+01 4
+C6H102OOH4-6O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.72773170E+01+2.61796496E-02-9.15059792E-06+1.44140203E-09-8.44746905E-14 2
+-2.21409666E+04-1.06012850E+02+1.77730962E+00+8.96793550E-02-7.21579412E-05 3
++3.08782424E-08-5.46384052E-12-1.35246967E+04+2.98041253E+01 4
+C6H102OOH5-4O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.79894624E+01+2.55285153E-02-8.91538113E-06+1.40355248E-09-8.22240440E-14 2
+-2.43730959E+04-1.10866625E+02+1.58140767E+00+9.35665623E-02-7.88770135E-05 3
++3.51187133E-08-6.38734634E-12-1.56854097E+04+2.89658218E+01 4
+C6H102OOH5-6O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.70950096E+01+2.62942321E-02-9.18082428E-06+1.44512064E-09-8.46497937E-14 2
+-2.25534667E+04-1.04639988E+02+2.61043954E+00+8.62028229E-02-6.74604084E-05 3
++2.81730962E-08-4.89693847E-12-1.41722218E+04+2.61483734E+01 4
+C6H102OOH6-4O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.72773170E+01+2.61796496E-02-9.15059792E-06+1.44140203E-09-8.44746905E-14 2
+-2.21409666E+04-1.06012850E+02+1.77730962E+00+8.96793550E-02-7.21579412E-05 3
++3.08782424E-08-5.46384052E-12-1.35246967E+04+2.98041253E+01 4
+C6H102OOH6-5O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.70950096E+01+2.62942321E-02-9.18082428E-06+1.44512064E-09-8.46497937E-14 2
+-2.25534667E+04-1.04639988E+02+2.61043954E+00+8.62028229E-02-6.74604084E-05 3
++2.81730962E-08-4.89693847E-12-1.41722218E+04+2.61483734E+01 4
+C6H103OOH2-1O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.74462755E+01+2.60361877E-02-9.10124714E-06+1.43372336E-09-8.40289184E-14 2
+-2.20407968E+04-1.06906811E+02+7.41773416E-01+9.40159244E-02-7.80995580E-05 3
++3.42988822E-08-6.17488044E-12-1.31761876E+04+3.47824369E+01 4
+C6H103OOH1-2O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.74462755E+01+2.60361877E-02-9.10124714E-06+1.43372336E-09-8.40289184E-14 2
+-2.20407968E+04-1.06906811E+02+7.41773416E-01+9.40159244E-02-7.80995580E-05 3
++3.42988822E-08-6.17488044E-12-1.31761876E+04+3.47824369E+01 4
+C2H3COC3H7 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.86909693E+01+2.41939465E-02-8.38233377E-06+1.31252224E-09-7.65989643E-14 2
+-2.95692017E+04-7.05828250E+01+4.46467269E-01+6.64586762E-02-4.70073659E-05 3
++1.79961137E-08-2.93748963E-12-2.30628492E+04+2.77541300E+01 4
+C5H81-4 C 5H 8 G 300.00 5000.00 1393.00 1
++1.35352242E+01+1.85170786E-02-6.26984814E-06+9.66983255E-10-5.58485033E-14 2
++6.00118884E+03-4.62552894E+01-1.64766327E+00+5.54190112E-02-4.12156069E-05 3
++1.62877209E-08-2.66483052E-12+1.11493804E+04+3.48094470E+01 4
+C5H91O2-3 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++1.86702210E+01+2.16216768E-02-7.48512415E-06+1.17139079E-09-6.83358511E-14 2
+-5.94893165E+03-6.78134047E+01+3.43181024E-01+6.76700566E-02-5.38079915E-05 3
++2.31484493E-08-4.14073100E-12+2.25231466E+02+2.96899952E+01 4
+C5H91O2-4 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++1.84021744E+01+2.17923554E-02-7.53113607E-06+1.17721317E-09-6.86192272E-14 2
+-6.36049709E+03-6.60160803E+01+8.29161679E-01+6.49730353E-02-4.98486874E-05 3
++2.07535028E-08-3.62109673E-12-3.48709260E+02+2.78111162E+01 4
+C5H91O2-5 C 5O 2H 9 G 300.00 5000.00 1388.00 1
++1.77874223E+01+2.23672091E-02-7.74125889E-06+1.21125611E-09-7.06521652E-14 2
+-4.11946666E+03-6.30035459E+01+1.45241685E+00+6.01856302E-02-4.23740334E-05 3
++1.62426968E-08-2.66522777E-12+1.71964569E+03+2.50683944E+01 4
+C5H81OOH3-4 C 5O 2H 9 G 300.00 5000.00 1387.00 1
++2.04736244E+01+1.93718338E-02-6.65285950E-06+1.03631449E-09-6.02831329E-14 2
+-1.02391566E+02-7.51780148E+01+3.21512682E-01+6.81363037E-02-5.23290322E-05 3
++2.07388630E-08-3.35294073E-12+6.71931786E+03+3.24418970E+01 4
+C5H81OOH3-5 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++2.07195327E+01+1.96364025E-02-6.84241764E-06+1.07563823E-09-6.29511640E-14 2
++1.19896467E+03-7.63467720E+01+1.22655285E-01+7.20652015E-02-5.96557159E-05 3
++2.58930340E-08-4.58741292E-12+7.99306548E+03+3.28640779E+01 4
+C5H81OOH4-3 C 5O 2H 9 G 300.00 5000.00 1395.00 1
++2.13003585E+01+1.95078183E-02-6.78481644E-06+1.06526973E-09-6.22918022E-14 2
+-6.03638639E+03-8.32373187E+01-1.09905666E+00+7.85076363E-02-6.81368662E-05 3
++3.06237682E-08-5.54283245E-12+1.12681194E+03+3.47817523E+01 4
+C5H81OOH4-5 C 5O 2H 9 G 300.00 5000.00 1392.00 1
++2.05400792E+01+1.97587133E-02-6.87784366E-06+1.08045541E-09-6.32025760E-14 2
++7.38073415E+02-7.50954151E+01+3.38002912E-01+7.05163186E-02-5.72050085E-05 3
++2.43500517E-08-4.24439952E-12+7.46051091E+03+3.22447136E+01 4
+C5H81OOH5-4 C 5O 2H 9 G 300.00 5000.00 1378.00 1
++1.99797637E+01+1.94783902E-02-6.63044969E-06+1.02741023E-09-5.95687008E-14 2
++1.58234802E+03-7.18412080E+01+1.40984227E+00+6.05508825E-02-4.03214237E-05 3
++1.31746719E-08-1.67859779E-12+8.22059330E+03+2.86434933E+01 4
+C5H81OOH5-3 C 5O 2H 9 G 300.00 5000.00 1392.00 1
++2.06841270E+01+2.00877308E-02-6.99755273E-06+1.09981315E-09-6.43576906E-14 2
+-3.79637676E+03-8.02196830E+01-4.80015195E-01+7.37366908E-02-6.06933626E-05 3
++2.61394273E-08-4.59439636E-12+3.19591805E+03+3.20592964E+01 4
+C5H92O2-1 C 5O 2H 9 G 300.00 5000.00 1382.00 1
++1.73081531E+01+2.28361563E-02-7.91701528E-06+1.24017112E-09-7.23964243E-14 2
+-4.77473659E+03-6.09976106E+01+3.26704287E+00+5.11396085E-02-2.90627615E-05 3
++8.29183575E-09-9.77238694E-13+6.87723123E+02+1.62365492E+01 4
+C5H81OOH3-4O2 C 5O 4H 9 G 300.00 5000.00 1391.00 1
++2.51899540E+01+2.06629888E-02-7.23143253E-06+1.14009288E-09-6.68582448E-14 2
+-2.02995332E+04-9.58973374E+01+7.00675697E-01+8.61763030E-02-7.69681261E-05 3
++3.56494726E-08-6.63419204E-12-1.25103846E+04+3.28746076E+01 4
+C5H81OOH3-5O2 C 5O 4H 9 G 300.00 5000.00 1388.00 1
++2.45930237E+01+2.12211773E-02-7.43558644E-06+1.17319038E-09-6.88358634E-14 2
+-1.80568519E+04-9.33693862E+01+1.50852696E+00+8.07768050E-02-6.87240343E-05 3
++3.07180782E-08-5.59438096E-12-1.04758678E+04+2.88278214E+01 4
+C5H81OOH4-3O2 C 5O 4H 9 G 300.00 5000.00 1391.00 1
++2.51899540E+01+2.06629888E-02-7.23143253E-06+1.14009288E-09-6.68582448E-14 2
+-2.02995332E+04-9.58973374E+01+7.00675697E-01+8.61763030E-02-7.69681261E-05 3
++3.56494726E-08-6.63419204E-12-1.25103846E+04+3.28746076E+01 4
+C5H81OOH4-5O2 C 5O 4H 9 G 300.00 5000.00 1389.00 1
++2.43180086E+01+2.14111651E-02-7.49110481E-06+1.18078372E-09-6.92336785E-14 2
+-1.84737378E+04-9.15550695E+01+1.76455657E+00+7.89923440E-02-6.60490017E-05 3
++2.90938793E-08-5.24124922E-12-1.10119071E+04+2.80364294E+01 4
+C5H81OOH5-3O2 C 5O 4H 9 G 300.00 5000.00 1388.00 1
++2.45930237E+01+2.12211773E-02-7.43558644E-06+1.17319038E-09-6.88358634E-14 2
+-1.80568519E+04-9.33693862E+01+1.50852696E+00+8.07768050E-02-6.87240343E-05 3
++3.07180782E-08-5.59438096E-12-1.04758678E+04+2.88278214E+01 4
+C5H81OOH5-4O2 C 5O 4H 9 G 300.00 5000.00 1389.00 1
++2.43180086E+01+2.14111651E-02-7.49110481E-06+1.18078372E-09-6.92336785E-14 2
+-1.84737378E+04-9.15550695E+01+1.76455657E+00+7.89923440E-02-6.60490017E-05 3
++2.90938793E-08-5.24124922E-12-1.10119071E+04+2.80364294E+01 4
+NC5D1KET34 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET35 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET43 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET45 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET53 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET54 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+CY3C5H8O C 5H 8O 1 G 300.00 5000.00 1402.00 1
++1.67912845E+01+1.86881223E-02-6.41180595E-06+9.97554346E-10-5.79620662E-14 2
+-1.05005341E+04-6.49852651E+01-4.02699181E+00+7.41038879E-02-6.41370347E-05 3
++2.86307024E-08-5.12072635E-12-3.95617677E+03+4.44028774E+01 4
+C5H92O2-4 C 5O 2H 9 G 300.00 5000.00 1386.00 1
++1.87422756E+01+2.13380683E-02-7.43357984E-06+1.16828688E-09-6.83588686E-14 2
+-7.54450706E+03-6.87582545E+01+9.01375645E-01+6.38528130E-02-4.77374522E-05 3
++1.92787152E-08-3.28774895E-12-1.29733332E+03+2.69893904E+01 4
+C5H92O2-5 C 5O 2H 9 G 300.00 5000.00 1383.00 1
++1.78573852E+01+2.20909964E-02-7.69351743E-06+1.20887677E-09-7.07226905E-14 2
+-5.71648590E+03-6.32438068E+01+2.01314892E+00+5.63508696E-02-3.62787502E-05 3
++1.23633332E-08-1.81156485E-12+1.96633604E+02+2.30545262E+01 4
+C5H82OOH4-5 C 5O 2H 9 G 300.00 5000.00 1390.00 1
++2.02523998E+01+2.00480932E-02-6.98766359E-06+1.09864079E-09-6.43037097E-14 2
+-1.44634187E+02-7.41677167E+01+6.61394013E-01+6.85351930E-02-5.44450677E-05 3
++2.28501169E-08-3.95647262E-12+6.46965092E+03+3.02230223E+01 4
+C5H82OOH5-4 C 5O 2H 9 G 300.00 5000.00 1386.00 1
++1.94018576E+01+2.12205528E-02-7.39842947E-06+1.16347432E-09-6.81095377E-14 2
+-5.23334287E+03-7.36138989E+01+6.35397416E-01+6.41576696E-02-4.53679801E-05 3
++1.67174432E-08-2.56598098E-12+1.43967333E+03+2.76051099E+01 4
+C5H82OOH4-5O2 C 5O 4H 9 G 300.00 5000.00 1385.00 1
++2.47038351E+01+2.08612744E-02-7.34831615E-06+1.16354536E-09-6.84394748E-14 2
+-1.96566109E+04-9.45061735E+01+2.01349275E+00+7.72630274E-02-6.31038478E-05 3
++2.70928041E-08-4.78676630E-12-1.19932070E+04+2.63607326E+01 4
+C5H82OOH5-4O2 C 5O 4H 9 G 300.00 5000.00 1385.00 1
++2.47038351E+01+2.08612744E-02-7.34831615E-06+1.16354536E-09-6.84394748E-14 2
+-1.96566109E+04-9.45061735E+01+2.01349275E+00+7.72630274E-02-6.31038478E-05 3
++2.70928041E-08-4.78676630E-12-1.19932070E+04+2.63607326E+01 4
+NC5D2KET45 C 5H 8O 3 G 300.00 5000.00 1379.00 1
++2.09987749E+01+1.97036451E-02-6.93515196E-06+1.09752667E-09-6.45309266E-14 2
+-3.79899302E+04-7.93500933E+01+3.71881929E+00+5.80429795E-02-3.99351130E-05 3
++1.44076499E-08-2.20489062E-12-3.16671772E+04+1.43761257E+01 4
+NC5D2KET54 C 5H 8O 3 G 300.00 5000.00 1386.00 1
++2.16296900E+01+1.91055629E-02-6.71524234E-06+1.06179912E-09-6.23944658E-14 2
+-3.53019453E+04-8.07651220E+01+1.61871337E+00+6.65051584E-02-5.04588167E-05 3
++1.98352113E-08-3.21601142E-12-2.83651200E+04+2.65655885E+01 4
+IC5H12 C 5H 12 G 300.00 5000.00 1390.00 1
++1.57545572E+01+2.63925840E-02-9.07431001E-06+1.41352979E-09-8.21942294E-14 2
+-2.70716747E+04-6.15171687E+01-1.19612542E+00+6.27763972E-02-3.86703566E-05 3
++1.23853668E-08-1.66433269E-12-2.07618289E+04+3.08281594E+01 4
+AC5H11 H 11C 5 G 300.00 5000.00 1389.00 1
++1.53402738E+01+2.42432570E-02-8.34319703E-06+1.30047471E-09-7.56543396E-14 2
+-2.00798022E+03-5.64358577E+01-4.41189766E-01+5.82769785E-02-3.62582727E-05 3
++1.17829592E-08-1.61384222E-12+3.85322010E+03+2.94875430E+01 4
+BC5H11 H 11C 5 G 300.00 5000.00 1378.00 1
++1.38978149E+01+2.54963909E-02-8.78132157E-06+1.36944491E-09-7.96929021E-14 2
+-3.85892889E+03-4.73886894E+01+2.35820469E+00+4.30754444E-02-1.43015489E-05 3
+-1.04411703E-09+1.06104659E-12+1.20929341E+03+1.81181461E+01 4
+CC5H11 H 11C 5 G 300.00 5000.00 1384.00 1
++1.49364897E+01+2.42796217E-02-8.29146318E-06+1.28598475E-09-7.45598253E-14 2
+-3.26451818E+03-5.37259413E+01-1.19871928E-01+5.38690197E-02-2.83955259E-05 3
++6.45727746E-09-3.73260779E-13+2.56014235E+03+2.91794990E+01 4
+DC5H11 H 11C 5 G 300.00 5000.00 1389.00 1
++1.53402738E+01+2.42432570E-02-8.34319703E-06+1.30047471E-09-7.56543396E-14 2
+-2.00798022E+03-5.64358577E+01-4.41189766E-01+5.82769785E-02-3.62582727E-05 3
++1.17829592E-08-1.61384222E-12+3.85322010E+03+2.94875430E+01 4
+AC5H10 C 5H 10 G 300.00 5000.00 1391.00 1
++1.45614087E+01+2.25370538E-02-7.70100060E-06+1.19467870E-09-6.92704808E-14 2
+-1.18004520E+04-5.30651959E+01-2.76630603E-01+5.53539280E-02-3.54499620E-05 3
++1.19626854E-08-1.69878242E-12-6.39547297E+03+2.73911578E+01 4
+BC5H10 C 5H 10 G 300.00 5000.00 1385.00 1
++1.39945443E+01+2.29446582E-02-7.82594153E-06+1.21260230E-09-7.02518457E-14 2
+-1.31576943E+04-5.04083848E+01+1.20274147E+00+4.78872107E-02-2.48144766E-05 3
++5.73514355E-09-3.91266685E-13-8.15212335E+03+2.01592579E+01 4
+CC5H10 C 5H 10 G 300.00 5000.00 1393.00 1
++1.46491909E+01+2.25422061E-02-7.72053001E-06+1.19958604E-09-6.96317745E-14 2
+-1.11652332E+04-5.42252285E+01-1.83685605E+00+6.07709466E-02-4.21592576E-05 3
++1.56103972E-08-2.43142766E-12-5.34864282E+03+3.45203543E+01 4
+AC5H9-A2 C 5H 9 G 300.00 5000.00 1395.00 1
++1.49750409E+01+2.01225887E-02-6.88146417E-06+1.06814445E-09-6.19590521E-14 2
++6.44627469E+03-5.54559389E+01-1.21033758E+00+5.99270218E-02-4.54161848E-05 3
++1.84720758E-08-3.12471510E-12+1.19236049E+04+3.08551263E+01 4
+AC5H9-C C 5H 9 G 300.00 5000.00 1391.00 1
++1.41589519E+01+2.08476156E-02-7.13922935E-06+1.10922683E-09-6.43869471E-14 2
++5.29567020E+03-5.21277925E+01-5.80051463E-01+5.36314838E-02-3.49295541E-05 3
++1.18648559E-08-1.67777526E-12+1.06267222E+04+2.76937030E+01 4
+AC5H9-D C 5H 9 G 300.00 5000.00 1391.00 1
++1.41324788E+01+2.04049427E-02-6.97672248E-06+1.08277127E-09-6.28002919E-14 2
++1.32704144E+04-4.78974756E+01+5.16043332E-01+5.06942079E-02-3.28148436E-05 3
++1.12295970E-08-1.62046694E-12+1.82137239E+04+2.58745040E+01 4
+CC5H9-A C 5H 9 G 300.00 5000.00 1393.00 1
++1.42217097E+01+2.04119170E-02-6.99754727E-06+1.08794956E-09-6.31801197E-14 2
++1.39046190E+04-4.90671831E+01-1.05084059E+00+5.61469987E-02-3.95783698E-05 3
++1.49122501E-08-2.36114833E-12+1.92613631E+04+3.30330899E+01 4
+CC5H9-B C 5H 9 G 300.00 5000.00 1390.00 1
++1.37488177E+01+2.12968668E-02-7.31667105E-06+1.13927710E-09-6.62322892E-14 2
++4.95421077E+03-5.04875121E+01-1.34298383E+00+5.40081867E-02-3.39256098E-05 3
++1.08403555E-08-1.41074687E-12+1.04932842E+04+3.15398815E+01 4
+AC5H9O-A2 C 5H 9O 1 G 300.00 5000.00 1389.00 1
++1.67122590E+01+2.04099546E-02-6.90863640E-06+1.06549630E-09-6.15447496E-14 2
+-3.50286187E+03-6.02787551E+01+5.17938968E-01+5.70752047E-02-3.82547549E-05 3
++1.31238593E-08-1.82693101E-12+2.22660063E+03+2.70905436E+01 4
+AC5H9O-C C 5H 9O 1 G 300.00 5000.00 1395.00 1
++1.85587275E+01+1.84066669E-02-6.13501346E-06+9.37166339E-10-5.37971701E-14 2
+-6.48338717E+03-7.12211423E+01-1.71420068E+00+6.90797467E-02-5.47098033E-05 3
++2.21062909E-08-3.58067814E-12+1.31695143E+02+3.63260717E+01 4
+CC5H9O-B C 5H 9O 1 G 300.00 5000.00 1462.00 1
++2.16481795E+01+1.80406173E-02-6.50182738E-06+1.04533712E-09-6.21435998E-14 2
+-9.81113059E+03-7.07098941E+01+3.19377260E+00+4.36720049E-02-6.98357532E-06 3
+-1.04919571E-08+3.89181602E-12-1.82629880E+03+3.43211965E+01 4
+AC5H11O2H C 5O 2H 12 G 300.00 5000.00 1389.00 1
++2.15869555E+01+2.60547378E-02-9.04237813E-06+1.41759111E-09-8.28040951E-14 2
+-3.92453114E+04-8.56421742E+01+4.44069067E-02+7.54766150E-02-5.29823124E-05 3
++1.95568070E-08-3.02181540E-12-3.15882975E+04+3.05187853E+01 4
+BC5H11O2H C 5O 2H 12 G 300.00 5000.00 1390.00 1
++2.23401401E+01+2.54352935E-02-8.83297551E-06+1.38533290E-09-8.09425716E-14 2
+-4.24295728E+04-9.23957723E+01-3.97508721E-01+8.06823461E-02-6.18334513E-05 3
++2.52285752E-08-4.28329298E-12-3.46399602E+04+2.91428737E+01 4
+CC5H11O2H C 5O 2H 12 G 300.00 5000.00 1391.00 1
++2.23595350E+01+2.53908945E-02-8.81185324E-06+1.38146156E-09-8.06948998E-14 2
+-4.18265064E+04-9.09747015E+01-9.88450790E-01+8.19484869E-02-6.25711181E-05 3
++2.52160156E-08-4.20884962E-12-3.38441892E+04+3.38309021E+01 4
+DC5H11O2H C 5O 2H 12 G 300.00 5000.00 1389.00 1
++2.15869555E+01+2.60547378E-02-9.04237813E-06+1.41759111E-09-8.28040951E-14 2
+-3.92453114E+04-8.63316558E+01+4.44069067E-02+7.54766150E-02-5.29823124E-05 3
++1.95568070E-08-3.02181540E-12-3.15882975E+04+2.98293036E+01 4
+AC5H11O2 H 11C 5O 2 G 300.00 5000.00 1387.00 1
++1.91305682E+01+2.58734361E-02-8.94564539E-06+1.39874818E-09-8.15496670E-14 2
+-2.13288691E+04-7.13684976E+01+1.04508498E+00+6.64953216E-02-4.46034597E-05 3
++1.61325645E-08-2.50633537E-12-1.47457019E+04+2.65731566E+01 4
+BC5H11O2 H 11C 5O 2 G 300.00 5000.00 1389.00 1
++1.98915257E+01+2.52452528E-02-8.73274408E-06+1.36589254E-09-7.96512543E-14 2
+-2.45148127E+04-7.81645112E+01+5.49333341E-01+7.19635121E-02-5.38513921E-05 3
++2.20477878E-08-3.82067005E-12-1.77899294E+04+2.54413184E+01 4
+CC5H11O2 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++1.98562654E+01+2.52285636E-02-8.71686439E-06+1.36237600E-09-7.94050428E-14 2
+-2.38775750E+04-7.64008223E+01-4.18072125E-02+7.33312133E-02-5.49267268E-05 3
++2.23135986E-08-3.81632892E-12-1.69961470E+04+3.01128849E+01 4
+DC5H11O2 H 11C 5O 2 G 300.00 5000.00 1387.00 1
++1.91305682E+01+2.58734361E-02-8.94564539E-06+1.39874818E-09-8.15496670E-14 2
+-2.13288691E+04-7.20579792E+01+1.04508498E+00+6.64953216E-02-4.46034597E-05 3
++1.61325645E-08-2.50633537E-12-1.47457019E+04+2.58836750E+01 4
+AC5H11O H 11C 5O 1 G 300.00 5000.00 1393.00 1
++1.75869049E+01+2.45367427E-02-8.37092452E-06+1.29739442E-09-7.51829993E-14 2
+-1.95805248E+04-6.59883636E+01-9.19732265E-01+6.67848684E-02-4.52387295E-05 3
++1.59896239E-08-2.33753316E-12-1.30295529E+04+3.37952790E+01 4
+BC5H11O H 11C 5O 1 G 300.00 5000.00 1394.00 1
++1.82069801E+01+2.41156964E-02-8.24753836E-06+1.28029203E-09-7.42707701E-14 2
+-2.31211937E+04-7.15376167E+01-9.58911487E-01+7.02275401E-02-5.16299649E-05 3
++2.02646116E-08-3.31507815E-12-1.65446528E+04+3.10108152E+01 4
+CC5H11O H 11C 5O 1 G 300.00 5000.00 1394.00 1
++1.79690528E+01+2.45047519E-02-8.42212090E-06+1.31167041E-09-7.62623929E-14 2
+-2.18981212E+04-6.91606112E+01-1.17934351E+00+6.99941133E-02-5.06899867E-05 3
++1.96175724E-08-3.17877376E-12-1.52526970E+04+3.35279941E+01 4
+DC5H11O H 11C 5O 1 G 300.00 5000.00 1393.00 1
++1.75869049E+01+2.45367427E-02-8.37092452E-06+1.29739442E-09-7.51829993E-14 2
+-1.95805248E+04-6.66778452E+01-9.19732265E-01+6.67848684E-02-4.52387295E-05 3
++1.59896239E-08-2.33753316E-12-1.30295529E+04+3.31057974E+01 4
+AC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.05905291E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.90353800E+01 4
+AC5H10OOH-B H 11C 5O 2 G 300.00 5000.00 1396.00 1
++1.83971804E+01+2.51599624E-02-8.49818403E-06+1.30795807E-09-7.54165072E-14 2
+-1.43214038E+04-6.12419736E+01+3.58789128E+00+5.71245256E-02-3.42556446E-05 3
++1.05253611E-08-1.31115444E-12-8.87735184E+03+1.92877629E+01 4
+AC5H10OOH-C H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.12375512E+01+2.31283536E-02-7.89600878E-06+1.22535095E-09-7.11019018E-14 2
+-1.55928844E+04-8.04254070E+01+9.16725969E-01+6.72427603E-02-4.31327712E-05 3
++1.34482819E-08-1.60817257E-12-8.23140321E+03+2.98515047E+01 4
+AC5H10OOH-D H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.05905291E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.90353800E+01 4
+BC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.19189546E+01+2.32732351E-02-8.09345412E-06+1.27055477E-09-7.42859874E-14 2
+-1.73602442E+04-8.72651740E+01+5.11498358E-01+7.54442595E-02-5.82826916E-05 3
++2.38983670E-08-4.06813453E-12-1.00467158E+04+2.71001483E+01 4
+BC5H10OOH-C H 11C 5O 2 G 300.00 5000.00 1387.00 1
++2.14861952E+01+2.33370570E-02-8.05076237E-06+1.25735030E-09-7.32587422E-14 2
+-1.85948986E+04-8.43704486E+01+9.24581905E-01+7.06635159E-02-4.98634535E-05 3
++1.82112320E-08-2.74283122E-12-1.13548266E+04+2.63586978E+01 4
+BC5H10OOH-D H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.19189546E+01+2.32732351E-02-8.09345412E-06+1.27055477E-09-7.42859874E-14 2
+-1.73602442E+04-8.72651740E+01+5.11498358E-01+7.54442595E-02-5.82826916E-05 3
++2.38983670E-08-4.06813453E-12-1.00467158E+04+2.71001483E+01 4
+CC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1391.00 1
++2.19354136E+01+2.32306883E-02-8.07273382E-06+1.26671388E-09-7.40385402E-14 2
+-1.67498552E+04-8.58152001E+01-1.63294785E-01+7.72022052E-02-5.98591721E-05 3
++2.44432949E-08-4.12159119E-12-9.24143418E+03+3.21519047E+01 4
+CC5H10OOH-B H 11C 5O 2 G 300.00 5000.00 1383.00 1
++2.05037039E+01+2.44417681E-02-8.48903925E-06+1.33151458E-09-7.78033634E-14 2
+-1.85742448E+04-7.74485218E+01+3.35857532E+00+5.91592771E-02-3.38846200E-05 3
++9.18399374E-09-9.16127182E-13-1.20054171E+04+1.66606404E+01 4
+CC5H10OOH-D H 11C 5O 2 G 300.00 5000.00 1391.00 1
++2.19354136E+01+2.32306883E-02-8.07273382E-06+1.26671388E-09-7.40385402E-14 2
+-1.67498552E+04-8.58152001E+01-1.63294785E-01+7.72022052E-02-5.98591721E-05 3
++2.44432949E-08-4.12159119E-12-9.24143418E+03+3.21519047E+01 4
+DC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.16876605E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.79382486E+01 4
+DC5H10OOH-B H 11C 5O 2 G 300.00 5000.00 1378.00 1
++1.97619617E+01+2.51237235E-02-8.73586300E-06+1.37125464E-09-8.01665463E-14 2
+-1.60405748E+04-7.30602183E+01+3.96384200E+00+5.42183007E-02-2.62672446E-05 3
++4.65724194E-09+3.00460518E-14-9.67478947E+03+1.47219740E+01 4
+DC5H10OOH-C H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.12375512E+01+2.31283536E-02-7.89600878E-06+1.22535095E-09-7.11019018E-14 2
+-1.55928844E+04-8.11148886E+01+9.16725969E-01+6.72427603E-02-4.31327712E-05 3
++1.34482819E-08-1.60817257E-12-8.23140321E+03+2.91620231E+01 4
+A-AC5H10O C 5O 1H 10 G 300.00 5000.00 1371.00 1
++1.80576624E+01+2.21664890E-02-7.87642300E-06+1.25444585E-09-7.40861328E-14 2
+-2.50353632E+04-7.53718782E+01-3.12406832E+00+6.53619579E-02-3.97637688E-05 3
++1.12697830E-08-1.18120030E-12-1.69737388E+04+4.07521583E+01 4
+A-BC5H10O C 5O 1H 10 G 300.00 5000.00 1382.00 1
++1.86652877E+01+2.13598734E-02-7.52975880E-06+1.19287800E-09-7.01891378E-14 2
+-2.77496616E+04-7.75749394E+01-2.76334033E+00+7.23487211E-02-5.55616263E-05 3
++2.25658441E-08-3.82992076E-12-2.02677933E+04+3.74075826E+01 4
+A-CC5H10O C 5O 1H 10 G 300.00 5000.00 1373.00 1
++1.87148832E+01+2.16122625E-02-7.68638433E-06+1.22492227E-09-7.23734176E-14 2
+-2.74336223E+04-7.86661849E+01-3.51633623E+00+6.86975884E-02-4.46579237E-05 3
++1.40670556E-08-1.74934766E-12-1.91663581E+04+4.25589840E+01 4
+A-DC5H10O C 5O 1H 10 G 300.00 5000.00 1368.00 1
++1.73081373E+01+2.28491250E-02-8.12276465E-06+1.29408434E-09-7.64438847E-14 2
+-3.52062516E+04-7.10628522E+01-4.14429760E+00+6.51989562E-02-3.73536626E-05 3
++9.22783007E-09-6.73298964E-13-2.69163477E+04+4.70167331E+01 4
+B-CC5H10O C 5O 1H 10 G 300.00 5000.00 1385.00 1
++1.92598600E+01+2.08099611E-02-7.32974772E-06+1.16055317E-09-6.82613470E-14 2
+-3.00830774E+04-8.18004129E+01-3.37535249E+00+7.70352310E-02-6.28442248E-05 3
++2.69389203E-08-4.75190161E-12-2.24367836E+04+3.87826632E+01 4
+B-DC5H10O C 5O 1H 10 G 300.00 5000.00 1373.00 1
++1.87653667E+01+2.15362849E-02-7.65224713E-06+1.21871934E-09-7.19753198E-14 2
+-2.85747158E+04-8.06460279E+01-2.73108687E+00+6.70391324E-02-4.35138990E-05 3
++1.38175873E-08-1.75593164E-12-2.05593275E+04+3.66133237E+01 4
+C-DC5H10O C 5O 1H 10 G 300.00 5000.00 1383.00 1
++1.85201884E+01+2.14489156E-02-7.55266486E-06+1.19562146E-09-7.03146400E-14 2
+-2.65081886E+04-7.62917959E+01-3.17722836E+00+7.29625837E-02-5.57042158E-05 3
++2.23478002E-08-3.73315078E-12-1.89470828E+04+4.01292996E+01 4
+AC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.75894162E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.57292878E+01 4
+AC5H10OOH-BO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.02781946E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.38579305E+01 4
+AC5H10OOH-CO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+AC5H10OOH-DO2 H 11C 5O 4 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.68999345E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.64187695E+01 4
+BC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.02781946E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.38579305E+01 4
+BC5H10OOH-CO2 H 11C 5O 4 G 300.00 5000.00 1390.00 1
++2.63952675E+01+2.43055030E-02-8.48674313E-06+1.33591350E-09-7.82551637E-14 2
+-3.90346893E+04-1.07185707E+02+1.10269679E+00+8.96149117E-02-7.57659375E-05 3
++3.37962095E-08-6.15184496E-12-3.07320340E+04+2.66826386E+01 4
+BC5H10OOH-DO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.03471427E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.31684489E+01 4
+CC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+CC5H10OOH-BO2 H 11C 5O 4 G 300.00 5000.00 1390.00 1
++2.63952675E+01+2.43055030E-02-8.48674313E-06+1.33591350E-09-7.82551637E-14 2
+-3.90346893E+04-1.07185707E+02+1.10269679E+00+8.96149117E-02-7.57659375E-05 3
++3.37962095E-08-6.15184496E-12-3.07320340E+04+2.66826386E+01 4
+CC5H10OOH-DO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+DC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.68999345E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.64187695E+01 4
+DC5H10OOH-BO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.03471427E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.31684489E+01 4
+DC5H10OOH-CO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+IC5KETAA C 5O 3H 10 G 300.00 5000.00 1388.00 1
++2.27018201E+01+2.27623983E-02-7.95317701E-06+1.25254826E-09-7.33995564E-14 2
+-4.88049225E+04-8.74481434E+01+5.36600103E-01+7.50896887E-02-5.59977257E-05 3
++2.17307506E-08-3.48563492E-12-4.11064564E+04+3.14936271E+01 4
+IC5KETAB C 5O 3H 10 G 300.00 5000.00 1389.00 1
++2.40842006E+01+2.16434154E-02-7.58091068E-06+1.19599268E-09-7.01732329E-14 2
+-5.18763832E+04-9.75616536E+01+9.90030235E-01+7.52486642E-02-5.50772372E-05 3
++2.03582394E-08-3.04665058E-12-4.38361216E+04+2.65683915E+01 4
+IC5KETAC C 5O 3H 10 G 300.00 5000.00 1391.00 1
++2.34683563E+01+2.20730486E-02-7.70715635E-06+1.21330946E-09-7.10816173E-14 2
+-5.13782035E+04-9.20403381E+01+1.99303977E-01+7.83179542E-02-6.05722648E-05 3
++2.41968274E-08-3.95435215E-12-4.34638912E+04+3.22981679E+01 4
+IC5KETAD C 5O 3H 10 G 300.00 5000.00 1388.00 1
++2.27018201E+01+2.27623983E-02-7.95317701E-06+1.25254826E-09-7.33995564E-14 2
+-4.88049225E+04-8.74481434E+01+5.36600103E-01+7.50896887E-02-5.59977257E-05 3
++2.17307506E-08-3.48563492E-12-4.11064564E+04+3.14936271E+01 4
+IC5KETCA C 5O 3H 10 G 300.00 5000.00 1386.00 1
++2.23936225E+01+2.30830714E-02-8.07739965E-06+1.27340111E-09-7.46743612E-14 2
+-5.25460012E+04-8.64630973E+01+5.01026913E-01+7.32093413E-02-5.22315114E-05 3
++1.91893861E-08-2.91025524E-12-4.47901692E+04+3.15622880E+01 4
+IC5KETCB C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.38381050E+01+2.19492828E-02-7.70845830E-06+1.21824528E-09-7.15652458E-14 2
+-5.56527505E+04-9.76513664E+01+2.97401995E-01+7.64035840E-02-5.58642785E-05 3
++2.06570759E-08-3.10185324E-12-4.74239290E+04+2.89698043E+01 4
+IC5KETCD C 5O 3H 10 G 300.00 5000.00 1383.00 1
++2.22445195E+01+2.32429375E-02-8.13939936E-06+1.28375132E-09-7.53028874E-14 2
+-5.25016214E+04-8.53496595E+01+2.27135608E+00+6.77725287E-02-4.64127889E-05 3
++1.65517953E-08-2.47901257E-12-4.52485605E+04+2.28504134E+01 4
+IC5KETDA C 5O 3H 10 G 300.00 5000.00 1385.00 1
++2.23748861E+01+2.30141606E-02-8.03341343E-06+1.26431338E-09-7.40516168E-14 2
+-4.87803738E+04-8.53457562E+01+2.45487380E+00+6.89562352E-02-4.94614671E-05 3
++1.87791829E-08-3.00201291E-12-4.16944571E+04+2.20317500E+01 4
+IC5KETDB C 5O 3H 10 G 300.00 5000.00 1386.00 1
++2.30963831E+01+2.24125490E-02-7.82820477E-06+1.23251010E-09-7.22086331E-14 2
+-5.19506233E+04-9.19136638E+01+2.39215811E+00+7.23979537E-02-5.56527262E-05 3
++2.27957429E-08-3.89778838E-12-4.48011749E+04+1.89118954E+01 4
+IC5KETDC C 5O 3H 10 G 300.00 5000.00 1390.00 1
++2.35511020E+01+2.20370496E-02-7.70229869E-06+1.21333612E-09-7.11148382E-14 2
+-5.11090402E+04-9.29911716E+01+4.19611403E-02+7.96221577E-02-6.28755971E-05 3
++2.57640021E-08-4.32179573E-12-4.31706563E+04+3.23917806E+01 4
+AC5H10OH H 11C 5O 1 G 300.00 5000.00 1381.00 1
++1.57053942E+01+2.55921700E-02-8.70811298E-06+1.34716260E-09-7.79628294E-14 2
+-2.25377771E+04-5.15555174E+01+3.09642922E+00+4.68661615E-02-1.83869508E-05 3
++8.20832987E-10+7.67460794E-13-1.72846429E+04+1.91578923E+01 4
+BC5H10OH H 11C 5O 1 G 300.00 5000.00 1387.00 1
++1.61657616E+01+2.54934476E-02-8.73565162E-06+1.35763483E-09-7.88148800E-14 2
+-2.48317907E+04-5.58394716E+01+2.52157061E+00+5.18237668E-02-2.65312746E-05 3
++6.10515255E-09-4.32512771E-13-1.94355870E+04+1.95767452E+01 4
+CC5H10OH H 11C 5O 1 G 300.00 5000.00 1374.00 1
++1.78146436E+01+2.31777549E-02-7.76038398E-06+1.18900766E-09-6.83934164E-14 2
+-2.24543185E+04-6.48614694E+01+2.04135308E-01+5.88299650E-02-3.24898705E-05 3
++7.50026128E-09-3.65893927E-13-1.58607468E+04+3.15479677E+01 4
+AO2C5H10OH H 11C 5O 3 G 300.00 5000.00 1398.00 1
++2.08105945E+01+2.58369830E-02-8.76925603E-06+1.35402215E-09-7.82456030E-14 2
+-4.24674273E+04-7.60944497E+01+2.38199108E+00+7.18375133E-02-5.42641346E-05 3
++2.24041452E-08-3.86885861E-12-3.62744244E+04+2.19774449E+01 4
+BO2C5H10OH H 11C 5O 3 G 300.00 5000.00 1400.00 1
++2.16076261E+01+2.51801329E-02-8.54720351E-06+1.31983972E-09-7.62748525E-14 2
+-4.48761977E+04-8.15577009E+01+1.52617651E+00+7.75488797E-02-6.26549788E-05 3
++2.73021817E-08-4.88654203E-12-3.83722486E+04+2.44808615E+01 4
+CO2C5H10OH H 11C 5O 3 G 300.00 5000.00 1397.00 1
++2.08408570E+01+2.59206320E-02-8.82353537E-06+1.36524107E-09-7.90130782E-14 2
+-4.19808071E+04-7.66306291E+01+1.89146646E+00+7.16579256E-02-5.21095309E-05 3
++2.04539389E-08-3.36389081E-12-3.54813599E+04+2.47261361E+01 4
+CH3CHCHO H 5O 1C 3 G 300.00 5000.00 1253.00 1
++8.27772090E+00+1.95687188E-02-8.47575089E-06+1.53249728E-09-9.86441542E-14 2
+-8.34456062E+03-2.17652483E+01-2.72811212E+00+3.80354483E-02-1.96782132E-05 3
++5.09554570E-09-7.28789092E-13-3.51122739E+03+4.04496677E+01 4
+IC3H5COCH3 C 5H 8O 1 G 300.00 5000.00 1389.00 1
++1.57135746E+01+1.94104717E-02-6.71160542E-06+1.04957119E-09-6.12003730E-14 2
+-2.65071075E+04-5.72269076E+01+8.09246454E-01+5.28377081E-02-3.55040712E-05 3
++1.24787059E-08-1.83544455E-12-2.11322752E+04+2.34120820E+01 4
+IC3H5COCH2 C 5H 7O 1 G 300.00 5000.00 1391.00 1
++1.70407321E+01+1.59214786E-02-5.55063598E-06+8.72891334E-10-5.10998924E-14 2
+-5.41848521E+03-6.39228376E+01+5.48800712E-01+5.64406935E-02-4.45492244E-05 3
++1.83208797E-08-3.08879949E-12+1.42569300E+02+2.39985123E+01 4
+AC3H4COCH3 C 5H 7O 1 G 300.00 5000.00 1389.00 1
++1.56880361E+01+1.74310098E-02-6.05676510E-06+9.50342951E-10-5.55458474E-14 2
+-8.66309058E+03-5.67277584E+01-3.84131406E-01+5.59167204E-02-4.21424901E-05 3
++1.67314239E-08-2.75664106E-12-3.12232942E+03+2.93464240E+01 4
+IC6H14 H 14C 6 G 300.00 5000.00 1392.00 1
++1.89218968E+01+3.07714665E-02-1.05523935E-05+1.64094307E-09-9.53043216E-14 2
+-3.13407083E+04-7.68880761E+01-1.49039355E+00+7.49783888E-02-4.66434710E-05 3
++1.49348963E-08-1.97251090E-12-2.38232544E+04+3.41061153E+01 4
+AC6H13 H 13C 6 G 300.00 5000.00 1392.00 1
++1.85074039E+01+2.86218271E-02-9.82105187E-06+1.52783880E-09-8.87609934E-14 2
+-6.27646161E+03-7.18043432E+01-7.21275521E-01+7.04218954E-02-4.41509022E-05 3
++1.42843117E-08-1.91164474E-12+7.89482151E+02+3.26985381E+01 4
+BC6H13 H 13C 6 G 300.00 5000.00 1381.00 1
++1.69842194E+01+2.99437985E-02-1.02829375E-05+1.60051599E-09-9.30152113E-14 2
+-8.09389237E+03-6.29779897E+01+2.41481893E+00+5.37101055E-02-2.00895084E-05 3
++2.38811969E-10+1.01694001E-12-1.90401203E+03+1.90832462E+01 4
+CC6H13 H 13C 6 G 300.00 5000.00 1385.00 1
++1.82241682E+01+2.84884867E-02-9.69800610E-06+1.50105127E-09-8.69082914E-14 2
+-7.58413810E+03-6.97809262E+01-3.90316852E-01+6.59532054E-02-3.61095592E-05 3
++8.79473910E-09-6.27301518E-13-5.05045378E+02+3.23470949E+01 4
+DC6H13 H 13C 6 G 300.00 5000.00 1385.00 1
++1.82241682E+01+2.84884867E-02-9.69800610E-06+1.50105127E-09-8.69082914E-14 2
+-7.58413810E+03-6.97809262E+01-3.90316852E-01+6.59532054E-02-3.61095592E-05 3
++8.79473910E-09-6.27301518E-13-5.05045378E+02+3.23470949E+01 4
+EC6H13 H 13C 6 G 300.00 5000.00 1392.00 1
++1.85074039E+01+2.86218271E-02-9.82105187E-06+1.52783880E-09-8.87609934E-14 2
+-6.27646161E+03-7.18043432E+01-7.21275521E-01+7.04218954E-02-4.41509022E-05 3
++1.42843117E-08-1.91164474E-12+7.89482151E+02+3.26985381E+01 4
+AC6H12 C 6H 12 G 300.00 5000.00 1391.00 1
++1.77919314E+01+2.68882975E-02-9.17597563E-06+1.42232776E-09-8.24250741E-14 2
+-1.59089099E+04-6.89733605E+01-5.11775170E-01+6.75515839E-02-4.35931315E-05 3
++1.47174635E-08-2.07208823E-12-9.28196280E+03+3.01733384E+01 4
+BC6H12 C 6H 12 G 300.00 5000.00 1389.00 1
++1.73194968E+01+2.73143455E-02-9.32825404E-06+1.44663699E-09-8.38619242E-14 2
+-1.72536853E+04-6.67708402E+01+6.61236759E-03+6.41016647E-02-3.85052017E-05 3
++1.17598218E-08-1.46218293E-12-1.08021940E+04+2.76294362E+01 4
+CC6H12 C 6H 12 G 300.00 5000.00 1393.00 1
++1.72953713E+01+2.74904466E-02-9.42213872E-06+1.46464229E-09-8.50427572E-14 2
+-1.65683634E+04-6.72858572E+01-1.31890347E+00+6.85974519E-02-4.39881674E-05 3
++1.47291905E-08-2.05794505E-12-9.79395525E+03+3.36472333E+01 4
+DC6H12 C 6H 12 G 300.00 5000.00 1393.00 1
++1.78016854E+01+2.70503442E-02-9.26880883E-06+1.44060726E-09-8.36409602E-14 2
+-1.53895390E+04-6.97378005E+01-1.91003140E+00+7.20913803E-02-4.89283154E-05 3
++1.75436586E-08-2.63338518E-12-8.38084939E+03+3.65870879E+01 4
+AC6H11-A2 H 11C 6 G 300.00 5000.00 1395.00 1
++1.82026718E+01+2.44812048E-02-8.35996384E-06+1.29643763E-09-7.51546950E-14 2
++2.33876532E+03-7.13491902E+01-1.47932805E+00+7.22802333E-02-5.37942381E-05 3
++2.13741487E-08-3.53072969E-12+9.04209177E+03+3.37929715E+01 4
+AC6H11-C H 11C 6 G 300.00 5000.00 1391.00 1
++1.73925747E+01+2.51953840E-02-8.61283764E-06+1.33664647E-09-7.75275756E-14 2
++1.18586639E+03-6.80542016E+01-8.34480314E-01+6.59130188E-02-4.31921071E-05 3
++1.46901865E-08-2.06602701E-12+7.74317615E+03+3.05654616E+01 4
+AC6H11-D H 11C 6 G 300.00 5000.00 1382.00 1
++1.71796835E+01+2.44946059E-02-8.27862597E-06+1.27550777E-09-7.36249381E-14 2
++7.79910800E+03-6.23751670E+01+6.93336063E-01+5.79431818E-02-3.20806649E-05 3
++7.93413671E-09-5.82122675E-13+1.40234096E+04+2.79516628E+01 4
+AC6H11-E H 11C 6 G 300.00 5000.00 1391.00 1
++1.73660563E+01+2.47543194E-02-8.45119156E-06+1.31035396E-09-7.59514758E-14 2
++9.16086456E+03-6.38235508E+01+2.49943006E-01+6.30361731E-02-4.11725030E-05 3
++1.41157447E-08-2.02238094E-12+1.53316983E+04+2.87984616E+01 4
+BC6H11-E H 11C 6 G 300.00 5000.00 1389.00 1
++1.68955004E+01+2.51788753E-02-8.60298588E-06+1.33459142E-09-7.73843192E-14 2
++7.81519433E+03-6.16322155E+01+7.63030919E-01+5.96101310E-02-3.61175604E-05 3
++1.11772823E-08-1.41652007E-12+1.38122414E+04+2.62789403E+01 4
+CC6H11-A H 11C 6 G 300.00 5000.00 1393.00 1
++1.68710453E+01+2.53547639E-02-8.69680328E-06+1.35259585E-09-7.85657713E-14 2
++8.49347715E+03-6.21614459E+01-6.89878647E-01+6.45561830E-02-4.21978643E-05 3
++1.44919783E-08-2.08520825E-12+1.48430791E+04+3.29119720E+01 4
+CC6H11-B H 11C 6 G 300.00 5000.00 1381.00 1
++1.53461030E+01+2.66654957E-02-9.15202584E-06+1.42394531E-09-8.27311194E-14 2
++6.58175430E+03-5.26161906E+01+2.54157024E+00+4.74614479E-02-1.75984466E-05 3
++1.18844602E-10+9.15595617E-13+1.20333815E+04+1.95409169E+01 4
+DC6H11-A H 11C 6 G 300.00 5000.00 1393.00 1
++1.73789104E+01+2.49141494E-02-8.54341211E-06+1.32855830E-09-7.71639569E-14 2
++9.67894432E+03-6.46052754E+01-1.12223791E+00+6.74746771E-02-4.63673789E-05 3
++1.68609510E-08-2.56700270E-12+1.62284521E+04+3.50882911E+01 4
+DC6H11-B H 11C 6 G 300.00 5000.00 1383.00 1
++1.58183507E+01+2.62602278E-02-9.01167647E-06+1.40200988E-09-8.14536996E-14 2
++7.78480177E+03-5.48493603E+01+2.17247229E+00+5.00897603E-02-2.13555213E-05 3
++2.23928273E-09+4.88373356E-13+1.34096122E+04+2.14270725E+01 4
+DC6H11-C H 11C 6 G 300.00 5000.00 1393.00 1
++1.74048492E+01+2.53567462E-02-8.70574279E-06+1.35496821E-09-7.87471431E-14 2
++1.70459201E+03-6.88324069E+01-2.22322509E+00+7.04264966E-02-4.84953119E-05 3
++1.74996623E-08-2.62417843E-12+8.64237252E+03+3.69315857E+01 4
+AC6H11O-C H 11C 6O 1 G 300.00 5000.00 1392.00 1
++2.17573736E+01+2.26921265E-02-7.57004024E-06+1.15702912E-09-6.64430705E-14 2
+-1.05744435E+04-8.69130537E+01-1.82035418E+00+8.07063934E-02-6.22831139E-05 3
++2.46330602E-08-3.92390793E-12-2.77247206E+03+3.85201862E+01 4
+CC6H11O-B H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.11955687E+01+2.29701980E-02-7.62227789E-06+1.16065576E-09-6.64715930E-14 2
+-1.29306307E+04-8.49746291E+01-1.17967324E+00+7.81909883E-02-5.99795020E-05 3
++2.37932961E-08-3.81853229E-12-5.53273660E+03+3.40198543E+01 4
+DC6H11O-C H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.13806432E+01+2.30378839E-02-7.69358197E-06+1.17665055E-09-6.75959737E-14 2
+-9.83646408E+03-8.52880631E+01-2.76652098E+00+8.36848075E-02-6.65178286E-05 3
++2.72840686E-08-4.51819629E-12-1.94611129E+03+4.27763392E+01 4
+AC6H13O2 H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.22886148E+01+3.03910052E-02-1.05002476E-05+1.64107136E-09-9.56472508E-14 2
+-2.54266277E+04-8.69083127E+01+8.34467457E-01+7.86137067E-02-5.27315598E-05 3
++1.89843054E-08-2.92332318E-12-1.76362853E+04+2.92377865E+01 4
+BC6H13O2 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.30458742E+01+2.97706645E-02-1.02910769E-05+1.60890361E-09-9.37931246E-14 2
+-2.86118730E+04-9.36845710E+01+3.72940700E-01+8.39343109E-02-6.17679663E-05 3
++2.47759515E-08-4.21198306E-12-2.06857939E+04+2.79465910E+01 4
+CC6H13O2 H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.30489841E+01+2.97247024E-02-1.02659461E-05+1.60404020E-09-9.34727049E-14 2
+-2.79933031E+04-9.21493647E+01-2.03646110E-01+8.52144048E-02-6.26174151E-05 3
++2.48590257E-08-4.16108078E-12-1.98941133E+04+3.25528387E+01 4
+DC6H13O2 H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.30489841E+01+2.97247024E-02-1.02659461E-05+1.60404020E-09-9.34727049E-14 2
+-2.79933031E+04-9.21493647E+01-2.03646110E-01+8.52144048E-02-6.26174151E-05 3
++2.48590257E-08-4.16108078E-12-1.98941133E+04+3.25528387E+01 4
+EC6H13O2 H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.22886148E+01+3.03910052E-02-1.05002476E-05+1.64107136E-09-9.56472508E-14 2
+-2.54266277E+04-8.75977943E+01+8.34467457E-01+7.86137067E-02-5.27315598E-05 3
++1.89843054E-08-2.92332318E-12-1.76362853E+04+2.92377865E+01 4
+AC6H13O2H H 14C 6O 2 G 300.00 5000.00 1389.00 1
++2.47461206E+01+3.05690659E-02-1.05953546E-05+1.65960757E-09-9.68816760E-14 2
+-4.33414991E+04-1.01183435E+02-1.20894077E-01+8.74189534E-02-6.08632828E-05 3
++2.22596283E-08-3.40642319E-12-3.44864717E+04+3.29679757E+01 4
+BC6H13O2H H 14C 6O 2 G 300.00 5000.00 1390.00 1
++2.54796383E+01+2.99619917E-02-1.03892563E-05+1.62776466E-09-9.50402644E-14 2
+-4.65182816E+04-1.07822133E+02-3.84745299E-01+9.17687045E-02-6.84094717E-05 3
++2.71147158E-08-4.48681570E-12-3.75631793E+04+3.07815919E+01 4
+CC6H13O2H H 14C 6O 2 G 300.00 5000.00 1391.00 1
++2.55587244E+01+2.98820202E-02-1.03593281E-05+1.62288897E-09-9.47493818E-14 2
+-4.59453915E+04-1.06761756E+02-1.14502692E+00+9.38036145E-02-7.02030825E-05 3
++2.77175376E-08-4.54282388E-12-3.67429144E+04+3.62469945E+01 4
+DC6H13O2H H 14C 6O 2 G 300.00 5000.00 1391.00 1
++2.55587244E+01+2.98820202E-02-1.03593281E-05+1.62288897E-09-9.47493818E-14 2
+-4.59453915E+04-1.06761756E+02-1.14502692E+00+9.38036145E-02-7.02030825E-05 3
++2.77175376E-08-4.54282388E-12-3.67429144E+04+3.62469945E+01 4
+EC6H13O2H H 14C 6O 2 G 300.00 5000.00 1389.00 1
++2.47461206E+01+3.05690659E-02-1.05953546E-05+1.65960757E-09-9.68816760E-14 2
+-4.33414991E+04-1.01872917E+02-1.20894077E-01+8.74189534E-02-6.08632828E-05 3
++2.22596283E-08-3.40642319E-12-3.44864717E+04+3.22784940E+01 4
+AC6H13O H 13C 6O 1 G 300.00 5000.00 1393.00 1
++2.07407512E+01+2.90441793E-02-9.91898396E-06+1.53837787E-09-8.91896638E-14 2
+-2.36717876E+04-8.14921659E+01-1.10169867E+00+7.88004918E-02-5.32440995E-05 3
++1.87702513E-08-2.73867617E-12-1.59250624E+04+3.63224467E+01 4
+BC6H13O H 13C 6O 1 G 300.00 5000.00 1394.00 1
++2.13738380E+01+2.86079827E-02-9.78961483E-06+1.52027435E-09-8.82167790E-14 2
+-2.72183307E+04-8.71171285E+01-1.14499967E+00+8.22520492E-02-5.96240912E-05 3
++2.30259070E-08-3.71004273E-12-1.94393923E+04+3.35584767E+01 4
+CC6H13O H 13C 6O 1 G 300.00 5000.00 1395.00 1
++2.11457388E+01+2.89417927E-02-9.93473533E-06+1.54596808E-09-8.98334011E-14 2
+-2.59818828E+04-8.47582294E+01-1.36089174E+00+8.20470838E-02-5.87205947E-05 3
++2.23560537E-08-3.55684509E-12-1.81496958E+04+3.60430927E+01 4
+DC6H13O H 13C 6O 1 G 300.00 5000.00 1395.00 1
++2.11457388E+01+2.89417927E-02-9.93473533E-06+1.54596808E-09-8.98334011E-14 2
+-2.59818828E+04-8.47582294E+01-1.36089174E+00+8.20470838E-02-5.87205947E-05 3
++2.23560537E-08-3.55684509E-12-1.81496958E+04+3.60430927E+01 4
+EC6H13O H 13C 6O 1 G 300.00 5000.00 1393.00 1
++2.07407512E+01+2.90441793E-02-9.91898396E-06+1.53837787E-09-8.91896638E-14 2
+-2.36717876E+04-8.21816475E+01-1.10169867E+00+7.88004918E-02-5.32440995E-05 3
++1.87702513E-08-2.73867617E-12-1.59250624E+04+3.56329651E+01 4
+AC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.35509613E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.13292298E+01 4
+AC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.22730342E+01+3.03870349E-02-1.04955591E-05+1.64003275E-09-9.55755922E-14 2
+-1.98338759E+04-8.34529412E+01+3.80080251E+00+6.62643795E-02-3.49049743E-05 3
++8.19777702E-09-5.89157399E-13-1.25731075E+04+1.85330105E+01 4
+AC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.34337612E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.28879726E+01 4
+AC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.34337612E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.28879726E+01 4
+AC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.35509613E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.13292298E+01 4
+BC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.50724822E+01+2.77997156E-02-9.65221757E-06+1.51363792E-09-8.84322022E-14 2
+-2.14566893E+04-1.02780100E+02+3.29972045E-01+8.74415478E-02-6.62416953E-05 3
++2.66536336E-08-4.46547796E-12-1.29419028E+04+2.96284309E+01 4
+BC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.46364512E+01+2.78516374E-02-9.60212776E-06+1.49893237E-09-8.73034439E-14 2
+-2.26854295E+04-9.94482796E+01+7.28467840E-01+8.27351038E-02-5.79477332E-05 3
++2.10402680E-08-3.15464371E-12-1.42479989E+04+2.93605378E+01 4
+BC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.46364512E+01+2.78516374E-02-9.60212776E-06+1.49893237E-09-8.73034439E-14 2
+-2.26854295E+04-9.94482796E+01+7.28467840E-01+8.27351038E-02-5.79477332E-05 3
++2.10402680E-08-3.15464371E-12-1.42479989E+04+2.93605378E+01 4
+BC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.50724822E+01+2.77997156E-02-9.65221757E-06+1.51363792E-09-8.84322022E-14 2
+-2.14566893E+04-1.02780100E+02+3.29972045E-01+8.74415478E-02-6.62416953E-05 3
++2.66536336E-08-4.46547796E-12-1.29419028E+04+2.96284309E+01 4
+CC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.87876973E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.48606816E+01 4
+CC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.32505924E+01+2.95413171E-02-1.02009262E-05+1.59378181E-09-9.28733184E-14 2
+-2.24879988E+04-9.06410149E+01+3.03536899E+00+7.17597670E-02-4.27623252E-05 3
++1.26172983E-08-1.47486871E-12-1.48783197E+04+1.98514760E+01 4
+CC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.42094345E+01+2.81648927E-02-9.60770930E-06+1.48931625E-09-8.63248580E-14 2
+-2.18243231E+04-9.57217843E+01+1.41333660E-01+8.42381612E-02-5.95986819E-05 3
++2.18273225E-08-3.27602121E-12-1.34573123E+04+3.35824990E+01 4
+CC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.91953470E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.44530319E+01 4
+DC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.87876973E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.48606816E+01 4
+DC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.32505924E+01+2.95413171E-02-1.02009262E-05+1.59378181E-09-9.28733184E-14 2
+-2.24879988E+04-9.06410149E+01+3.03536899E+00+7.17597670E-02-4.27623252E-05 3
++1.26172983E-08-1.47486871E-12-1.48783197E+04+1.98514760E+01 4
+DC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.42094345E+01+2.81648927E-02-9.60770930E-06+1.48931625E-09-8.63248580E-14 2
+-2.18243231E+04-9.57217843E+01+1.41333660E-01+8.42381612E-02-5.95986819E-05 3
++2.18273225E-08-3.27602121E-12-1.34573123E+04+3.35824990E+01 4
+DC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.91953470E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.44530319E+01 4
+EC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.38327932E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.10473979E+01 4
+EC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.22730342E+01+3.03870349E-02-1.04955591E-05+1.64003275E-09-9.55755922E-14 2
+-1.98338759E+04-8.59340686E+01+3.80080251E+00+6.62643795E-02-3.49049743E-05 3
++8.19777702E-09-5.89157399E-13-1.25731075E+04+1.60518831E+01 4
+EC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.52203742E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.11013596E+01 4
+EC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.52203742E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.11013596E+01 4
+A-AC6H12O C 6H 12O 1 G 300.00 5000.00 1377.00 1
++1.99156255E+01+2.80570645E-02-9.60026024E-06+1.49237353E-09-8.67075947E-14 2
+-2.84357664E+04-8.31912688E+01-3.74279744E+00+7.97317022E-02-5.20568139E-05 3
++1.72011490E-08-2.31454215E-12-1.98116601E+04+4.52301269E+01 4
+A-BC6H12O C 6H 12O 1 G 300.00 5000.00 1389.00 1
++2.01913400E+01+2.79678511E-02-9.67421525E-06+1.51319597E-09-8.82456559E-14 2
+-3.10796342E+04-8.36582432E+01-3.10440628E+00+8.56519536E-02-6.67488731E-05 3
++2.81794043E-08-4.97055901E-12-2.31502350E+04+4.05751920E+01 4
+A-CC6H12O C 6H 12O 1 G 300.00 5000.00 1380.00 1
++2.05031109E+01+2.75383043E-02-9.41667271E-06+1.46321280E-09-8.49886231E-14 2
+-3.07733281E+04-8.60159913E+01-4.39045510E+00+8.46657004E-02-5.98461680E-05 3
++2.19749206E-08-3.34162903E-12-2.19772879E+04+4.81276344E+01 4
+A-DC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++1.83058303E+01+3.04972378E-02-1.05653766E-05+1.65434326E-09-9.65500891E-14 2
+-4.03848361E+04-7.42771902E+01-5.61084240E+00+8.62262193E-02-6.17311453E-05 3
++2.38078703E-08-3.89555631E-12-3.19060340E+04+5.44880467E+01 4
+A-EC6H12O C 6H 12O 1 G 300.00 5000.00 1367.00 1
++2.15175540E+01+2.91706121E-02-1.03353528E-05+1.64305835E-09-9.69180513E-14 2
+-4.32129219E+04-9.97465294E+01-5.11288591E+00+8.04260623E-02-4.35839293E-05 3
++9.20918058E-09-2.77875684E-13-3.28206788E+04+4.72500548E+01 4
+B-CC6H12O C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.07412761E+01+2.75290409E-02-9.52862858E-06+1.49103485E-09-8.69768921E-14 2
+-3.34094702E+04-8.76595310E+01-3.51600990E+00+8.95013099E-02-7.28932029E-05 3
++3.19466518E-08-5.77980629E-12-2.53506807E+04+4.10125601E+01 4
+B-DC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++2.03130107E+01+2.84953369E-02-9.90356879E-06+1.55407483E-09-9.08358605E-14 2
+-3.40296335E+04-8.70860300E+01-4.25089771E+00+8.77021914E-02-6.65264184E-05 3
++2.71034081E-08-4.63016987E-12-2.55266109E+04+4.44518241E+01 4
+B-EC6H12O C 6H 12O 1 G 300.00 5000.00 1382.00 1
++1.91074475E+01+2.92530040E-02-1.00249828E-05+1.55944067E-09-9.06288079E-14 2
+-4.18461500E+04-8.05464349E+01-5.34010311E+00+8.58554974E-02-6.11209923E-05 3
++2.31121032E-08-3.67533288E-12-3.31973464E+04+5.11171430E+01 4
+C-DC6H12O C 6H 12O 1 G 300.00 5000.00 1393.00 1
++2.06312589E+01+2.75569457E-02-9.52376040E-06+1.48876677E-09-8.67838672E-14 2
+-3.21756961E+04-8.58717818E+01-3.97238580E+00+9.03638157E-02-7.34283609E-05 3
++3.19635755E-08-5.73228171E-12-2.40253266E+04+4.46071744E+01 4
+C-EC6H12O C 6H 12O 1 G 300.00 5000.00 1380.00 1
++2.05031109E+01+2.75383043E-02-9.41667271E-06+1.46321280E-09-8.49886231E-14 2
+-3.07733281E+04-8.67054730E+01-4.39045510E+00+8.46657004E-02-5.98461680E-05 3
++2.19749206E-08-3.34162903E-12-2.19772879E+04+4.74381528E+01 4
+D-EC6H12O C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.00142775E+01+2.81386921E-02-9.73735947E-06+1.52346612E-09-8.88596091E-14 2
+-2.98338928E+04-8.22104850E+01-3.32594188E+00+8.54921440E-02-6.58481787E-05 3
++2.73996370E-08-4.76702147E-12-2.18606446E+04+4.23900139E+01 4
+AC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.13044805E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.81070553E+01 4
+AC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+AC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+AC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+AC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.12355324E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.87965370E+01 4
+BC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+BC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+BC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+BC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+CC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+CC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+CC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1391.00 1
++2.95169325E+01+2.88320897E-02-1.00396340E-05+1.57746976E-09-9.22879651E-14 2
+-4.24876393E+04-1.20938130E+02+6.88588952E-01+1.01595955E-01-8.28629861E-05 3
++3.56740290E-08-6.30243653E-12-3.28938019E+04+3.21757015E+01 4
+CC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+DC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+DC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+DC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1391.00 1
++2.95169325E+01+2.88320897E-02-1.00396340E-05+1.57746976E-09-9.22879651E-14 2
+-4.24876393E+04-1.20938130E+02+6.88588952E-01+1.01595955E-01-8.28629861E-05 3
++3.56740290E-08-6.30243653E-12-3.28938019E+04+3.21757015E+01 4
+DC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+EC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.12355324E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.87965370E+01 4
+EC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+EC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+EC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+IC6KETAA C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.58488852E+01+2.72976729E-02-9.51569614E-06+1.49629215E-09-8.75872376E-14 2
+-5.29010482E+04-1.02930598E+02+3.74926599E-01+8.69654251E-02-6.37599754E-05 3
++2.43624904E-08-3.85595659E-12-4.40036669E+04+3.39373300E+01 4
+IC6KETAB C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.72366376E+01+2.61665828E-02-9.13760798E-06+1.43865838E-09-8.42913377E-14 2
+-5.59713777E+04-1.13067358E+02+8.36104238E-01+8.71222904E-02-6.28537855E-05 3
++2.29996863E-08-3.41861134E-12-4.67354404E+04+2.89691344E+01 4
+IC6KETAC C 6H 12O 3 G 300.00 5000.00 1391.00 1
++2.66965176E+01+2.65460731E-02-9.24984760E-06+1.45414398E-09-8.51078553E-14 2
+-5.55104211E+04-1.07999392E+02+5.92746792E-03+9.03522036E-02-6.84252707E-05 3
++2.68135408E-08-4.31053677E-12-4.63578700E+04+3.48793797E+01 4
+IC6KETAD C 6H 12O 3 G 300.00 5000.00 1391.00 1
++2.66965176E+01+2.65460731E-02-9.24984760E-06+1.45414398E-09-8.51078553E-14 2
+-5.55104211E+04-1.07999392E+02+5.92746792E-03+9.03522036E-02-6.84252707E-05 3
++2.68135408E-08-4.31053677E-12-4.63578700E+04+3.48793797E+01 4
+IC6KETAE C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.58488852E+01+2.72976729E-02-9.51569614E-06+1.49629215E-09-8.75872376E-14 2
+-5.29010482E+04-1.02930598E+02+3.74926599E-01+8.69654251E-02-6.37599754E-05 3
++2.43624904E-08-3.85595659E-12-4.40036669E+04+3.39373300E+01 4
+IC6KETCA C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.54158893E+01+2.77142961E-02-9.66983106E-06+1.52140430E-09-8.90909745E-14 2
+-5.66695529E+04-1.00871975E+02+6.41569938E-01+8.61306622E-02-6.38040371E-05 3
++2.50715980E-08-4.12731276E-12-4.79925946E+04+3.22052414E+01 4
+IC6KETCB C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.68298718E+01+2.65743988E-02-9.29166512E-06+1.46406502E-09-8.58245747E-14 2
+-5.97543488E+04-1.11856808E+02+8.68698184E-01+8.73553612E-02-6.44754197E-05 3
++2.46810718E-08-3.90390558E-12-5.06899308E+04+2.76296921E+01 4
+IC6KETCD C 6H 12O 3 G 300.00 5000.00 1391.00 1
++2.66792669E+01+2.66782564E-02-9.32197006E-06+1.46820523E-09-8.60413011E-14 2
+-5.90485216E+04-1.09051959E+02-2.05481820E+00+9.79306262E-02-7.86642775E-05 3
++3.28512253E-08-5.60814214E-12-4.94233986E+04+4.39048904E+01 4
+IC6KETCE C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.54158893E+01+2.77142961E-02-9.66983106E-06+1.52140430E-09-8.90909745E-14 2
+-5.66695529E+04-1.01561456E+02+6.41569938E-01+8.61306622E-02-6.38040371E-05 3
++2.50715980E-08-4.12731276E-12-4.79925946E+04+3.15157597E+01 4
+IC6KETDA C 6H 12O 3 G 300.00 5000.00 1384.00 1
++2.52497489E+01+2.78620064E-02-9.72231486E-06+1.52976157E-09-8.95844320E-14 2
+-5.66360467E+04-1.00065747E+02+1.83514649E+00+8.09402473E-02-5.64766392E-05 3
++2.07650813E-08-3.21928803E-12-4.82146787E+04+2.64766089E+01 4
+IC6KETDB C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.59777118E+01+2.72538189E-02-9.51458711E-06+1.49753812E-09-8.77158651E-14 2
+-5.98077739E+04-1.06664115E+02+1.72626321E+00+8.46094492E-02-6.30145215E-05 3
++2.49960736E-08-4.16196817E-12-5.13150818E+04+2.35706116E+01 4
+IC6KETDC C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.64303679E+01+2.68827253E-02-9.39079843E-06+1.47875769E-09-8.66475606E-14 2
+-5.89666170E+04-1.07732369E+02-6.11745199E-01+9.17681500E-02-7.01346114E-05 3
++2.79014354E-08-4.57253918E-12-4.96860759E+04+3.69965420E+01 4
+IC6KETDE C 6H 12O 3 G 300.00 5000.00 1382.00 1
++2.50888983E+01+2.80399855E-02-9.79237470E-06+1.54155954E-09-9.03049561E-14 2
+-5.65924448E+04-9.88965665E+01+3.60912667E+00+7.54178344E-02-5.04991822E-05 3
++1.80269691E-08-2.76659120E-12-4.86715677E+04+1.77632445E+01 4
+IC6KETEA C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.55358096E+01+2.75241221E-02-9.58418843E-06+1.50590925E-09-8.81014540E-14 2
+-5.28763681E+04-1.00895794E+02+2.25107769E+00+8.10680080E-02-5.75889388E-05 3
++2.16285728E-08-3.41756700E-12-4.45867819E+04+2.46594756E+01 4
+IC6KETEB C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.62491576E+01+2.69378350E-02-9.38607764E-06+1.47539873E-09-8.63410992E-14 2
+-5.60444852E+04-1.07419672E+02+2.21224686E+00+8.44098088E-02-6.36457574E-05 3
++2.55733536E-08-4.29978327E-12-4.76972323E+04+2.14279571E+01 4
+IC6KETEC C 6H 12O 3 G 300.00 5000.00 1388.00 1
++2.61179757E+01+2.70167901E-02-9.40601228E-06+1.47774111E-09-8.64460947E-14 2
+-5.53643135E+04-1.05093935E+02+1.70707679E+00+8.54544631E-02-6.44512331E-05 3
++2.57780324E-08-4.29869192E-12-4.69169854E+04+2.56945670E+01 4
+IC6KETED C 6H 12O 3 G 300.00 5000.00 1370.00 1
++2.79333426E+01+2.62176323E-02-9.30277179E-06+1.48022634E-09-8.73635870E-14 2
+-5.55650583E+04-1.05709367E+02+3.94509667E+00+7.37223322E-02-4.23503736E-05 3
++1.06297496E-08-8.23353428E-13-4.63037398E+04+2.62853661E+01 4
+AC6H12OH H 13C 6O 1 G 300.00 5000.00 1383.00 1
++1.88589384E+01+3.01082092E-02-1.02608505E-05+1.58904396E-09-9.20282400E-14 2
+-2.66653056E+04-6.77508959E+01+2.90619357E+00+5.89197529E-02-2.64402860E-05 3
++3.63000767E-09+3.59958386E-13-2.02142331E+04+2.10332654E+01 4
+BC6H12OH H 13C 6O 1 G 300.00 5000.00 1389.00 1
++1.93625920E+01+2.99247433E-02-1.02489923E-05+1.59234329E-09-9.24223276E-14 2
+-2.89758960E+04-7.15907320E+01+2.27503088E+00+6.39194996E-02-3.43984268E-05 3
++8.66314272E-09-7.60664050E-13-2.23514492E+04+2.24436204E+01 4
+CC6H12OH H 13C 6O 1 G 300.00 5000.00 1393.00 1
++2.04108976E+01+2.86937403E-02-9.75365407E-06+1.50802716E-09-8.72411786E-14 2
+-2.83976970E+04-7.73133764E+01-3.71027465E-01+7.53088781E-02-4.93062368E-05 3
++1.66519291E-08-2.30160402E-12-2.09707208E+04+3.50110181E+01 4
+DC6H12OH H 13C 6O 1 G 300.00 5000.00 1378.00 1
++2.10478314E+01+2.73105222E-02-9.11622264E-06+1.39380538E-09-8.00544087E-14 2
+-2.65542518E+04-8.06613243E+01-9.37258243E-02+7.14648932E-02-4.16282189E-05 3
++1.09210643E-08-8.83235060E-13-1.87756580E+04+3.45957422E+01 4
+AO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1397.00 1
++2.39788719E+01+3.03327501E-02-1.03135333E-05+1.59444929E-09-9.22215219E-14 2
+-4.66011925E+04-9.16845072E+01+2.19803044E+00+8.38531467E-02-6.22378700E-05 3
++2.51513379E-08-4.26067518E-12-3.92047865E+04+2.45148429E+01 4
+BO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1399.00 1
++2.48156212E+01+2.96595983E-02-1.00897658E-05+1.56041039E-09-9.02759019E-14 2
+-4.90334490E+04-9.73944599E+01+1.35986533E+00+8.94425806E-02-7.03258016E-05 3
++2.98163915E-08-5.22129184E-12-4.13046962E+04+2.69425363E+01 4
+CO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1398.00 1
++2.48617108E+01+2.97714966E-02-1.01628873E-05+1.57550811E-09-9.13068629E-14 2
+-4.85661398E+04-9.73633260E+01+9.24402007E-01+8.89602470E-02-6.76215954E-05 3
++2.75082292E-08-4.63770474E-12-4.05187776E+04+3.01358348E+01 4
+DO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1396.00 1
++2.40099482E+01+3.04148777E-02-1.03671145E-05+1.60554200E-09-9.29809750E-14 2
+-4.61148094E+04-9.22250965E+01+1.70637540E+00+8.36781427E-02-6.00890572E-05 3
++2.32038462E-08-3.75613606E-12-3.84115428E+04+2.72688424E+01 4
+NC4H9CHO-2 C 5O 1H 10 G 300.00 5000.00 1391.00 1
++1.69244029E+01+2.27967487E-02-7.82457147E-06+1.21768953E-09-7.07667159E-14 2
+-3.67938100E+04-6.26596828E+01-4.69476821E-01+6.10365582E-02-3.93185264E-05 3
++1.27871427E-08-1.67312587E-12-3.04986281E+04+3.16306095E+01 4
+NC4H9CO-2 C 5H 9O 1 G 300.00 5000.00 1391.00 1
++1.65046133E+01+2.06717230E-02-7.10606869E-06+1.10703434E-09-6.43837568E-14 2
+-1.78307059E+04-5.87348799E+01+3.09679439E-01+5.62169200E-02-3.62405588E-05 3
++1.17086749E-08-1.50946127E-12-1.19711457E+04+2.90643292E+01 4
+C4H8CHO1-2 C 5H 9O 1 G 300.00 5000.00 1391.00 1
++1.64744483E+01+2.07138328E-02-7.12390788E-06+1.11013747E-09-6.45764979E-14 2
+-1.17192213E+04-5.73839435E+01+3.46935480E-01+5.62869708E-02-3.65790464E-05 3
++1.20191548E-08-1.59330793E-12-5.89336830E+03+3.00011649E+01 4
+C4H8CHO2-2 C 5H 9O 1 G 300.00 5000.00 1386.00 1
++1.66751077E+01+2.06549942E-02-7.12754811E-06+1.11313803E-09-6.48477026E-14 2
+-1.73708434E+04-6.08628338E+01+1.91588404E+00+5.23527744E-02-3.27262947E-05 3
++1.04277236E-08-1.36532577E-12-1.19042543E+04+1.94954948E+01 4
+C4H8CHO3-2 C 5H 9O 1 G 300.00 5000.00 2025.00 1
++1.46259201E+01+2.24057328E-02-7.81917608E-06+1.23707904E-09-7.28997923E-14 2
+-1.20218226E+04-4.59134789E+01+2.34261141E-01+5.39556025E-02-3.19259649E-05 3
++8.72507892E-09-8.35474916E-13-7.12477902E+03+3.16723623E+01 4
+C4H8CHO4-2 C 5H 9O 1 G 300.00 5000.00 1391.00 1
++1.64744483E+01+2.07138328E-02-7.12390788E-06+1.11013747E-09-6.45764979E-14 2
+-1.17192213E+04-5.73839435E+01+3.46935480E-01+5.62869708E-02-3.65790464E-05 3
++1.20191548E-08-1.59330793E-12-5.89336830E+03+3.00011649E+01 4
+IC4H9CHO C 5O 1H 10 G 300.00 5000.00 1383.00 1
++1.70194059E+01+2.23541546E-02-7.59760895E-06+1.17496754E-09-6.79975164E-14 2
+-3.69143302E+04-6.35871575E+01+8.61033163E-01+5.73441683E-02-3.59178644E-05 3
++1.13951893E-08-1.46205706E-12-3.09951354E+04+2.42264151E+01 4
+IC4H9CO C 5H 9O 1 G 300.00 5000.00 1381.00 1
++1.66912451E+01+2.00750158E-02-6.81146431E-06+1.05242707E-09-6.08743184E-14 2
+-1.79850312E+04-6.01715526E+01+1.62335066E+00+5.25605407E-02-3.28103015E-05 3
++1.02340893E-08-1.26866743E-12-1.24643454E+04+2.17446946E+01 4
+IC3H6CH2CHO C 5H 9O 1 G 300.00 5000.00 1379.00 1
++1.68308524E+01+1.98251371E-02-6.70063133E-06+1.03289145E-09-5.96563130E-14 2
+-1.19347938E+04-5.97602900E+01+1.62226272E+00+5.27363584E-02-3.31656280E-05 3
++1.04384787E-08-1.30786935E-12-6.37949935E+03+2.28700619E+01 4
+TC3H6CH2CHO C 5H 9O 1 G 300.00 5000.00 2007.00 1
++1.28694305E+01+2.43877237E-02-8.60077074E-06+1.36840737E-09-8.08920178E-14 2
+-1.24988438E+04-3.65810598E+01+4.51456221E+00+3.77870194E-02-1.29518975E-05 3
+-4.00055644E-10+7.37921847E-13-9.15122261E+03+1.02678013E+01 4
+IC3H7CHCHO C 5H 9O 1 G 300.00 5000.00 1390.00 1
++1.68247016E+01+2.04825673E-02-7.05877343E-06+1.10149429E-09-6.41348599E-14 2
+-1.66830714E+04-6.30167084E+01+3.71329670E-01+5.76362731E-02-3.90796092E-05 3
++1.37027563E-08-1.98345884E-12-1.08082975E+04+2.58578771E+01 4
+IC5H11CHO C 6H 12O 1 G 300.00 5000.00 1384.00 1
++2.02213198E+01+2.67705370E-02-9.10366728E-06+1.40833319E-09-8.15189632E-14 2
+-4.10189998E+04-7.93504931E+01+5.96448184E-01+6.97017613E-02-4.43706862E-05 3
++1.43995034E-08-1.90197727E-12-3.38776822E+04+2.71403402E+01 4
+IC5H11CO H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.98188304E+01+2.46169767E-02-8.37269097E-06+1.29548967E-09-7.49998110E-14 2
+-2.20623274E+04-7.55220873E+01+1.36681067E+00+6.49150520E-02-4.13267863E-05 3
++1.33304172E-08-1.73828245E-12-1.53487591E+04+2.46157767E+01 4
+AC5H10CHO H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.98177288E+01+2.46043987E-02-8.36554702E-06+1.29409596E-09-7.49077891E-14 2
+-1.59597587E+04-7.43290192E+01+1.37522507E+00+6.50985286E-02-4.18036011E-05 3
++1.36996241E-08-1.82985029E-12-9.26631430E+03+2.56887672E+01 4
+BC5H10CHO H 11C 6O 1 G 300.00 5000.00 1367.00 1
++1.82908067E+01+2.59026407E-02-8.81352457E-06+1.36402372E-09-7.89790437E-14 2
+-1.78663480E+04-6.54504237E+01+4.69657063E+00+4.76049368E-02-1.66055685E-05 3
+-1.05558524E-09+1.25802118E-12-1.20896615E+04+1.12115516E+01 4
+CC5H10CHO H 11C 6O 1 G 300.00 5000.00 1370.00 1
++1.97791361E+01+2.41036798E-02-8.09050791E-06+1.24169106E-09-7.15088157E-14 2
+-1.73655341E+04-7.36829477E+01+2.07020470E+00+5.88423981E-02-3.07237418E-05 3
++6.09963192E-09-4.14588610E-14-1.06128410E+04+2.36788016E+01 4
+DC5H10CHO H 11C 6O 1 G 300.00 5000.00 1390.00 1
++1.99907235E+01+2.49761165E-02-8.60141036E-06+1.34157728E-09-7.80872686E-14 2
+-2.07800110E+04-7.85917123E+01+1.86373573E-01+6.96553238E-02-4.70667833E-05 3
++1.64607489E-08-2.37789418E-12-1.37031871E+04+2.84004351E+01 4
+C4H7CHO2-1 C 5H 8O 1 G 300.00 5000.00 1387.00 1
++1.50265898E+01+1.98533832E-02-6.83413130E-06+1.06561288E-09-6.20117822E-14 2
+-2.05562762E+04-5.08643339E+01+4.19720449E-01+5.14338117E-02-3.24110908E-05 3
++1.03305738E-08-1.33536312E-12-1.51894369E+04+2.85525761E+01 4
+C4H7CO2-1 C 5H 7O 1 G 300.00 5000.00 1387.00 1
++1.46069636E+01+1.77278548E-02-6.11539466E-06+9.54916411E-10-5.56262722E-14 2
+-1.59318351E+03-4.69402980E+01+1.19183326E+00+4.66489693E-02-2.93898842E-05 3
++9.28937321E-09-1.18024785E-12+3.33903076E+03+2.60182626E+01 4
+C4H6CHO2-11 C 5H 7O 1 G 300.00 5000.00 1382.00 1
++1.50770441E+01+1.76352320E-02-6.15283553E-06+9.68110806E-10-5.66958265E-14 2
+-3.69027437E+03-5.25862180E+01+2.35102910E-01+4.90480953E-02-3.06247988E-05 3
++9.27600376E-09-1.08743878E-12+1.81741691E+03+2.83277222E+01 4
+NC5H11CHO-2 C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.00982291E+01+2.72817790E-02-9.36387879E-06+1.45721424E-09-8.46851264E-14 2
+-4.08938806E+04-7.82796618E+01-6.63995024E-01+7.30955033E-02-4.73492243E-05 3
++1.55631650E-08-2.07002560E-12-3.33920899E+04+3.42175340E+01 4
+NC5H11CO-2 H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.96784077E+01+2.51568048E-02-8.64540248E-06+1.34656434E-09-7.83025296E-14 2
+-2.19307480E+04-7.43546147E+01+1.16758124E-01+6.82693494E-02-4.42620972E-05 3
++1.44793001E-08-1.90521993E-12-1.48648649E+04+3.16437363E+01 4
+C5H10CHO1-2 H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.96030867E+01+2.52891123E-02-8.70536133E-06+1.35735154E-09-7.89864303E-14 2
+-1.58087615E+04-7.27643455E+01+2.50648271E-01+6.79173299E-02-4.40160471E-05 3
++1.44761571E-08-1.93001964E-12-8.80171162E+03+3.21325034E+01 4
+C5H10CHO2-2 H 11C 6O 1 G 300.00 5000.00 1387.00 1
++1.98422317E+01+2.51479748E-02-8.67006162E-06+1.35320867E-09-7.87996524E-14 2
+-2.14683129E+04-7.64444775E+01+1.73182466E+00+6.43663644E-02-4.07006946E-05 3
++1.31756525E-08-1.75720281E-12-1.47992628E+04+2.20340879E+01 4
+C5H10CHO3-2 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.52295650E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.26151874E+01 4
+C5H10CHO4-2 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.52295650E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.26151874E+01 4
+C5H10CHO5-2 H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.96030867E+01+2.52891123E-02-8.70536133E-06+1.35735154E-09-7.89864303E-14 2
+-1.58087615E+04-7.27643455E+01+2.50648271E-01+6.79173299E-02-4.40160471E-05 3
++1.44761571E-08-1.93001964E-12-8.80171162E+03+3.21325034E+01 4
+IC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1385.00 1
++1.96716027E+01+2.76137871E-02-9.47281007E-06+1.47372073E-09-8.56287665E-14 2
+-4.46968524E+04-7.70860283E+01+2.15842829E-01+6.95990530E-02-4.36127297E-05 3
++1.40149197E-08-1.85871558E-12-3.75149674E+04+2.87655890E+01 4
+IC4H9COCH2 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++2.00550742E+01+2.50289534E-02-8.64295538E-06+1.35045324E-09-7.86996381E-14 2
+-2.32692903E+04-7.96295398E+01-8.85109555E-03+7.18485099E-02-5.13644229E-05 3
++1.95806869E-08-3.14088023E-12-1.62014899E+04+2.83041302E+01 4
+IC3H6CH2COCH3 H 11C 6O 1 G 300.00 5000.00 1384.00 1
++1.92350685E+01+2.54691830E-02-8.74019579E-06+1.36010558E-09-7.90430908E-14 2
+-1.96199680E+04-7.18660640E+01+9.98048049E-01+6.49643385E-02-4.10265248E-05 3
++1.33100492E-08-1.78538338E-12-1.29033820E+04+2.73030609E+01 4
+IC3H7CHCOCH3 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++1.96562823E+01+2.54184878E-02-8.78893878E-06+1.37447968E-09-8.01497293E-14 2
+-2.45270816E+04-7.74993869E+01-2.51604981E-01+6.97141127E-02-4.63557738E-05 3
++1.59308350E-08-2.26917501E-12-1.73298735E+04+3.03076641E+01 4
+TC3H6CH2COCH3 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++1.77113032E+01+2.67601997E-02-9.18468022E-06+1.42938449E-09-8.30724009E-14 2
+-2.15275561E+04-6.30096890E+01+4.31403212E+00+4.74850997E-02-1.58404162E-05 3
+-1.44367305E-09+1.30323000E-12-1.57256666E+04+1.28475963E+01 4
+IC3H7COC2H5 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.95742624E+01+2.79153955E-02-9.62240824E-06+1.50159041E-09-8.74272923E-14 2
+-4.46495838E+04-7.64499712E+01-6.16680077E-01+7.32642523E-02-4.89979081E-05 3
++1.73849382E-08-2.61137271E-12-3.73481224E+04+3.28134678E+01 4
+IC3H6COC2H5 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++1.91427169E+01+2.57997569E-02-8.90698843E-06+1.39139804E-09-8.10704551E-14 2
+-1.95812003E+04-7.12754331E+01+1.85792567E-01+6.85681889E-02-4.63201856E-05 3
++1.66403586E-08-2.53394238E-12-1.27405850E+04+3.12500304E+01 4
+TC3H6COC2H5 H 11C 6O 1 G 300.00 5000.00 1385.00 1
++1.94096429E+01+2.56460908E-02-8.86990249E-06+1.38724701E-09-8.08943523E-14 2
+-2.52544006E+04-7.58177941E+01+1.53943727E+00+6.56302319E-02-4.39137825E-05 3
++1.59015819E-08-2.48520903E-12-1.87203799E+04+2.10366385E+01 4
+IC3H7COC2H4P H 11C 6O 1 G 300.00 5000.00 1388.00 1
++1.91427169E+01+2.57997569E-02-8.90698843E-06+1.39139804E-09-8.10704551E-14 2
+-1.95812003E+04-7.12754331E+01+1.85792567E-01+6.85681889E-02-4.63201856E-05 3
++1.66403586E-08-2.53394238E-12-1.27405850E+04+3.12500304E+01 4
+IC3H7COC2H4S H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.98203739E+01+2.53580298E-02-8.78518135E-06+1.37564474E-09-8.02875152E-14 2
+-2.45797543E+04-7.83471052E+01-1.70558101E+00+7.60903708E-02-5.54669217E-05 3
++2.13940243E-08-3.44499097E-12-1.70692585E+04+3.72359808E+01 4
+IC3H5COC2H5 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.87507788E+01+2.39971118E-02-8.28168460E-06+1.29336620E-09-7.53430880E-14 2
+-3.06311914E+04-7.17081859E+01+9.32448574E-01+6.57899872E-02-4.70608871E-05 3
++1.83043778E-08-3.03065842E-12-2.43309438E+04+2.41443648E+01 4
+AC3H4COC2H5 C 6H 9O 1 G 300.00 5000.00 1389.00 1
++1.97160567E+01+2.09105684E-02-7.28102584E-06+1.14398254E-09-6.69250385E-14 2
+-1.26601703E+04-7.73334256E+01+2.22257490E-02+6.98924485E-02-5.57441882E-05 3
++2.36923195E-08-4.16823986E-12-6.00720413E+03+2.75671654E+01 4
+IC3H5COC2H4P C 6H 9O 1 G 300.00 5000.00 1388.00 1
++1.83242746E+01+2.18703696E-02-7.56100862E-06+1.18221142E-09-6.89246734E-14 2
+-5.56408662E+03-6.65602309E+01+1.73482909E+00+6.10899133E-02-4.43710538E-05 3
++1.75466750E-08-2.94922111E-12+2.76716397E+02+2.25822178E+01 4
+IC3H5COC2H4S C 6H 9O 1 G 300.00 5000.00 1391.00 1
++1.89823944E+01+2.13803288E-02-7.40835524E-06+1.16018120E-09-6.77175714E-14 2
+-1.05407468E+04-7.34787496E+01+3.03036638E-01+6.64634913E-02-5.02432600E-05 3
++2.02128668E-08-3.38770724E-12-4.11851053E+03+2.64622328E+01 4
+IC3H7COCH3 C 5O 1H 10 G 300.00 5000.00 1389.00 1
++1.66064519E+01+2.32019647E-02-7.99419096E-06+1.24726904E-09-7.26144595E-14 2
+-4.05445159E+04-6.23441565E+01-9.31815420E-01+6.11577694E-02-3.86369073E-05 3
++1.22337141E-08-1.55133066E-12-3.41205261E+04+3.29700276E+01 4
+IC3H7COCH2 C 5H 9O 1 G 300.00 5000.00 1392.00 1
++1.71358006E+01+2.04135931E-02-7.07825623E-06+1.10904867E-09-6.47575444E-14 2
+-1.91759763E+04-6.57203548E+01-1.39438834E+00+6.43760252E-02-4.76105491E-05 3
++1.84219134E-08-2.94771401E-12-1.27695653E+04+3.36240984E+01 4
+IC3H6COCH3 C 5H 9O 1 G 300.00 5000.00 1388.00 1
++1.61723542E+01+2.12415058E-02-7.36560280E-06+1.15405451E-09-6.73833225E-14 2
+-1.55092968E+04-5.72444093E+01-4.44749274E-01+5.79587426E-02-3.82556215E-05 3
++1.30231961E-08-1.83858852E-12-9.46805936E+03+3.28465446E+01 4
+TC3H6COCH3 C 5H 9O 1 G 300.00 5000.00 1384.00 1
++1.63530510E+01+2.10676490E-02-7.30082755E-06+1.14341930E-09-6.67420849E-14 2
+-2.11207671E+04-6.12189536E+01+1.49496642E+00+5.23112685E-02-3.18357357E-05 3
++9.76462981E-09-1.22303232E-12-1.55329086E+04+1.99445543E+01 4
+C5H91-2 C 5H 9 G 300.00 5000.00 1390.00 1
++1.39474859E+01+2.04521287E-02-6.96967387E-06+1.07931978E-09-6.25066129E-14 2
++1.90755987E+04-4.67176900E+01+7.12538388E-01+4.89480531E-02-2.99536208E-05 3
++9.37086243E-09-1.19699264E-12+2.39583024E+04+2.52948336E+01 4
+IC5H8 C 5H 8 G 300.00 5000.00 1397.00 1
++1.44434478E+01+1.79881464E-02-6.13571042E-06+9.50663040E-10-5.50722345E-14 2
++2.24578329E+03-5.33800482E+01-1.11131238E+00+5.91227821E-02-4.93559208E-05 3
++2.20613521E-08-4.02420818E-12+7.23728071E+03+2.85722066E+01 4
+IC5H7 C 5H 7 G 300.00 5000.00 1400.00 1
++1.48523478E+01+1.55764392E-02-5.31690304E-06+8.24223820E-10-4.77657150E-14 2
++2.04956443E+04-5.57447845E+01-2.02197006E+00+6.36290064E-02-5.92705516E-05 3
++2.85610470E-08-5.45166203E-12+2.55520226E+04+3.19175495E+01 4
+IC5H7O C 5H 7O 1 G 300.00 5000.00 1400.00 1
++1.62444018E+01+1.64622833E-02-5.61159358E-06+8.69195043E-10-5.03459699E-14 2
++1.04712677E+04-5.86535026E+01+1.85980968E-02+5.95559487E-02-5.06312537E-05 3
++2.25692249E-08-4.06207685E-12+1.56080849E+04+2.66826190E+01 4
+C4H5 H 5C 4 G 300.00 3000.00 1000.00 1
++1.02290920E+01+9.48501380E-03-9.04064450E-08-1.25961000E-09+2.47814680E-13 2
++3.46428120E+04-2.85645290E+01-1.99329000E-02+3.80056720E-02-2.75594500E-05 3
++7.78355510E-09+4.02093830E-13+3.74962230E+04+2.43942410E+01 4
+IC4H7-I1 C 4H 7 G 300.00 5000.00 1389.00 1
++1.10957600E+01+1.57810049E-02-5.38419615E-06+8.34360121E-10-4.83401481E-14 2
++2.24175827E+04-3.40426822E+01+1.87632434E+00+3.54486107E-02-2.13104949E-05 3
++6.73400492E-09-9.03166339E-13+2.58712914E+04+1.62429161E+01 4
+C7H16-24 H 16C 7 G 300.00 5000.00 1391.00 1
++2.22587834E+01+3.52460342E-02-1.21165333E-05+1.88731524E-09-1.09741951E-13 2
+-3.66865565E+04-9.49273295E+01-2.25657881E+00+8.93437536E-02-5.76290654E-05 3
++1.93991731E-08-2.72881106E-12-2.77531748E+04+3.80308727E+01 4
+XC7H15 H 15C 7 G 300.00 5000.00 1391.00 1
++2.18442431E+01+3.30970511E-02-1.13855507E-05+1.77428049E-09-1.03203205E-13 2
+-1.16221052E+04-8.98480981E+01-1.48792779E+00+8.47935030E-02-5.51477546E-05 3
++1.87561345E-08-2.66966132E-12-3.14049112E+03+3.66194993E+01 4
+YC7H15 H 15C 7 G 300.00 5000.00 1384.00 1
++2.04581471E+01+3.43076361E-02-1.18102635E-05+1.84129611E-09-1.07133806E-13 2
+-1.34978774E+04-8.18212264E+01+1.30897106E+00+6.96136442E-02-3.31150057E-05 3
++5.82888256E-09+3.54427314E-14-5.78512513E+03+2.45658235E+01 4
+ZC7H15 H 15C 7 G 300.00 5000.00 1388.00 1
++2.14125023E+01+3.31721888E-02-1.13499859E-05+1.76256438E-09-1.02279053E-13 2
+-1.28665096E+04-8.69738045E+01-1.20411785E+00+8.05601821E-02-4.75710195E-05 3
++1.36213268E-08-1.47301903E-12-4.42797757E+03+3.64892374E+01 4
+XC7H14 H 14C 7 G 300.00 5000.00 1392.00 1
++2.10164030E+01+3.15214597E-02-1.08073947E-05+1.68040191E-09-9.75892313E-14 2
+-2.12117050E+04-8.63818785E+01-1.33081497E+00+8.21082352E-02-5.49123303E-05 3
++1.94284948E-08-2.88886542E-12-1.32021384E+04+3.43549746E+01 4
+YC7H14 H 14C 7 G 300.00 5000.00 1392.00 1
++2.05074323E+01+3.19644167E-02-1.09618778E-05+1.70463736E-09-9.90036120E-14 2
+-2.23945609E+04-8.39266561E+01-8.42232649E-01+7.89798297E-02-5.04574475E-05 3
++1.68934048E-08-2.37201987E-12-1.45971538E+04+3.19096189E+01 4
+XC7H13-X1 H 13C 7 G 300.00 5000.00 1395.00 1
++2.14417898E+01+2.90951798E-02-9.98351421E-06+1.55317233E-09-9.02369517E-14 2
+-2.99153492E+03-8.88433445E+01-2.29007165E+00+8.67901762E-02-6.50308381E-05 3
++2.60293741E-08-4.33490360E-12+5.10076243E+03+3.79380624E+01 4
+XC7H13-Z H 13C 7 G 300.00 5000.00 1392.00 1
++2.06194069E+01+2.98279790E-02-1.02443684E-05+1.59476927E-09-9.26958038E-14 2
+-4.13779765E+03-8.54759101E+01-1.64635315E+00+8.04509949E-02-5.44891453E-05 3
++1.93900770E-08-2.88082382E-12+3.80138821E+03+3.47109409E+01 4
+XC7H13-X2 H 13C 7 G 300.00 5000.00 1392.00 1
++2.06333635E+01+2.93596738E-02-1.00751188E-05+1.56749343E-09-9.10712060E-14 2
++3.81709053E+03-8.14872912E+01-6.81487817E-01+7.81587844E-02-5.33415630E-05 3
++1.93596117E-08-2.95878717E-12+1.14062580E+04+3.34850181E+01 4
+XC7H13-Y2 H 13C 7 G 300.00 5000.00 1384.00 1
++1.90334388E+01+3.07312993E-02-1.05503266E-05+1.64182432E-09-9.54035635E-14 2
++2.04280444E+03-7.21904286E+01+2.75611600E+00+6.00861401E-02-2.73082667E-05 3
++4.10488099E-09+2.37051604E-13+8.66819644E+03+1.84800966E+01 4
+YC7H13-Y2 H 13C 7 G 300.00 5000.00 1389.00 1
++1.96153468E+01+3.07074105E-02-1.05530468E-05+1.64345959E-09-9.55499728E-14 2
+-6.29650914E+03-8.09254914E+01-3.06783292E-01+7.20691145E-02-4.20233916E-05 3
++1.20050088E-08-1.32605214E-12+1.21727364E+03+2.80339431E+01 4
+YC7H13-X2 H 13C 7 G 300.00 5000.00 1392.00 1
++2.00933242E+01+2.98145345E-02-1.02304735E-05+1.59152568E-09-9.24599545E-14 2
++2.64933003E+03-7.88503811E+01-7.91768575E-02+7.44508349E-02-4.80063873E-05 3
++1.62687796E-08-2.31692063E-12+9.99635526E+03+3.05249774E+01 4
+XC7H13O-Z H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.44947643E+01+2.76331607E-02-9.27884306E-06+1.42378456E-09-8.19634936E-14 2
+-1.56065414E+04-1.01342872E+02-2.29755615E+00+9.42066780E-02-7.32881979E-05 3
++2.96623011E-08-4.88038965E-12-6.75095244E+03+4.10526275E+01 4
+YC7H13O-Y2 H 13O 1C 7 G 300.00 5000.00 1391.00 1
++2.44895570E+01+2.72499278E-02-9.06880008E-06+1.38347877E-09-7.93299137E-14 2
+-1.87690928E+04-1.02028362E+02-7.27101657E-01+8.87136384E-02-6.66483821E-05 3
++2.60146126E-08-4.12941257E-12-1.03333355E+04+3.23860863E+01 4
+XC7H15O2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.56414129E+01+3.47282720E-02-1.19896068E-05+1.87291322E-09-1.09123152E-13 2
+-3.07410559E+04-1.04954825E+02-3.84752007E-02+9.34559105E-02-6.43540160E-05 3
++2.37092902E-08-3.70460189E-12-2.15504468E+04+3.36546874E+01 4
+YC7H15O2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.63777368E+01+3.40995934E-02-1.17718548E-05+1.83881800E-09-1.07133205E-13 2
+-3.39133584E+04-1.11594572E+02-1.76194227E-01+9.72567634E-02-7.10835784E-05 3
++2.80486966E-08-4.66877903E-12-2.46466146E+04+3.08813371E+01 4
+ZC7H15O2 H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.63546014E+01+3.40976129E-02-1.17666253E-05+1.83754787E-09-1.07041520E-13 2
+-3.32966218E+04-1.10629431E+02-1.09410159E+00+9.99287589E-02-7.39793556E-05 3
++2.94068415E-08-4.90156423E-12-2.37993417E+04+3.64080629E+01 4
+XC7H15O2H H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.81216777E+01+3.48595780E-02-1.20626646E-05+1.88740293E-09-1.10097870E-13 2
+-4.86610859E+04-1.19350859E+02-1.07998201E+00+1.02632930E-01-7.30114235E-05 3
++2.72817863E-08-4.24730414E-12-3.83873878E+04+3.77857109E+01 4
+YC7H15O2H H 16O 2C 7 G 300.00 5000.00 1391.00 1
++2.88447004E+01+3.42584124E-02-1.18579214E-05+1.85569904E-09-1.08261580E-13 2
+-5.18320516E+04-1.25923739E+02-1.20161039E+00+1.06345258E-01-7.96123831E-05 3
++3.15543609E-08-5.19979696E-12-4.14854280E+04+3.49419277E+01 4
+ZC7H15O2H H 16O 2C 7 G 300.00 5000.00 1392.00 1
++2.88229476E+01+3.43227287E-02-1.18901707E-05+1.86177460E-09-1.08657283E-13 2
+-5.12136411E+04-1.24971491E+02-2.58640712E+00+1.11560622E-01-8.67188425E-05 3
++3.57207770E-08-6.08505338E-12-4.05800374E+04+4.25341257E+01 4
+XC7H15O H 15O 1C 7 G 300.00 5000.00 1394.00 1
++2.41616909E+01+3.32639410E-02-1.13554345E-05+1.76073607E-09-1.02065780E-13 2
+-2.89036843E+04-9.99171927E+01-2.12392457E+00+9.42337139E-02-6.56213910E-05 3
++2.38766720E-08-3.58807400E-12-1.97093497E+04+4.14440060E+01 4
+YC7H15O H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.47809281E+01+3.28455378E-02-1.12333696E-05+1.74388123E-09-1.01169596E-13 2
+-3.24443314E+04-1.05462269E+02-2.14864865E+00+9.76137225E-02-7.19206795E-05 3
++2.80967216E-08-4.55397977E-12-2.32266835E+04+3.85922413E+01 4
+ZC7H15O H 15O 1C 7 G 300.00 5000.00 1394.00 1
++2.45898334E+01+3.33410501E-02-1.14764761E-05+1.78922434E-09-1.04105238E-13 2
+-3.12830956E+04-1.04155336E+02-2.84044982E+00+9.93875924E-02-7.37966239E-05 3
++2.91964205E-08-4.81215712E-12-2.18617942E+04+4.26176405E+01 4
+XC7H14OOH-X1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.76866934E+01+3.27519448E-02-1.13511515E-05+1.77794106E-09-1.03788494E-13 2
+-2.35926173E+04-1.14159415E+02-2.51727235E-01+9.78145920E-02-7.01472152E-05 3
++2.64234133E-08-4.14539753E-12-1.37835369E+04+3.61045018E+01 4
+XC7H14OOH-Y1 H 15O 2C 7 G 300.00 5000.00 1384.00 1
++2.61414592E+01+3.40778275E-02-1.18110807E-05+1.84996634E-09-1.07990658E-13 2
+-2.53953124E+04-1.04497256E+02+2.95681082E+00+8.07846396E-02-4.56461631E-05 3
++1.21120567E-08-1.15794225E-12-1.64878756E+04+2.28485210E+01 4
+XC7H14OOH-Z H 15O 2C 7 G 300.00 5000.00 1386.00 1
++2.76489022E+01+3.21124316E-02-1.09907912E-05+1.70782491E-09-9.91661874E-14 2
+-2.49553598E+04-1.13432329E+02-2.95763440E-01+9.48248078E-02-6.38882580E-05 3
++2.16789885E-08-2.95322694E-12-1.50176743E+04+3.75215127E+01 4
+XC7H14OOH-Y2 H 15O 2C 7 G 300.00 5000.00 1384.00 1
++2.61414592E+01+3.40778275E-02-1.18110807E-05+1.84996634E-09-1.07990658E-13 2
+-2.53953124E+04-1.04497256E+02+2.95681082E+00+8.07846396E-02-4.56461631E-05 3
++1.21120567E-08-1.15794225E-12-1.64878756E+04+2.28485210E+01 4
+XC7H14OOH-X2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.76866934E+01+3.27519448E-02-1.13511515E-05+1.77794106E-09-1.03788494E-13 2
+-2.35926173E+04-1.14159415E+02-2.51727235E-01+9.78145920E-02-7.01472152E-05 3
++2.64234133E-08-4.14539753E-12-1.37835369E+04+3.61045018E+01 4
+YC7H14OOH-X1 H 15O 2C 7 G 300.00 5000.00 1391.00 1
++2.84263901E+01+3.21157100E-02-1.11297910E-05+1.74318113E-09-1.01755830E-13 2
+-2.67666014E+04-1.20824059E+02-4.18454720E-01+1.01727305E-01-7.70306053E-05 3
++3.08511142E-08-5.12782774E-12-1.68748345E+04+3.34641392E+01 4
+YC7H14OOH-Z H 15O 2C 7 G 300.00 5000.00 1387.00 1
++2.84317632E+01+3.13846101E-02-1.07271569E-05+1.66546594E-09-9.66539919E-14 2
+-2.81425544E+04-1.20322658E+02-4.53555924E-01+9.86867641E-02-7.06903916E-05 3
++2.60354449E-08-3.91550543E-12-1.81099665E+04+3.48473860E+01 4
+YC7H14OOH-Y2 H 15O 2C 7 G 300.00 5000.00 1385.00 1
++2.68731550E+01+3.34845150E-02-1.16124145E-05+1.81956167E-09-1.06244196E-13 2
+-2.85750405E+04-1.11134463E+02+2.66995736E+00+8.52276202E-02-5.33279784E-05 3
++1.70579835E-08-2.26030253E-12-1.95608398E+04+2.07706674E+01 4
+YC7H14OOH-X2 H 15O 2C 7 G 300.00 5000.00 1391.00 1
++2.84263901E+01+3.21157100E-02-1.11297910E-05+1.74318113E-09-1.01755830E-13 2
+-2.67666014E+04-1.20824059E+02-4.18454720E-01+1.01727305E-01-7.70306053E-05 3
++3.08511142E-08-5.12782774E-12-1.68748345E+04+3.34641392E+01 4
+ZC7H14OOH-X H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.85250212E+01+3.20467109E-02-1.11097617E-05+1.74048822E-09-1.01617868E-13 2
+-2.62116897E+04-1.20590636E+02-1.21852743E+00+1.03879517E-01-7.89028432E-05 3
++3.14758860E-08-5.18634373E-12-1.60472671E+04+3.84351061E+01 4
+ZC7H14OOH-Y H 15O 2C 7 G 300.00 5000.00 1386.00 1
++2.71410520E+01+3.32303001E-02-1.15196486E-05+1.80462020E-09-1.05357677E-13 2
+-2.80696357E+04-1.11832960E+02+2.16826305E+00+8.62685635E-02-5.33544912E-05 3
++1.63970010E-08-2.00930691E-12-1.87867536E+04+2.43016302E+01 4
+XC7H14OOH-X1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.15322755E+01+3.44371244E-02-1.19956214E-05+1.88521208E-09-1.10307538E-13 2
+-4.27760338E+04-1.29648751E+02+9.60077795E-01+1.07424861E-01-8.07155479E-05 3
++3.22915945E-08-5.40466748E-12-3.21544359E+04+3.42589712E+01 4
+XC7H14OOH-X2O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.15322755E+01+3.44371244E-02-1.19956214E-05+1.88521208E-09-1.10307538E-13 2
+-4.27760338E+04-1.29648751E+02+9.60077795E-01+1.07424861E-01-8.07155479E-05 3
++3.22915945E-08-5.40466748E-12-3.21544359E+04+3.42589712E+01 4
+XC7H14OOH-Y1O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+XC7H14OOH-Y2O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+XC7H14OOH-ZO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.22331834E+01+3.37949275E-02-1.17636766E-05+1.84791914E-09-1.08091994E-13 2
+-4.53115547E+04-1.34526043E+02+2.62221649E-01+1.12421430E-01-8.82148153E-05 3
++3.66846463E-08-6.31390293E-12-3.44607256E+04+3.60200098E+01 4
+YC7H14OOH-X1O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+YC7H14OOH-X2O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+YC7H14OOH-Y2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.29900436E+01+3.31872151E-02-1.15615317E-05+1.81712155E-09-1.06328553E-13 2
+-4.91154944E+04-1.42843619E+02+7.69727874E-01+1.14558604E-01-9.34126077E-05 3
++4.04699984E-08-7.21791782E-12-3.83571393E+04+2.83373178E+01 4
+YC7H14OOH-ZO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.29254056E+01+3.31981348E-02-1.15556227E-05+1.81519676E-09-1.06176106E-13 2
+-4.84651957E+04-1.40908316E+02+1.85907885E-01+1.15895777E-01-9.44923584E-05 3
++4.07632596E-08-7.22335853E-12-3.75641932E+04+3.29762499E+01 4
+ZC7H14OOH-XO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.22331834E+01+3.37949275E-02-1.17636766E-05+1.84791914E-09-1.08091994E-13 2
+-4.53115547E+04-1.34526043E+02+2.62221649E-01+1.12421430E-01-8.82148153E-05 3
++3.66846463E-08-6.31390293E-12-3.44607256E+04+3.60200098E+01 4
+ZC7H14OOH-YO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.29254056E+01+3.31981348E-02-1.15556227E-05+1.81519676E-09-1.06176106E-13 2
+-4.84651957E+04-1.40908316E+02+1.85907885E-01+1.15895777E-01-9.44923584E-05 3
++4.07632596E-08-7.22335853E-12-3.75641932E+04+3.29762499E+01 4
+X-X1C7H14O H 14O 1C 7 G 300.00 5000.00 1396.00 1
++2.26665402E+01+3.28947065E-02-1.12431532E-05+1.74493332E-09-1.01220189E-13 2
+-3.38478263E+04-9.69401657E+01-5.93233379E+00+9.96147343E-02-7.05301783E-05 3
++2.56339002E-08-3.78592163E-12-2.39466812E+04+5.66181792E+01 4
+X-X2C7H14O H 14O 1C 7 G 300.00 5000.00 1393.00 1
++2.27906942E+01+3.39393031E-02-1.16718767E-05+1.81912714E-09-1.05839343E-13 2
+-4.65745416E+04-1.04541368E+02-8.42909188E+00+1.05647860E-01-7.39367542E-05 3
++2.61424000E-08-3.71654327E-12-3.56658262E+04+6.34695107E+01 4
+X-Y1C7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.39939903E+01+3.14792359E-02-1.07826081E-05+1.67573435E-09-9.72935479E-14 2
+-3.65173057E+04-1.03924708E+02-4.16787595E+00+9.99803184E-02-7.54665578E-05 3
++2.98407957E-08-4.84556052E-12-2.69997568E+04+4.63736105E+01 4
+X-Y2C7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.27255338E+01+3.32678588E-02-1.13715614E-05+1.76494537E-09-1.02384190E-13 2
+-4.74801924E+04-1.00170531E+02-7.91193918E+00+1.07366742E-01-8.04748615E-05 3
++3.12951872E-08-4.96683838E-12-3.71265521E+04+6.34185869E+01 4
+X-ZC7H14O H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.30507052E+01+3.27569243E-02-1.12344217E-05+1.74738309E-09-1.01510008E-13 2
+-3.61254713E+04-1.00035198E+02-6.17862835E+00+1.02848356E-01-7.59942354E-05 3
++2.91603851E-08-4.57622862E-12-2.61745897E+04+5.62691178E+01 4
+Y-YC7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.39674197E+01+3.19629086E-02-1.09575314E-05+1.70388263E-09-9.89667798E-14 2
+-4.09521819E+04-1.07004135E+02-6.12471972E+00+1.06936922E-01-8.38262727E-05 3
++3.44195785E-08-5.77838259E-12-3.09582104E+04+5.29684725E+01 4
+Y-ZC7H14O H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.45279841E+01+3.11656013E-02-1.07038606E-05+1.66638951E-09-9.68649509E-14 2
+-3.88685243E+04-1.07909911E+02-4.91085052E+00+1.05210433E-01-8.35686401E-05 3
++3.48335772E-08-5.93251290E-12-2.91477688E+04+4.83640609E+01 4
+C7KET24XX1 H 14O 3C 7 G 300.00 5000.00 1390.00 1
++2.91773205E+01+3.16574729E-02-1.10131609E-05+1.72942809E-09-1.01139477E-13 2
+-5.82061964E+04-1.20841473E+02-3.70842437E-01+1.01207029E-01-7.44929029E-05 3
++2.85454154E-08-4.51955286E-12-4.79358937E+04+3.77687030E+01 4
+C7KET24XY1 H 14O 3C 7 G 300.00 5000.00 1391.00 1
++3.05986062E+01+3.04830919E-02-1.06169237E-05+1.66863133E-09-9.76462072E-14 2
+-6.12856877E+04-1.31157962E+02+6.41882798E-03+1.01759566E-01-7.41285910E-05 3
++2.74791897E-08-4.13984783E-12-5.06560053E+04+3.31872703E+01 4
+C7KET24XZ H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.00499738E+01+3.09109258E-02-1.07549224E-05+1.68908229E-09-9.87900071E-14 2
+-6.08371300E+04-1.26080160E+02-1.14060367E+00+1.06356265E-01-8.17595796E-05 3
++3.26105395E-08-5.33201882E-12-5.02289831E+04+4.05757595E+01 4
+C7KET24XY2 H 14O 3C 7 G 300.00 5000.00 1391.00 1
++2.99220507E+01+3.10354540E-02-1.08007132E-05+1.69647016E-09-9.92281409E-14 2
+-6.13838880E+04-1.26847399E+02-6.22798600E-01+1.05547947E-01-8.20361319E-05 3
++3.33950559E-08-5.59748012E-12-5.10157719E+04+3.62065727E+01 4
+C7KET24XX2 H 14O 3C 7 G 300.00 5000.00 1390.00 1
++2.91773205E+01+3.16574729E-02-1.10131609E-05+1.72942809E-09-1.01139477E-13 2
+-5.82061964E+04-1.20151991E+02-3.70842437E-01+1.01207029E-01-7.44929029E-05 3
++2.85454154E-08-4.51955286E-12-4.79358937E+04+3.84581846E+01 4
+C7KET24ZX H 14O 3C 7 G 300.00 5000.00 1390.00 1
++2.92298738E+01+3.17211520E-02-1.10600349E-05+1.73941402E-09-1.01831297E-13 2
+-6.20924140E+04-1.21861626E+02-2.08943567E+00+1.06507904E-01-8.05300329E-05 3
++3.16495195E-08-5.12149728E-12-5.13207242E+04+4.58648718E+01 4
+C7KET24ZY H 14O 3C 7 G 300.00 5000.00 1391.00 1
++3.07201914E+01+3.05414582E-02-1.06739606E-05+1.68146856E-09-9.85557204E-14 2
+-6.52233218E+04-1.33320723E+02-1.81246994E+00+1.07397367E-01-8.04619526E-05 3
++3.07120590E-08-4.76647747E-12-5.40235336E+04+4.10770246E+01 4
+XC7H14OH H 15O 1C 7 G 300.00 5000.00 1386.00 1
++2.22783263E+01+3.43327362E-02-1.16997135E-05+1.81185921E-09-1.04934239E-13 2
+-3.19677719E+04-8.54790118E+01+1.88943975E+00+7.43381040E-02-3.88094379E-05 3
++8.74062545E-09-4.92170854E-13-2.40700279E+04+2.68171689E+01 4
+YC7H14OH H 15O 1C 7 G 300.00 5000.00 1389.00 1
++2.27293371E+01+3.43645876E-02-1.17989857E-05+1.83627381E-09-1.06708101E-13 2
+-3.42895016E+04-9.04748301E+01+1.36660349E+00+7.90423499E-02-4.65478027E-05 3
++1.38397859E-08-1.67038637E-12-2.62284524E+04+2.63092261E+01 4
+XO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1397.00 1
++2.73863988E+01+3.45662399E-02-1.17551163E-05+1.81764080E-09-1.05147179E-13 2
+-5.18970846E+04-1.10029790E+02+1.19975843E+00+9.92007500E-02-7.45281247E-05 3
++3.02238575E-08-5.10583956E-12-4.30635722E+04+2.95218725E+01 4
+YO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1399.00 1
++2.82113574E+01+3.39628072E-02-1.15682001E-05+1.79065554E-09-1.03663938E-13 2
+-5.43388441E+04-1.15707359E+02+4.75540024E-01+1.04224433E-01-8.16974991E-05 3
++3.43215207E-08-5.94520562E-12-4.51793605E+04+3.14329685E+01 4
+ACC6H10 C 6H 10 G 300.00 5000.00 1395.00 1
++1.71179863E+01+2.28897637E-02-7.81690438E-06+1.21213325E-09-7.02598741E-14 2
+-3.26888037E+03-6.66240298E+01-7.62523956E-01+6.76164058E-02-5.21691523E-05 3
++2.17987069E-08-3.79061510E-12+2.72970447E+03+2.84975422E+01 4
+ACC6H9-A C 6H 9 G 300.00 5000.00 1398.00 1
++1.75340261E+01+2.04761944E-02-6.99836000E-06+1.08582750E-09-6.29648075E-14 2
++1.49755134E+04-6.90316659E+01-1.70849840E+00+7.22432674E-02-6.22150506E-05 3
++2.83599259E-08-5.22870348E-12+2.10506573E+04+3.20184824E+01 4
+ACC6H9-D C 6H 9 G 300.00 5000.00 1398.00 1
++1.75340261E+01+2.04761944E-02-6.99836000E-06+1.08582750E-09-6.29648075E-14 2
++1.49755134E+04-6.90316659E+01-1.70849840E+00+7.22432674E-02-6.22150506E-05 3
++2.83599259E-08-5.22870348E-12+2.10506573E+04+3.20184824E+01 4
+NEOC5H12 C 5H 12 G 300.00 5000.00 1380.00 1
++1.27806765E+01+3.70070524E-02-1.45062377E-05+2.44060047E-09-1.48999316E-13 2
+-2.88309615E+04-5.30464429E+01+5.02070151E+00+3.12645024E-02+1.44944421E-05 3
+-1.94266921E-08+4.79323580E-12-2.31797674E+04-1.95757948E+00 4
+NEOC5H11 H 11C 5 G 300.00 5000.00 1449.00 1
++2.03101659E+01+2.14646697E-02-7.72125763E-06+1.23982682E-09-7.36407564E-14 2
+-6.45138607E+03-9.01108572E+01+3.39222761E+00+3.54069089E-02+1.20020080E-05 3
+-2.34112635E-08+6.79995937E-12+1.81088321E+03+9.54432517E+00 4
+NEOC5H11O2H C 5O 2H 12 G 300.00 5000.00 1393.00 1
++2.30055594E+01+2.48094574E-02-8.60476532E-06+1.34851605E-09-7.87533536E-14 2
+-4.11576544E+04-9.75546111E+01-1.35552468E+00+8.40709229E-02-6.47631200E-05 3
++2.59805766E-08-4.27483246E-12-3.29053072E+04+3.24915628E+01 4
+NEOC5H11O2 H 11C 5O 2 G 300.00 5000.00 1392.00 1
++2.05483317E+01+2.46304650E-02-8.50918788E-06+1.32989124E-09-7.75131681E-14 2
+-2.32426335E+04-8.32803718E+01-3.91775516E-01+7.52300028E-02-5.65787545E-05 3
++2.26724856E-08-3.78445370E-12-1.60564398E+04+2.87221556E+01 4
+NEOC5H11O H 11C 5O 1 G 300.00 5000.00 1399.00 1
++1.91195281E+01+2.30837786E-02-7.83941709E-06+1.21152000E-09-7.00727365E-14 2
+-2.14257999E+04-7.85283647E+01-2.41265702E+00+7.56872456E-02-5.73116804E-05 3
++2.24731318E-08-3.58123651E-12-1.42243837E+04+3.62184819E+01 4
+NEOC5H10OOH H 11C 5O 2 G 300.00 5000.00 1393.00 1
++2.25938496E+01+2.26535559E-02-7.87044393E-06+1.23486461E-09-7.21749471E-14 2
+-1.60940953E+04-9.13887696E+01-6.05220938E-01+7.95912576E-02-6.23765713E-05 3
++2.53893962E-08-4.22581104E-12-8.28955104E+03+3.22696177E+01 4
+NEO-C5H10O C 5O 1H 10 G 300.00 5000.00 1403.00 1
++1.76460110E+01+2.26810717E-02-7.71282279E-06+1.19323852E-09-6.90742459E-14 2
+-2.67804002E+04-7.31948416E+01-6.21847733E+00+8.10795749E-02-6.22501526E-05 3
++2.42500217E-08-3.78360032E-12-1.88653812E+04+5.38517819E+01 4
+NEOC5H10OOH-O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.64382058E+01+2.43196513E-02-8.50395001E-06+1.33997386E-09-7.85500831E-14 2
+-3.52730137E+04-1.07549044E+02+7.25192782E-01+8.86390464E-02-7.20740991E-05 3
++3.06945725E-08-5.35625298E-12-2.66774545E+04+2.91925393E+01 4
+NEOC5H9Q2 H 11C 5O 4 G 300.00 5000.00 1390.00 1
++2.84924817E+01+2.23169431E-02-7.85239093E-06+1.24255070E-09-7.30566568E-14 2
+-2.81259185E+04-1.16798635E+02+5.36224909E-01+9.28531598E-02-7.76106867E-05 3
++3.32225137E-08-5.75083671E-12-1.89132804E+04+3.15372433E+01 4
+NEOC5H9Q2-N H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.84283606E+01+2.23619635E-02-7.86547442E-06+1.24430912E-09-7.31466295E-14 2
+-3.05855190E+04-1.16031982E+02+2.05191235E+00+8.76308565E-02-7.11248833E-05 3
++2.97224410E-08-5.05675432E-12-2.17504634E+04+2.44010834E+01 4
+NEOC5KET C 5O 3H 10 G 300.00 5000.00 1392.00 1
++2.41117737E+01+2.15583159E-02-7.53756458E-06+1.18774259E-09-6.96319686E-14 2
+-5.03865650E+04-9.82600424E+01-2.93866665E-01+8.08589203E-02-6.33447432E-05 3
++2.53685892E-08-4.12504952E-12-4.21493526E+04+3.19875845E+01 4
+NEOC5KETOX C 5O 2H 9 G 300.00 5000.00 1397.00 1
++2.02085594E+01+1.98922444E-02-6.80238854E-06+1.05642957E-09-6.13207764E-14 2
+-3.06516733E+04-7.91464968E+01-1.28848119E+00+7.23078481E-02-5.57421308E-05 3
++2.18319155E-08-3.43735834E-12-2.34809037E+04+3.54017618E+01 4
+NEOC5KEJOL C 5O 2H 9 G 300.00 5000.00 1398.00 1
++1.98786165E+01+1.96143658E-02-6.67699815E-06+1.03377708E-09-5.98769869E-14 2
+-3.79829779E+04-7.56009507E+01-5.89078395E-01+6.96251860E-02-5.34739597E-05 3
++2.09396311E-08-3.29975554E-12-3.11678008E+04+3.34219207E+01 4
+IC4H6Q2-II C 4O 4H 8 G 300.00 5000.00 1395.00 1
++2.24051581E+01+1.75562429E-02-6.07364156E-06+9.50166957E-10-5.54197350E-14 2
+-3.21818575E+04-8.09661209E+01+5.23327960E+00+6.08735678E-02-4.90787099E-05 3
++2.07966368E-08-3.60550230E-12-2.64988062E+04+1.01881862E+01 4
+NEOC6H14 H 14C 6 G 300.00 5000.00 1397.00 1
++2.06883286E+01+2.88781796E-02-9.81789236E-06+1.51824834E-09-8.78482687E-14 2
+-3.33494682E+04-8.99844746E+01-3.12747832E+00+8.44727715E-02-5.93030427E-05 3
++2.15157398E-08-3.18466066E-12-2.51021282E+04+3.78888101E+01 4
+FC6H13 H 13C 6 G 300.00 5000.00 1397.00 1
++2.02634240E+01+2.67379786E-02-9.08984494E-06+1.40565477E-09-8.13342971E-14 2
+-8.27920571E+03-8.37456502E+01-2.36606554E+00+7.99561662E-02-5.68809640E-05 3
++2.09107562E-08-3.13360357E-12-4.88329998E+02+3.76080899E+01 4
+GC6H13 H 13C 6 G 300.00 5000.00 1390.00 1
++2.00983090E+01+2.64273080E-02-8.89430923E-06+1.36679972E-09-7.87612858E-14 2
+-9.64324892E+03-8.34925532E+01-1.92822448E+00+7.49679480E-02-4.80272338E-05 3
++1.48963904E-08-1.73201411E-12-1.79782876E+03+3.56787694E+01 4
+HC6H13 H 13C 6 G 300.00 5000.00 1397.00 1
++2.02634240E+01+2.67379786E-02-9.08984494E-06+1.40565477E-09-8.13342971E-14 2
+-8.27920571E+03-8.48427815E+01-2.36606554E+00+7.99561662E-02-5.68809640E-05 3
++2.09107562E-08-3.13360357E-12-4.88329998E+02+3.65109585E+01 4
+NEOC6H12 C 6H 12 G 300.00 5000.00 1398.00 1
++1.97012900E+01+2.49282969E-02-8.43267154E-06+1.29989939E-09-7.50557893E-14 2
+-1.69324896E+04-8.35619319E+01-3.56898987E+00+8.16665279E-02-6.15853251E-05 3
++2.40142734E-08-3.80041411E-12-9.14831349E+03+4.04711010E+01 4
+NEOC6H11 H 11C 6 G 300.00 5000.00 1397.00 1
++1.90679022E+01+2.29697448E-02-7.76782362E-06+1.19718933E-09-6.91168613E-14 2
++1.22301063E+04-7.79377125E+01-1.79052001E+00+7.31749968E-02-5.40628622E-05 3
++2.06333931E-08-3.19855898E-12+1.92749294E+04+3.34750987E+01 4
+FC6H13O2 H 13C 6O 2 G 300.00 5000.00 1392.00 1
++2.37102479E+01+2.91395292E-02-1.00597409E-05+1.57146927E-09-9.15628844E-14 2
+-2.73396885E+04-9.77395504E+01-5.61462407E-01+8.71883025E-02-6.44783024E-05 3
++2.53831095E-08-4.17008314E-12-1.89538664E+04+3.22894664E+01 4
+GC6H13O2 H 13C 6O 2 G 300.00 5000.00 1394.00 1
++2.45260573E+01+2.84490265E-02-9.82240119E-06+1.53453641E-09-8.94178441E-14 2
+-2.99457263E+04-1.04434731E+02-1.55556582E+00+9.34239086E-02-7.35777731E-05 3
++3.06853455E-08-5.27129458E-12-2.12144697E+04+3.43353231E+01 4
+HC6H13O2 H 13C 6O 2 G 300.00 5000.00 1392.00 1
++2.37102479E+01+2.91395292E-02-1.00597409E-05+1.57146927E-09-9.15628844E-14 2
+-2.73396885E+04-9.88366817E+01-5.61462407E-01+8.71883025E-02-6.44783024E-05 3
++2.53831095E-08-4.17008314E-12-1.89538664E+04+3.11923351E+01 4
+FC6H13O2H H 14C 6O 2 G 300.00 5000.00 1393.00 1
++2.61780187E+01+2.92966710E-02-1.01449987E-05+1.58819921E-09-9.26814265E-14 2
+-4.52565509E+04-1.12068421E+02-1.54811668E+00+9.61342900E-02-7.28115900E-05 3
++2.87722241E-08-4.67586340E-12-3.57994117E+04+3.61639856E+01 4
+GC6H13O2H H 14C 6O 2 G 300.00 5000.00 1395.00 1
++2.70339581E+01+2.86177672E-02-9.92190554E-06+1.55456810E-09-9.07725944E-14 2
+-4.79055155E+04-1.19056991E+02-2.64665027E+00+1.02572555E-01-8.19250167E-05 3
++3.39948331E-08-5.75016084E-12-3.80376188E+04+3.87456910E+01 4
+HC6H13O2H H 14C 6O 2 G 300.00 5000.00 1393.00 1
++2.61780187E+01+2.92966710E-02-1.01449987E-05+1.58819921E-09-9.26814265E-14 2
+-4.52565509E+04-1.13165553E+02-1.54811668E+00+9.61342900E-02-7.28115900E-05 3
++2.87722241E-08-4.67586340E-12-3.57994117E+04+3.50668542E+01 4
+FC6H13O H 13C 6O 1 G 300.00 5000.00 1398.00 1
++2.19506802E+01+2.78807846E-02-9.49093306E-06+1.46903638E-09-8.50580133E-14 2
+-2.56026061E+04-9.14107485E+01-3.49617824E+00+8.95274691E-02-6.70020157E-05 3
++2.60162991E-08-4.11801184E-12-1.70244357E+04+4.44082731E+01 4
+GC6H13O H 13C 6O 1 G 300.00 5000.00 1401.00 1
++2.22747766E+01+2.78536708E-02-9.53253346E-06+1.48052850E-09-8.59198553E-14 2
+-2.78595936E+04-9.52702910E+01-3.65643661E+00+9.24742447E-02-7.21714167E-05 3
++2.94468055E-08-4.90302426E-12-1.92676625E+04+4.25451451E+01 4
+HC6H13O H 13C 6O 1 G 300.00 5000.00 1398.00 1
++2.19506802E+01+2.78807846E-02-9.49093306E-06+1.46903638E-09-8.50580133E-14 2
+-2.56026061E+04-9.25078799E+01-3.49617824E+00+8.95274691E-02-6.70020157E-05 3
++2.60162991E-08-4.11801184E-12-1.70244357E+04+4.33111417E+01 4
+FC6H12OOH-F H 13C 6O 2 G 300.00 5000.00 1395.00 1
++2.52922337E+01+2.77042620E-02-9.54577539E-06+1.48939008E-09-8.67122763E-14 2
+-1.99561911E+04-1.04223594E+02-9.24323257E-01+9.23866483E-02-7.18599509E-05 3
++2.92825851E-08-4.89291230E-12-1.11678466E+04+3.54020321E+01 4
+FC6H12OOH-G H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.57676821E+01+2.62258001E-02-8.82270792E-06+1.35621249E-09-7.81931437E-14 2
+-2.15187960E+04-1.06366255E+02-8.40507959E-01+8.86249115E-02-6.40314147E-05 3
++2.32545792E-08-3.36436618E-12-1.24172814E+04+3.62616670E+01 4
+FC6H12OOH-H H 13C 6O 2 G 300.00 5000.00 1395.00 1
++2.52922337E+01+2.77042620E-02-9.54577539E-06+1.48939008E-09-8.67122763E-14 2
+-1.99561911E+04-1.04223594E+02-9.24323257E-01+9.23866483E-02-7.18599509E-05 3
++2.92825851E-08-4.89291230E-12-1.11678466E+04+3.54020321E+01 4
+GC6H12OOH-F H 13C 6O 2 G 300.00 5000.00 1397.00 1
++2.61512785E+01+2.70552398E-02-9.33998320E-06+1.45917190E-09-8.50304926E-14 2
+-2.26063259E+04-1.10138274E+02-1.72891922E+00+9.76204170E-02-7.92048197E-05 3
++3.34324323E-08-5.73579333E-12-1.34537694E+04+3.76906323E+01 4
+GC6H12OOH-H H 13C 6O 2 G 300.00 5000.00 1397.00 1
++2.61512785E+01+2.70552398E-02-9.33998320E-06+1.45917190E-09-8.50304926E-14 2
+-2.26063259E+04-1.11235406E+02-1.72891922E+00+9.76204170E-02-7.92048197E-05 3
++3.34324323E-08-5.73579333E-12-1.34537694E+04+3.65935010E+01 4
+HC6H12OOH-F H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.57548319E+01+2.71643102E-02-9.42176702E-06+1.47658143E-09-8.62334695E-14 2
+-2.01908878E+04-1.06940027E+02-7.73398133E-01+9.15430265E-02-7.02673913E-05 3
++2.80955433E-08-4.61063869E-12-1.11872062E+04+3.47327927E+01 4
+HC6H12OOH-G H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.59299895E+01+2.61680725E-02-8.90578623E-06+1.37926008E-09-7.99236377E-14 2
+-2.16345167E+04-1.08495716E+02-7.73208347E-01+8.82744110E-02-6.34256303E-05 3
++2.28594199E-08-3.28719066E-12-1.24263757E+04+3.48620048E+01 4
+FC6H12OOH-FO2 H 13C 6O 4 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+FC6H12OOH-GO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.27213422E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.44166306E+01 4
+FC6H12OOH-HO2 H 13C 6O 4 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+GC6H12OOH-FO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.27213422E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.44166306E+01 4
+GC6H12OOH-HO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.28310554E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.33194992E+01 4
+HC6H12OOH-FO2 H 13C 6O 4 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+HC6H12OOH-GO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.28310554E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.33194992E+01 4
+F-FC6H12O C 6H 12O 1 G 300.00 5000.00 1382.00 1
++2.13606068E+01+2.67542440E-02-9.13564452E-06+1.41838522E-09-8.23439338E-14 2
+-3.03537290E+04-9.34602434E+01-5.17796040E+00+8.84596282E-02-6.39932049E-05 3
++2.36822771E-08-3.57224758E-12-2.11228410E+04+4.91517984E+01 4
+F-GC6H12O C 6H 12O 1 G 300.00 5000.00 1385.00 1
++2.19623594E+01+2.62358857E-02-8.95513764E-06+1.39002454E-09-8.06848444E-14 2
+-3.27028757E+04-9.70643786E+01-5.82300835E+00+9.33632895E-02-7.17044682E-05 3
++2.84038503E-08-4.58865464E-12-2.32884902E+04+5.13560020E+01 4
+F-HC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++1.94772949E+01+2.91330961E-02-1.00192785E-05+1.56171623E-09-9.08729403E-14 2
+-4.00595084E+04-8.34254062E+01-6.61045443E+00+9.07933989E-02-6.66326370E-05 3
++2.56589087E-08-4.09582804E-12-3.10163489E+04+5.65223679E+01 4
+G-HC6H12O C 6H 12O 1 G 300.00 5000.00 1394.00 1
++2.14800220E+01+2.67940165E-02-9.25261115E-06+1.44571833E-09-8.42514010E-14 2
+-3.17561526E+04-9.36825135E+01-4.91627107E+00+9.49026173E-02-7.87767510E-05 3
++3.44682832E-08-6.14848032E-12-2.31482365E+04+4.59393130E+01 4
+NEOC6KETFF C 6H 12O 3 G 300.00 5000.00 1392.00 1
++2.72727672E+01+2.60688207E-02-9.08873182E-06+1.42942655E-09-8.36881939E-14 2
+-5.44834095E+04-1.13122106E+02-4.71979044E-01+9.28529398E-02-7.12975423E-05 3
++2.81125362E-08-4.51809303E-12-4.50454468E+04+3.51866878E+01 4
+NEOC6KETFG C 6H 12O 3 G 300.00 5000.00 1394.00 1
++2.81044778E+01+2.54001164E-02-8.86679190E-06+1.39572362E-09-8.17648161E-14 2
+-5.71123144E+04-1.18848431E+02-1.32156732E+00+9.82848291E-02-7.90144458E-05 3
++3.25064227E-08-5.41428630E-12-4.73239311E+04+3.76920843E+01 4
+NEOC6KETFH C 6H 12O 3 G 300.00 5000.00 1392.00 1
++2.72727672E+01+2.60688207E-02-9.08873182E-06+1.42942655E-09-8.36881939E-14 2
+-5.44834095E+04-1.13811588E+02-4.71979044E-01+9.28529398E-02-7.12975423E-05 3
++2.81125362E-08-4.51809303E-12-4.50454468E+04+3.44972062E+01 4
+NEOC6KETGF C 6H 12O 3 G 300.00 5000.00 1390.00 1
++2.69796423E+01+2.64361312E-02-9.24205406E-06+1.45616518E-09-8.53596902E-14 2
+-5.82452596E+04-1.12950519E+02-1.02131420E+00+9.33223611E-02-7.10872356E-05 3
++2.78235100E-08-4.44983402E-12-4.86532168E+04+3.69366766E+01 4
+NEOC6KETGH C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.68298718E+01+2.65743988E-02-9.29166512E-06+1.46406502E-09-8.58245747E-14 2
+-5.81942079E+04-1.12224196E+02+8.68698184E-01+8.73553612E-02-6.44754197E-05 3
++2.46810718E-08-3.90390558E-12-4.91297898E+04+2.72623041E+01 4
+NEOC6KETHF C 6H 12O 3 G 300.00 5000.00 1390.00 1
++2.69735434E+01+2.62533275E-02-9.13571109E-06+1.43492261E-09-8.39306598E-14 2
+-5.47961402E+04-1.11827333E+02+7.03565713E-01+9.02925836E-02-7.02592307E-05 3
++2.85722308E-08-4.77942427E-12-4.58809214E+04+2.84124478E+01 4
+NEOC6KETHG C 6H 12O 3 G 300.00 5000.00 1394.00 1
++2.81523897E+01+2.53352436E-02-8.83843442E-06+1.39062394E-09-8.14390345E-14 2
+-5.71374512E+04-1.19922325E+02-1.99397589E+00+1.02364749E-01-8.59063234E-05 3
++3.70316851E-08-6.44216262E-12-4.73177857E+04+3.96591886E+01 4
+NEOC6H12OH H 13C 6O 1 G 300.00 5000.00 1389.00 1
++2.24527821E+01+2.60793463E-02-8.68394492E-06+1.32560431E-09-7.60559598E-14 2
+-2.84231560E+04-9.18021258E+01-1.52567590E+00+8.02031847E-02-5.36232361E-05 3
++1.74712659E-08-2.16209092E-12-2.00526370E+04+3.74059561E+01 4
+NEOO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1401.00 1
++2.55026585E+01+2.90372103E-02-9.86973534E-06+1.52576748E-09-8.82548203E-14 2
+-4.80167362E+04-1.03855843E+02+2.36309936E-01+9.25300019E-02-7.21544886E-05 3
++2.97296527E-08-5.01780844E-12-3.96815433E+04+3.02656735E+01 4
+TC4H9CHO C 5O 1H 10 G 300.00 5000.00 1396.00 1
++1.84056359E+01+2.15282423E-02-7.38655530E-06+1.14941999E-09-6.68003745E-14 2
+-3.84092887E+04-7.49886911E+01-1.75588233E+00+6.88741216E-02-4.97161071E-05 3
++1.82921650E-08-2.72056934E-12-3.14740629E+04+3.31334480E+01 4
+TC4H9CO C 5H 9O 1 G 300.00 5000.00 1397.00 1
++1.79864364E+01+1.94014364E-02-6.66715870E-06+1.03859646E-09-6.04064572E-14 2
+-1.94463168E+04-7.10669249E+01-9.77833363E-01+6.40573484E-02-4.66408868E-05 3
++1.72142682E-08-2.55681305E-12-1.29463546E+04+3.05727393E+01 4
+NEOC5H11CHO C 6H 12O 1 G 300.00 5000.00 1389.00 1
++2.18201927E+01+2.52377174E-02-8.54143105E-06+1.31748241E-09-7.61162071E-14 2
+-4.30014287E+04-9.04886577E+01-8.55055790E-01+7.84141706E-02-5.61118726E-05 3
++2.06552815E-08-3.09316611E-12-3.51846120E+04+3.11579584E+01 4
+NEOC5H11CO H 11C 6O 1 G 300.00 5000.00 1389.00 1
++2.14212795E+01+2.30660325E-02-7.80141198E-06+1.20297700E-09-6.94913508E-14 2
+-2.40435967E+04-8.66726580E+01-7.52080307E-02+7.36039955E-02-5.30639735E-05 3
++1.95915376E-08-2.93137730E-12-1.66575190E+04+2.85861268E+01 4
+TC4H9CHCHO H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.14752890E+01+2.36014241E-02-8.10397528E-06+1.26166539E-09-7.33474247E-14 2
+-2.27119417E+04-8.90752242E+01-1.31262503E+00+7.86201120E-02-5.92909129E-05 3
++2.30755955E-08-3.65696322E-12-1.50035752E+04+3.26318784E+01 4
+TC4H8CH2CHO H 11C 6O 1 G 300.00 5000.00 1389.00 1
++2.14180044E+01+2.30596274E-02-7.79730044E-06+1.20214639E-09-6.94356131E-14 2
+-1.79408139E+04-8.54690188E+01-6.56574366E-02+7.37823389E-02-5.35327810E-05 3
++1.99576223E-08-3.02272389E-12-1.05752494E+04+2.96538454E+01 4
+IC4H7CHO C 5H 8O 1 G 300.00 5000.00 1389.00 1
++1.54855457E+01+1.95046502E-02-6.72217668E-06+1.04894682E-09-6.10722450E-14 2
+-2.09191675E+04-5.37964397E+01+7.35614389E-01+5.25913841E-02-3.51785603E-05 3
++1.23024544E-08-1.79751073E-12-1.56061967E+04+2.59957375E+01 4
+IC4H7CO C 5H 7O 1 G 300.00 5000.00 1389.00 1
++1.50719878E+01+1.73699154E-02-5.99945908E-06+9.37552201E-10-5.46431990E-14 2
+-1.95861047E+03-4.99069151E+01+1.51384222E+00+4.77704979E-02-3.20899057E-05 3
++1.12121124E-08-1.63036012E-12+2.92154531E+03+2.34347421E+01 4
+AC3H4CH2CHO C 5H 7O 1 G 300.00 5000.00 1390.00 1
++1.64194720E+01+1.64616603E-02-5.73985444E-06+9.02736216E-10-5.28504586E-14 2
+-2.92593174E+03-5.92282775E+01-1.83421579E-01+5.69425872E-02-4.44368280E-05 3
++1.81316803E-08-3.04488510E-12+2.71337433E+03+2.94114305E+01 4
+IC3H5CHCHO C 5H 7O 1 G 300.00 5000.00 1384.00 1
++1.55879026E+01+1.72145243E-02-6.01031631E-06+9.46110380E-10-5.54239488E-14 2
+-4.07176338E+03-5.58106280E+01+4.50097887E-01+5.06462097E-02-3.39761191E-05 3
++1.15595445E-08-1.60919494E-12+1.41572991E+03+2.62377323E+01 4
+IC5H11CHO-B C 6H 12O 1 G 300.00 5000.00 1396.00 1
++2.15744130E+01+2.60224049E-02-8.92999252E-06+1.38968429E-09-8.07654716E-14 2
+-4.25078380E+04-8.94841933E+01-1.95086598E+00+8.09362173E-02-5.77563918E-05 3
++2.10785001E-08-3.12058559E-12-3.43674601E+04+3.68195576E+01 4
+IC5H11CO-B H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.11552282E+01+2.38954402E-02-8.21051273E-06+1.27884511E-09-7.43705452E-14 2
+-2.35448009E+04-8.55623232E+01-1.17119594E+00+7.61129814E-02-5.46721040E-05 3
++1.99951316E-08-2.95563643E-12-1.58400178E+04+3.42511825E+01 4
+IC5H10CHO-BA H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.10828109E+01+2.39475767E-02-8.22615238E-06+1.28102048E-09-7.44857694E-14 2
+-1.74086872E+04-8.39476135E+01-1.09037068E+00+7.60101055E-02-5.48702030E-05 3
++2.02628794E-08-3.03569892E-12-9.76870215E+03+3.49854667E+01 4
+IC5H10CHO-BC H 11C 6O 1 G 300.00 5000.00 1384.00 1
++2.14679298E+01+2.27371253E-02-7.63568527E-06+1.17255087E-09-6.75621859E-14 2
+-1.89598128E+04-8.56463855E+01-8.06006524E-01+7.13874348E-02-4.57221361E-05 3
++1.34800661E-08-1.35739169E-12-1.10499018E+04+3.49068663E+01 4
+IC5H10CHO-BD H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.10828109E+01+2.39475767E-02-8.22615238E-06+1.28102048E-09-7.44857694E-14 2
+-1.74086872E+04-8.39476135E+01-1.09037068E+00+7.60101055E-02-5.48702030E-05 3
++2.02628794E-08-3.03569892E-12-9.76870215E+03+3.49854667E+01 4
+C4H7CHO1-2 C 5H 8O 1 G 300.00 5000.00 1396.00 1
++1.70314021E+01+1.79985814E-02-6.16116444E-06+9.57152360E-10-5.55594577E-14 2
+-2.41225113E+04-6.41440981E+01-6.61811876E-01+6.32800894E-02-5.16238022E-05 3
++2.20783756E-08-3.84261100E-12-1.83560139E+04+2.95070519E+01 4
+C4H7CO1-2 C 5H 7O 1 G 300.00 5000.00 1397.00 1
++1.64651768E+01+1.59062251E-02-5.43230323E-06+8.42521096E-10-4.88461570E-14 2
+-7.98516509E+03-6.03394256E+01+5.78897418E-01+5.84282121E-02-5.03642354E-05 3
++2.27849982E-08-4.15814487E-12-2.97157417E+03+2.31234279E+01 4
+C4H6CHO1-23 C 5H 7O 1 G 300.00 5000.00 1393.00 1
++1.70700605E+01+1.58429731E-02-5.51236151E-06+8.65805032E-10-5.06440128E-14 2
+-7.26250822E+03-6.58289198E+01-9.31628556E-01+6.12341022E-02-5.02868148E-05 3
++2.13004977E-08-3.65759355E-12-1.33540534E+03+2.96839881E+01 4
+C4H6CHO1-24 C 5H 7O 1 G 300.00 5000.00 1396.00 1
++1.65787886E+01+1.59193750E-02-5.46203212E-06+8.49860281E-10-4.93850669E-14 2
++9.53024381E+02-5.88586589E+01+1.38121554E-01+5.86072858E-02-4.90075315E-05 3
++2.13914653E-08-3.78147426E-12+6.25168344E+03+2.79483683E+01 4
+C4H7CHO2-2 C 5H 8O 1 G 300.00 5000.00 1373.00 1
++1.85742205E+01+1.76938836E-02-6.28424851E-06+1.00058128E-09-5.90822128E-14 2
+-2.83855697E+04-6.41544390E+01+6.15935992E-01+5.51334615E-02-3.47129984E-05 3
++1.02579326E-08-1.13256581E-12-2.16677843E+04+3.39479618E+01 4
+C4H7CO2-2 C 5H 7O 1 G 300.00 5000.00 1374.00 1
++1.80523043E+01+1.55168113E-02-5.51619574E-06+8.78829645E-10-5.19148464E-14 2
+-1.22598579E+04-6.05879823E+01+1.78033270E+00+5.05901427E-02-3.38410622E-05 3
++1.11462050E-08-1.47665417E-12-6.27122730E+03+2.79228200E+01 4
+C4H6CHO2-21 C 5H 7O 1 G 300.00 5000.00 1375.00 1
++2.00498672E+01+1.39851005E-02-5.02791277E-06+8.07075446E-10-4.79266025E-14 2
+-1.05938864E+04-7.26722565E+01-7.65559619E-01+6.09311778E-02-4.44935207E-05 3
++1.54896947E-08-2.08729427E-12-3.26896739E+03+3.96002309E+01 4
+C4H6CHO2-24 C 5H 7O 1 G 300.00 5000.00 1375.00 1
++2.00498672E+01+1.39851005E-02-5.02791277E-06+8.07075446E-10-4.79266025E-14 2
+-1.05938864E+04-7.26722565E+01-7.65559619E-01+6.09311778E-02-4.44935207E-05 3
++1.54896947E-08-2.08729427E-12-3.26896739E+03+3.96002309E+01 4
+CH2CCHCH3 C 4H 6 G 300.00 5000.00 1381.00 1
++1.08905899E+01+1.41994372E-02-4.92125565E-06+7.70807110E-10-4.49953094E-14 2
++2.14369382E+03-4.35429426E+01+1.47976771E+00+3.29482486E-02-1.83137798E-05 3
++4.76168299E-09-4.43886261E-13+5.79099825E+03+8.24035164E+00 4
+TC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1393.00 1
++2.11627268E+01+2.65726365E-02-9.16335571E-06+1.43058385E-09-8.33259468E-14 2
+-4.62269052E+04-8.79567628E+01-2.35641565E+00+8.09105638E-02-5.70901384E-05 3
++2.06789814E-08-3.05872867E-12-3.79999022E+04+3.85681263E+01 4
+TC4H9COCH2 H 11C 6O 1 G 300.00 5000.00 1395.00 1
++2.17668106E+01+2.36161495E-02-8.16684421E-06+1.27747930E-09-7.45104835E-14 2
+-2.48661491E+04-9.17111915E+01-2.76756040E+00+8.39187118E-02-6.56654850E-05 3
++2.65177439E-08-4.35600571E-12-1.66578112E+04+3.89719794E+01 4
+TC4H8COCH3 H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.07384786E+01+2.44442931E-02-8.44209095E-06+1.31932525E-09-7.69007570E-14 2
+-2.11608509E+04-8.28281002E+01-1.56934402E+00+7.62576905E-02-5.44391068E-05 3
++1.99294063E-08-2.97631443E-12-1.33894493E+04+3.70757484E+01 4
+CH2CCHO H 3O 1C 3 G 300.00 5000.00 1390.00 1
++9.78111516E+00+7.50969243E-03-2.61556340E-06+4.11046955E-10-2.40514603E-14 2
++1.42055163E+04-2.50656489E+01+1.99806192E+00+2.72342740E-02-2.24050331E-05 3
++9.68257238E-09-1.71138082E-12+1.67830831E+04+1.62359919E+01 4
+IC3H6CHCHO C 5H 8O 1 G 300.00 5000.00 1390.00 1
++1.63675823E+01+1.87451250E-02-6.45819146E-06+1.00755791E-09-5.86556682E-14 2
+-2.62213524E+04-6.09272424E+01+9.93060772E-01+5.49646074E-02-3.97614860E-05 3
++1.52758656E-08-2.45467180E-12-2.08566834E+04+2.16296532E+01 4
+IC3H6CHCO C 5H 7O 1 G 300.00 5000.00 1391.00 1
++1.58085413E+01+1.66403790E-02-5.72382460E-06+8.91951253E-10-5.18812580E-14 2
+-1.00869837E+04-5.71631569E+01+2.23189681E+00+5.01107112E-02-3.84870329E-05 3
++1.59662893E-08-2.76546877E-12-5.47169716E+03+1.52567763E+01 4
+AC3H5CHCHO C 5H 7O 1 G 300.00 5000.00 1390.00 1
++1.72875644E+01+1.57675234E-02-5.51022766E-06+8.67936068E-10-5.08670021E-14 2
+-8.24598860E+03-6.63266554E+01+1.73821731E-01+5.86562259E-02-4.78711610E-05 3
++2.03690778E-08-3.54093615E-12-2.54631956E+03+2.46335643E+01 4
+AC5H9-A1 C 5H 9 G 300.00 5000.00 1392.00 1
++1.44275954E+01+2.01413496E-02-6.88263565E-06+1.06773206E-09-6.19095750E-14 2
++1.83186525E+04-5.04444624E+01+6.77646626E-01+5.16740674E-02-3.50126996E-05 3
++1.27627348E-08-1.97452225E-12+2.32215852E+04+2.37248103E+01 4
+NEOC7H16 H 16C 7 G 300.00 5000.00 1397.00 1
++2.39323172E+01+3.31782362E-02-1.12668494E-05+1.74099807E-09-1.00684665E-13 2
+-3.74498789E+04-1.05938832E+02-3.45771037E+00+9.72014646E-02-6.83249164E-05 3
++2.48220102E-08-3.67746004E-12-2.79771408E+04+4.10888515E+01 4
+NC7H15 H 15C 7 G 300.00 5000.00 1397.00 1
++2.35128171E+01+3.10371540E-02-1.05393955E-05+1.62859656E-09-9.41860827E-14 2
+-1.23839746E+04-9.97354960E+01-2.68778642E+00+9.26426584E-02-6.58335470E-05 3
++2.41758097E-08-3.61820834E-12-3.36453908E+03+4.07694885E+01 4
+OC7H15 H 15C 7 G 300.00 5000.00 1390.00 1
++2.33667406E+01+3.07319555E-02-1.03508107E-05+1.59137519E-09-9.17310563E-14 2
+-1.37695377E+04-9.96212012E+01-2.19681832E+00+8.73134079E-02-5.63690703E-05 3
++1.77635552E-08-2.12899352E-12-4.67937082E+03+3.86153467E+01 4
+PC7H15 H 15C 7 G 300.00 5000.00 1390.00 1
++2.33667406E+01+3.07319555E-02-1.03508107E-05+1.59137519E-09-9.17310563E-14 2
+-1.37695377E+04-9.96212012E+01-2.19681832E+00+8.73134079E-02-5.63690703E-05 3
++1.77635552E-08-2.12899352E-12-4.67937082E+03+3.86153467E+01 4
+QC7H15 H 15C 7 G 300.00 5000.00 1397.00 1
++2.35128171E+01+3.10371540E-02-1.05393955E-05+1.62859656E-09-9.41860827E-14 2
+-1.23839746E+04-1.00832627E+02-2.68778642E+00+9.26426584E-02-6.58335470E-05 3
++2.41758097E-08-3.61820834E-12-3.36453908E+03+3.96723571E+01 4
+OC7H14 H 14C 7 G 300.00 5000.00 1395.00 1
++2.24887015E+01+2.96738400E-02-1.00479879E-05+1.54993215E-09-8.95338318E-14 2
+-2.23998822E+04-9.74394979E+01-3.31532000E+00+9.05539714E-02-6.48360116E-05 3
++2.39274057E-08-3.58919418E-12-1.35509173E+04+4.08439338E+01 4
+PC7H14 H 14C 7 G 300.00 5000.00 1398.00 1
++2.28180567E+01+2.94777078E-02-9.99646834E-06+1.54338994E-09-8.92080381E-14 2
+-2.15138751E+04-9.88510108E+01-3.81851414E+00+9.39380534E-02-6.99390936E-05 3
++2.69897745E-08-4.23959224E-12-1.25406477E+04+4.33207277E+01 4
+OC7H13-N H 13C 7 G 300.00 5000.00 1395.00 1
++2.20750395E+01+2.75256463E-02-9.31780257E-06+1.43709007E-09-8.30094636E-14 2
++2.62318023E+03-9.12695756E+01-2.54216855E+00+8.59862780E-02-6.23331815E-05 3
++2.32747106E-08-3.52870696E-12+1.10207665E+04+4.05083770E+01 4
+PC7H13-N H 13C 7 G 300.00 5000.00 1399.00 1
++2.24002497E+01+2.73317458E-02-9.26655367E-06+1.43052195E-09-8.26789137E-14 2
++3.51247952E+03-9.26502255E+01-3.09705753E+00+8.95950899E-02-6.77627545E-05 3
++2.65306123E-08-4.21967399E-12+1.20389816E+04+4.32306185E+01 4
+PC7H13-O H 13C 7 G 300.00 5000.00 1399.00 1
++2.24239478E+01+2.77773712E-02-9.43034332E-06+1.45721528E-09-8.42812364E-14 2
+-4.46272573E+03-9.79639287E+01-4.14452445E+00+9.22987225E-02-6.95252835E-05 3
++2.69504089E-08-4.23040646E-12+4.44515847E+03+4.37314430E+01 4
+PC7H13O-O H 13O 1C 7 G 300.00 5000.00 1398.00 1
++2.70665020E+01+2.54409611E-02-8.53248547E-06+1.30919024E-09-7.53950497E-14 2
+-1.64143986E+04-1.18716143E+02-4.66019213E+00+1.04558207E-01-8.37076856E-05 3
++3.35735802E-08-5.34053845E-12-6.09495634E+03+4.95722813E+01 4
+NC7H15O2 H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.68728540E+01+3.36470348E-02-1.16095500E-05+1.81291039E-09-1.05603810E-13 2
+-3.14367980E+04-1.13299239E+02-7.28733137E-01+9.91363594E-02-7.23619912E-05 3
++2.80830549E-08-4.55317178E-12-2.18516784E+04+3.47483179E+01 4
+OC7H15O2 H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.77264744E+01+3.29353264E-02-1.13674121E-05+1.77549892E-09-1.03442100E-13 2
+-3.40651164E+04-1.19539251E+02-1.73310415E+00+1.05358715E-01-8.13190924E-05 3
++3.32489557E-08-5.61789246E-12-2.41096371E+04+3.75409119E+01 4
+PC7H15O2 H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.77264744E+01+3.29353264E-02-1.13674121E-05+1.77549892E-09-1.03442100E-13 2
+-3.40651164E+04-1.19539251E+02-1.73310415E+00+1.05358715E-01-8.13190924E-05 3
++3.32489557E-08-5.61789246E-12-2.41096371E+04+3.75409119E+01 4
+QC7H15O2 H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.68728540E+01+3.36470348E-02-1.16095500E-05+1.81291039E-09-1.05603810E-13 2
+-3.14367980E+04-1.14396370E+02-7.28733137E-01+9.91363594E-02-7.23619912E-05 3
++2.80830549E-08-4.55317178E-12-2.18516784E+04+3.36511866E+01 4
+NC7H15O2H H 16O 2C 7 G 300.00 5000.00 1393.00 1
++2.93521507E+01+3.37808675E-02-1.16838691E-05+1.82763853E-09-1.06594118E-13 2
+-4.93567184E+04-1.27690246E+02-1.75784767E+00+1.08260149E-01-8.09423379E-05 3
++3.16099898E-08-5.08629553E-12-3.86905437E+04+3.88215641E+01 4
+OC7H15O2H H 16O 2C 7 G 300.00 5000.00 1395.00 1
++3.02387000E+01+3.30982482E-02-1.14644388E-05+1.79509521E-09-1.04769542E-13 2
+-5.20241289E+04-1.34180355E+02-2.77503359E+00+1.14327505E-01-8.94180785E-05 3
++3.64099346E-08-6.06461062E-12-4.09413628E+04+4.17150529E+01 4
+PC7H15O2H H 16O 2C 7 G 300.00 5000.00 1395.00 1
++3.02387000E+01+3.30982482E-02-1.14644388E-05+1.79509521E-09-1.04769542E-13 2
+-5.20241289E+04-1.34180355E+02-2.77503359E+00+1.14327505E-01-8.94180785E-05 3
++3.64099346E-08-6.06461062E-12-4.09413628E+04+4.17150529E+01 4
+QC7H15O2H H 16O 2C 7 G 300.00 5000.00 1393.00 1
++2.93521507E+01+3.37808675E-02-1.16838691E-05+1.82763853E-09-1.06594118E-13 2
+-4.93567184E+04-1.28787377E+02-1.75784767E+00+1.08260149E-01-8.09423379E-05 3
++3.16099898E-08-5.08629553E-12-3.86905437E+04+3.77244327E+01 4
+NC7H15O H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.54093151E+01+3.21284629E-02-1.09485520E-05+1.69576547E-09-9.82275796E-14 2
+-2.96013576E+04-1.08338626E+02-2.77832151E+00+9.97392862E-02-7.33744577E-05 3
++2.80807810E-08-4.39620206E-12-2.00154366E+04+4.23755436E+01 4
+OC7H15O H 15O 1C 7 G 300.00 5000.00 1401.00 1
++2.60236775E+01+3.15366168E-02-1.07286791E-05+1.65979066E-09-9.60653992E-14 2
+-3.19294066E+04-1.13054460E+02-3.30243672E+00+1.04181670E-01-8.03713303E-05 3
++3.22855774E-08-5.28010335E-12-2.22019925E+04+4.29036712E+01 4
+PC7H15O H 15O 1C 7 G 300.00 5000.00 1401.00 1
++2.60236775E+01+3.15366168E-02-1.07286791E-05+1.65979066E-09-9.60653992E-14 2
+-3.19294066E+04-1.13054460E+02-3.30243672E+00+1.04181670E-01-8.03713303E-05 3
++3.22855774E-08-5.28010335E-12-2.22019925E+04+4.29036712E+01 4
+QC7H15O H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.54093151E+01+3.21284629E-02-1.09485520E-05+1.69576547E-09-9.82275796E-14 2
+-2.96013576E+04-1.09435758E+02-2.77832151E+00+9.97392862E-02-7.33744577E-05 3
++2.80807810E-08-4.39620206E-12-2.00154366E+04+4.12784122E+01 4
+NC7H14OOH-N2 H 15O 2C 7 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+NC7H14OOH-Q H 15O 2C 7 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+QC7H14OOH-N H 15O 2C 7 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+NC7H14OOH-O H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.22986116E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.90198621E+01 4
+NC7H14OOH-P H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.22986116E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.90198621E+01 4
+QC7H14OOH-O H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.24083247E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.79227307E+01 4
+QC7H14OOH-P H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.24083247E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.79227307E+01 4
+OC7H14OOH-N H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.27963837E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+4.09009382E+01 4
+OC7H14OOH-Q H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.29060969E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+3.98038069E+01 4
+PC7H14OOH-N H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.27963837E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+4.09009382E+01 4
+PC7H14OOH-Q H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.29060969E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+3.98038069E+01 4
+OC7H14OOH-P H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.92450713E+01+3.08880713E-02-1.05942735E-05+1.64837346E-09-9.57957646E-14 2
+-2.80619210E+04-1.25169499E+02-1.41799956E+00+1.04568281E-01-7.86140205E-05 3
++3.03404784E-08-4.75444343E-12-1.76696497E+04+3.86982849E+01 4
+PC7H14OOH-O H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.92450713E+01+3.08880713E-02-1.05942735E-05+1.64837346E-09-9.57957646E-14 2
+-2.80619210E+04-1.25169499E+02-1.41799956E+00+1.04568281E-01-7.86140205E-05 3
++3.03404784E-08-4.75444343E-12-1.76696497E+04+3.86982849E+01 4
+NC7H14OOH-N2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+NC7H14OOH-QO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+QC7H14OOH-NO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+NC7H14OOH-OO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+NC7H14OOH-PO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+QC7H14OOH-OO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+QC7H14OOH-PO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+OC7H14OOH-NO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+OC7H14OOH-QO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+PC7H14OOH-NO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+PC7H14OOH-QO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+OC7H14OOH-PO2 H 15O 4C 7 G 300.00 5000.00 1394.00 1
++3.41658876E+01+3.20899159E-02-1.11621899E-05+1.75269953E-09-1.02495642E-13 2
+-4.85525949E+04-1.48177080E+02-9.41322525E-01+1.22171301E-01-1.02238990E-04 3
++4.45090859E-08-7.86260380E-12-3.70934069E+04+3.76338478E+01 4
+PC7H14OOH-OO2 H 15O 4C 7 G 300.00 5000.00 1394.00 1
++3.41658876E+01+3.20899159E-02-1.11621899E-05+1.75269953E-09-1.02495642E-13 2
+-4.85525949E+04-1.48177080E+02-9.41322525E-01+1.22171301E-01-1.02238990E-04 3
++4.45090859E-08-7.86260380E-12-3.70934069E+04+3.76338478E+01 4
+N-NC7H14O H 14O 1C 7 G 300.00 5000.00 1400.00 1
++2.39600679E+01+3.17081086E-02-1.08164227E-05+1.67667029E-09-9.71835390E-14 2
+-3.45659120E+04-1.04939163E+02-6.64556919E+00+1.05373799E-01-7.86000298E-05 3
++3.00019846E-08-4.62526286E-12-2.42440028E+04+5.85115505E+01 4
+N-OC7H14O H 14O 1C 7 G 300.00 5000.00 1403.00 1
++2.43151704E+01+3.16174221E-02-1.08281769E-05+1.68270448E-09-9.76960406E-14 2
+-3.68325348E+04-1.07182683E+02-6.88548949E+00+1.08579332E-01-8.40343676E-05 3
++3.35223797E-08-5.41637633E-12-2.64728135E+04+5.88227619E+01 4
+N-PC7H14O H 14O 1C 7 G 300.00 5000.00 1404.00 1
++2.37190457E+01+3.25359249E-02-1.11428469E-05+1.73164426E-09-1.00539964E-13 2
+-4.69289195E+04-1.05401457E+02-8.73257940E+00+1.12421736E-01-8.68300991E-05 3
++3.44618642E-08-5.52956293E-12-3.61505130E+04+6.72956667E+01 4
+N-QC7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.40542367E+01+3.28073531E-02-1.12698568E-05+1.75528559E-09-1.02081564E-13 2
+-4.72826253E+04-1.12376038E+02-9.12518292E+00+1.11346644E-01-8.19466828E-05 3
++3.04982244E-08-4.55784793E-12-3.59660844E+04+6.52806220E+01 4
+O-PC7H14O H 14O 1C 7 G 300.00 5000.00 1398.00 1
++2.61457730E+01+3.00656365E-02-1.03865590E-05+1.62345095E-09-9.46351931E-14 2
+-3.86506110E+04-1.17342428E+02-7.26493374E+00+1.17328751E-01-9.97836089E-05 3
++4.38867593E-08-7.77582618E-12-2.79523946E+04+5.88532585E+01 4
+O-QC7H14O H 14O 1C 7 G 300.00 5000.00 1403.00 1
++2.43151704E+01+3.16174221E-02-1.08281769E-05+1.68270448E-09-9.76960406E-14 2
+-3.68325348E+04-1.08279814E+02-6.88548949E+00+1.08579332E-01-8.40343676E-05 3
++3.35223797E-08-5.41637633E-12-2.64728135E+04+5.77256306E+01 4
+P-QC7H14O H 14O 1C 7 G 300.00 5000.00 1400.00 1
++2.50907857E+01+3.06905327E-02-1.05420446E-05+1.64145811E-09-9.54300621E-14 2
+-3.60399349E+04-1.10921777E+02-5.62328324E+00+1.07683674E-01-8.55683853E-05 3
++3.52779432E-08-5.90642018E-12-2.59233241E+04+5.21280458E+01 4
+NEOC7KETNN H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.04363674E+01+3.05740963E-02-1.06374577E-05+1.67066538E-09-9.77159817E-14 2
+-5.85808672E+04-1.28687459E+02-6.52899263E-01+1.04858118E-01-7.92632421E-05 3
++3.08611561E-08-4.91150022E-12-4.79410948E+04+3.77095134E+01 4
+NEOC7KETNO H 14O 3C 7 G 300.00 5000.00 1394.00 1
++3.13169138E+01+2.98796239E-02-1.04102037E-05+1.63651310E-09-9.57820698E-14 2
+-6.12367932E+04-1.34712826E+02-1.50295813E+00+1.10252951E-01-8.67924112E-05 3
++3.50861794E-08-5.76350539E-12-5.02191376E+04+4.02216997E+01 4
+NEOC7KETNP H 14O 3C 7 G 300.00 5000.00 1394.00 1
++3.13169138E+01+2.98796239E-02-1.04102037E-05+1.63651310E-09-9.57820698E-14 2
+-6.12367932E+04-1.34712826E+02-1.50295813E+00+1.10252951E-01-8.67924112E-05 3
++3.50861794E-08-5.76350539E-12-5.02191376E+04+4.02216997E+01 4
+NEOC7KETNQ H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.04363674E+01+3.05740963E-02-1.06374577E-05+1.67066538E-09-9.77159817E-14 2
+-5.85808672E+04-1.29376940E+02-6.52899263E-01+1.04858118E-01-7.92632421E-05 3
++3.08611561E-08-4.91150022E-12-4.79410948E+04+3.70200318E+01 4
+NEOC7KETON H 14O 3C 7 G 300.00 5000.00 1389.00 1
++3.00066367E+01+3.10290360E-02-1.08137527E-05+1.70015598E-09-9.95114830E-14 2
+-6.23640317E+04-1.27368194E+02-7.58791231E-01+1.05656987E-01-8.17393925E-05 3
++3.30983517E-08-5.52539152E-12-5.18729316E+04+3.70237395E+01 4
+NEOC7KETOP H 14O 3C 7 G 300.00 5000.00 1393.00 1
++3.12785929E+01+3.00300393E-02-1.04882218E-05+1.65141609E-09-9.67601581E-14 2
+-6.47357356E+04-1.35991140E+02-3.94519008E+00+1.20144570E-01-1.01041263E-04 3
++4.38155686E-08-7.68280619E-12-5.32433395E+04+5.04791088E+01 4
+NEOC7KETOQ H 14O 3C 7 G 300.00 5000.00 1389.00 1
++3.00066367E+01+3.10290360E-02-1.08137527E-05+1.70015598E-09-9.95114830E-14 2
+-6.23640317E+04-1.28465326E+02-7.58791231E-01+1.05656987E-01-8.17393925E-05 3
++3.30983517E-08-5.52539152E-12-5.18729316E+04+3.59266082E+01 4
+NEOC7KETPN H 14O 3C 7 G 300.00 5000.00 1389.00 1
++2.98298481E+01+3.11235100E-02-1.08337221E-05+1.70193502E-09-9.95601835E-14 2
+-6.27049883E+04-1.26435085E+02+1.76054692E-01+1.01875835E-01-7.67132395E-05 3
++3.02332775E-08-4.92923263E-12-5.24755649E+04+3.24342096E+01 4
+NEOC7KETPO H 14O 3C 7 G 300.00 5000.00 1393.00 1
++3.10581541E+01+3.01730386E-02-1.05274448E-05+1.65646084E-09-9.70094959E-14 2
+-6.50681614E+04-1.34824216E+02-2.84703848E+00+1.15472318E-01-9.46242645E-05 3
++4.00848127E-08-6.89706377E-12-5.38657225E+04+4.51702654E+01 4
+NEOC7KETPQ H 14O 3C 7 G 300.00 5000.00 1386.00 1
++2.96622953E+01+3.13109805E-02-1.09077520E-05+1.71441381E-09-1.00322469E-13 2
+-6.25947525E+04-1.25627477E+02+2.01966983E+00+9.61029959E-02-7.04073402E-05 3
++2.73091890E-08-4.43801703E-12-5.28842448E+04+2.29780770E+01 4
+NEOC7KETQN H 14O 3C 7 G 300.00 5000.00 1390.00 1
++3.01443416E+01+3.07430133E-02-1.06770034E-05+1.67479029E-09-9.78701861E-14 2
+-5.88951869E+04-1.27430987E+02+4.93120773E-01+1.02416423E-01-7.83826197E-05 3
++3.14041406E-08-5.18834716E-12-4.87718048E+04+3.10744181E+01 4
+NEOC7KETQO H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.06826803E+01+3.03040962E-02-1.05291370E-05+1.65203675E-09-9.65572652E-14 2
+-6.13669869E+04-1.31781471E+02+2.36801917E-01+1.05582764E-01-8.35235844E-05 3
++3.45517069E-08-5.86070961E-12-5.11468769E+04+3.03635045E+01 4
+NEOC7KETQP H 14O 3C 7 G 300.00 5000.00 1394.00 1
++3.13039066E+01+2.98616170E-02-1.03968083E-05+1.63361345E-09-9.55785901E-14 2
+-6.12347357E+04-1.35428490E+02-2.15420388E+00+1.14230320E-01-9.36459269E-05 3
++3.96435491E-08-6.80697553E-12-5.02151388E+04+4.20968444E+01 4
+OC7H14OH H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.55348915E+01+3.09583295E-02-1.04138045E-05+1.59942150E-09-9.21207426E-14 2
+-3.45726057E+04-1.07043495E+02-2.21939081E+00+9.68557297E-02-6.98444794E-05 3
++2.57897333E-08-3.83913004E-12-2.51387156E+04+4.14730991E+01 4
+PC7H14OH H 15O 1C 7 G 300.00 5000.00 1388.00 1
++2.57545373E+01+3.02484467E-02-1.00728739E-05+1.53768192E-09-8.82256412E-14 2
+-3.25834547E+04-1.08073692E+02-1.73709867E+00+9.23353939E-02-6.17685161E-05 3
++2.02322741E-08-2.53496760E-12-2.29785135E+04+4.00725304E+01 4
+OO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1401.00 1
++2.95980400E+01+3.29031991E-02-1.12314204E-05+1.74128566E-09-1.00925258E-13 2
+-5.46609793E+04-1.25087278E+02-6.52879010E-01+1.09302940E-01-8.65393673E-05 3
++3.59824774E-08-6.10465262E-12-4.47271131E+04+3.53461160E+01 4
+PO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1400.00 1
++2.86706009E+01+3.35327324E-02-1.14137700E-05+1.76613725E-09-1.02226516E-13 2
+-5.21500864E+04-1.19443511E+02+4.68558572E-02+1.04569768E-01-8.01634840E-05 3
++3.24976654E-08-5.41396284E-12-4.26110678E+04+3.28285675E+01 4
+IC8H18 C 8H 18 G 300.00 5000.00 1396.00 1
++2.71373590E+01+3.79004890E-02-1.29437358E-05+2.00760372E-09-1.16400580E-13 2
+-4.07958177E+04-1.23277495E+02-4.20868893E+00+1.11440581E-01-7.91346582E-05 3
++2.92406242E-08-4.43743191E-12-2.99446875E+04+4.49521701E+01 4
+AC8H17 C 8H 17 G 300.00 5000.00 1396.00 1
++2.67069782E+01+3.57660601E-02-1.22178704E-05+1.89536630E-09-1.09907843E-13 2
+-1.57229692E+04-1.17001113E+02-3.41944741E+00+1.06803189E-01-7.65411563E-05 3
++2.85341682E-08-4.36478649E-12-5.33514196E+03+4.45471727E+01 4
+BC8H17 C 8H 17 G 300.00 5000.00 1393.00 1
++2.64569179E+01+3.55420752E-02-1.20520984E-05+1.86089357E-09-1.07571894E-13 2
+-1.70392791E+04-1.16245511E+02-3.09104262E+00+1.02318896E-01-6.84858873E-05 3
++2.30183940E-08-3.07013080E-12-6.62829069E+03+4.31173932E+01 4
+CC8H17 C 8H 17 G 300.00 5000.00 1390.00 1
++2.51497158E+01+3.71096845E-02-1.26854483E-05+1.96873429E-09-1.14193894E-13 2
+-1.82761790E+04-1.09056834E+02-9.73159697E-02+8.92653724E-02-5.12873814E-05 3
++1.37640528E-08-1.27788396E-12-8.81147302E+03+2.89791898E+01 4
+DC8H17 C 8H 17 G 300.00 5000.00 1396.00 1
++2.67069782E+01+3.57660601E-02-1.22178704E-05+1.89536630E-09-1.09907843E-13 2
+-1.61255862E+04-1.18098245E+02-3.41944741E+00+1.06803189E-01-7.65411563E-05 3
++2.85341682E-08-4.36478649E-12-5.73775897E+03+4.34500414E+01 4
+IC8H16 H 16C 8 G 300.00 5000.00 1394.00 1
++2.56756746E+01+3.41801998E-02-1.16002952E-05+1.79195478E-09-1.03613002E-13 2
+-2.62458324E+04-1.13928273E+02-2.79610447E+00+1.00836172E-01-7.12250651E-05 3
++2.60659824E-08-3.90031814E-12-1.64002496E+04+3.88854068E+01 4
+JC8H16 H 16C 8 G 300.00 5000.00 1397.00 1
++2.60101527E+01+3.39703243E-02-1.15422451E-05+1.78422814E-09-1.03212200E-13 2
+-2.65174535E+04-1.15359195E+02-3.31862122E+00+1.04315305E-01-7.64763013E-05 3
++2.92169219E-08-4.56913862E-12-1.65448250E+04+4.14548253E+01 4
+IC8H15 C 8H 15 G 300.00 5000.00 1397.00 1
++2.60931337E+01+3.17629740E-02-1.07800358E-05+1.66534077E-09-9.62985504E-14 2
+-8.00312155E+03-1.15651475E+02-3.74987946E+00+1.05476476E-01-8.12781961E-05 3
++3.26271703E-08-5.33783606E-12+1.92249518E+03+4.31416185E+01 4
+AC8H17O2 C 8O 2H 17 G 300.00 5000.00 1393.00 1
++3.02815958E+01+3.78729072E-02-1.30468383E-05+2.03524213E-09-1.18471267E-13 2
+-3.48032462E+04-1.31647036E+02-1.78614072E+00+1.14754903E-01-8.50604719E-05 3
++3.34040935E-08-5.45173228E-12-2.37742056E+04+4.00275514E+01 4
+BC8H17O2 C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.09351615E+01+3.74102564E-02-1.29070970E-05+2.01544850E-09-1.17398911E-13 2
+-3.77457753E+04-1.36730800E+02-3.07002356E+00+1.22640438E-01-9.72202764E-05 3
++4.09127625E-08-7.09102547E-12-2.64014308E+04+4.40345691E+01 4
+CC8H17O2 C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.09721695E+01+3.73366082E-02-1.28724179E-05+2.00907464E-09-1.16989072E-13 2
+-3.79648855E+04-1.38456446E+02-1.80143766E+00+1.18030511E-01-9.10630966E-05 3
++3.73480361E-08-6.33999307E-12-2.68892049E+04+3.62716425E+01 4
+DC8H17O2 C 8O 2H 17 G 300.00 5000.00 1393.00 1
++3.02815958E+01+3.78729072E-02-1.30468383E-05+2.03524213E-09-1.18471267E-13 2
+-3.48032462E+04-1.32744167E+02-1.78614072E+00+1.14754903E-01-8.50604719E-05 3
++3.34040935E-08-5.45173228E-12-2.37742056E+04+3.89304200E+01 4
+AC8H17O2H C 8O 2H 18 G 300.00 5000.00 1394.00 1
++3.26877471E+01+3.81543348E-02-1.31904018E-05+2.06264164E-09-1.20273296E-13 2
+-5.27061157E+04-1.45649372E+02-2.60590167E+00+1.22975246E-01-9.23792422E-05 3
++3.62352036E-08-5.84914182E-12-4.06451692E+04+4.31271543E+01 4
+BC8H17O2H C 8O 2H 18 G 300.00 5000.00 1395.00 1
++3.33795839E+01+3.76075190E-02-1.30106507E-05+2.03549569E-09-1.18729187E-13 2
+-5.56606229E+04-1.50940682E+02-3.94136639E+00+1.31008751E-01-1.04675464E-04 3
++4.37713359E-08-7.48395636E-12-4.32624432E+04+4.73897591E+01 4
+CC8H17O2H C 8O 2H 18 G 300.00 5000.00 1394.00 1
++3.34492663E+01+3.74760859E-02-1.29495289E-05+2.02432718E-09-1.18013520E-13 2
+-5.58859437E+04-1.52839441E+02-2.84505394E+00+1.27200028E-01-9.97024841E-05 3
++4.09114072E-08-6.88149851E-12-4.37253252E+04+4.04161993E+01 4
+DC8H17O2H C 8O 2H 18 G 300.00 5000.00 1394.00 1
++3.26877471E+01+3.81543348E-02-1.31904018E-05+2.06264164E-09-1.20273296E-13 2
+-5.27061157E+04-1.46746504E+02-2.60590167E+00+1.22975246E-01-9.23792422E-05 3
++3.62352036E-08-5.84914182E-12-4.06451692E+04+4.20300230E+01 4
+AC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.88343933E+01+3.63403146E-02-1.23814095E-05+1.91748102E-09-1.11063219E-13 2
+-3.29777132E+04-1.26786653E+02-3.80491312E+00+1.15184609E-01-8.57614185E-05 3
++3.31877927E-08-5.24475393E-12-2.19418053E+04+4.75187920E+01 4
+BC8H17O C 8O 1H 17 G 300.00 5000.00 1400.00 1
++2.91996555E+01+3.62435016E-02-1.23916984E-05+1.92336095E-09-1.11569960E-13 2
+-3.52447658E+04-1.30181834E+02-3.96685353E+00+1.18150102E-01-9.09087627E-05 3
++3.65594900E-08-6.00779878E-12-2.41854516E+04+4.63436117E+01 4
+CC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.94459429E+01+3.59416431E-02-1.22687364E-05+1.90233593E-09-1.10275675E-13 2
+-3.65164717E+04-1.32704700E+02-3.83187637E+00+1.18581554E-01-9.20889748E-05 3
++3.74315233E-08-6.21723419E-12-2.54590182E+04+4.42631132E+01 4
+DC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.88343933E+01+3.63403146E-02-1.23814095E-05+1.91748102E-09-1.11063219E-13 2
+-3.29777132E+04-1.27194302E+02-3.80491312E+00+1.15184609E-01-8.57614185E-05 3
++3.31877927E-08-5.24475393E-12-2.19418053E+04+4.71111423E+01 4
+AC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.80443391E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.64331259E+04+4.17717295E+01 4
+AC8H16OOH-B C 8O 2H 17 G 300.00 5000.00 1390.00 1
++3.25510943E+01+3.47986732E-02-1.18444590E-05+1.83415878E-09-1.06263255E-13 2
+-2.95119890E+04-1.41568260E+02-2.06912730E+00+1.16142139E-01-8.44026727E-05 3
++3.10689399E-08-4.59880303E-12-1.76383455E+04+4.40292848E+01 4
+AC8H16OOH-C C 8O 2H 17 G 300.00 5000.00 1389.00 1
++3.07262781E+01+3.73278652E-02-1.29171084E-05+2.02116922E-09-1.17905143E-13 2
+-2.98447203E+04-1.31584073E+02+1.37822561E+00+1.01363546E-01-6.53502993E-05 3
++2.12486815E-08-2.79452649E-12-1.91404617E+04+2.77383760E+01 4
+AC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.80443391E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.64331259E+04+4.17717295E+01 4
+BC8H16OOH-C C 8O 2H 17 G 300.00 5000.00 1390.00 1
++3.17641522E+01+3.64992527E-02-1.26438443E-05+1.97989245E-09-1.15559672E-13 2
+-3.25683115E+04-1.38935214E+02+4.50202986E-01+1.07139372E-01-7.31797889E-05 3
++2.55227551E-08-3.63601201E-12-2.14096422E+04+3.01864197E+01 4
+BC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1395.00 1
++3.29649795E+01+3.54521526E-02-1.22760697E-05+1.92175602E-09-1.12143669E-13 2
+-3.05966248E+04-1.44760131E+02-3.22207871E+00+1.26635635E-01-1.02426709E-04 3
++4.32557714E-08-7.44990097E-12-1.86411004E+04+4.73182493E+01 4
+BC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1395.00 1
++3.29649795E+01+3.54521526E-02-1.22760697E-05+1.92175602E-09-1.12143669E-13 2
+-3.05966248E+04-1.45857263E+02-3.22207871E+00+1.26635635E-01-1.02426709E-04 3
++4.32557714E-08-7.44990097E-12-1.86411004E+04+4.62211179E+01 4
+CC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.30252762E+01+3.53441853E-02-1.22263715E-05+1.91270947E-09-1.11565017E-13 2
+-3.08189254E+04-1.47704169E+02-2.05751270E+00+1.22565802E-01-9.71043924E-05 3
++4.02046214E-08-6.81002951E-12-1.91154529E+04+3.89226152E+01 4
+CC8H16OOH-B C 8O 2H 17 G 300.00 5000.00 1391.00 1
++3.31608087E+01+3.44400431E-02-1.17524342E-05+1.82282432E-09-1.05717658E-13 2
+-3.22520616E+04-1.47957290E+02-2.10615358E+00+1.19486353E-01-9.04973544E-05 3
++3.51127559E-08-5.51947072E-12-2.03466672E+04+4.03799994E+01 4
+CC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.30252762E+01+3.53441853E-02-1.22263715E-05+1.91270947E-09-1.11565017E-13 2
+-3.08189254E+04-1.46607038E+02-2.05751270E+00+1.22565802E-01-9.71043924E-05 3
++4.02046214E-08-6.81002951E-12-1.91154529E+04+4.00197465E+01 4
+DC8H16OOH-C C 8O 2H 17 G 300.00 5000.00 1389.00 1
++3.07262781E+01+3.73278652E-02-1.29171084E-05+2.02116922E-09-1.17905143E-13 2
+-2.94421033E+04-1.31986690E+02+1.37822561E+00+1.01363546E-01-6.53502993E-05 3
++2.12486815E-08-2.79452649E-12-1.87378447E+04+2.73357589E+01 4
+DC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.76417221E+04-1.41668184E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.60305089E+04+4.06745981E+01 4
+DC8H16OOH-B C 8O 2H 17 G 300.00 5000.00 1390.00 1
++3.25510943E+01+3.47986732E-02-1.18444590E-05+1.83415878E-09-1.06263255E-13 2
+-2.91093720E+04-1.42665392E+02-2.06912730E+00+1.16142139E-01-8.44026727E-05 3
++3.10689399E-08-4.59880303E-12-1.72357285E+04+4.29321534E+01 4
+DC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.76417221E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.60305089E+04+4.17717295E+01 4
+IC8ETERAA H 16C 8O 1 G 300.00 5000.00 1402.00 1
++2.76609620E+01+3.54374921E-02-1.20270463E-05+1.85781053E-09-1.07416032E-13 2
+-3.72560156E+04-1.22979949E+02-5.82996279E+00+1.17708720E-01-8.97428356E-05 3
++3.53445608E-08-5.64033758E-12-2.61196792E+04+5.53022894E+01 4
+IC8ETERAB H 16C 8O 1 G 300.00 5000.00 1403.00 1
++2.76798014E+01+3.59323006E-02-1.23072657E-05+1.91269208E-09-1.11054254E-13 2
+-4.05912134E+04-1.25295695E+02-7.80049041E+00+1.23580877E-01-9.58621529E-05 3
++3.83545262E-08-6.21761428E-12-2.88197649E+04+6.34400053E+01 4
+IC8ETERAC H 16C 8O 1 G 300.00 5000.00 1401.00 1
++2.74247596E+01+3.63922171E-02-1.24291523E-05+1.92815283E-09-1.11818455E-13 2
+-5.27913842E+04-1.27246044E+02-9.59187284E+00+1.28236477E-01-1.00326484E-04 3
++4.03884956E-08-6.57333725E-12-4.05657072E+04+6.94955343E+01 4
+IC8ETERAD H 16C 8O 1 G 300.00 5000.00 1397.00 1
++2.74697925E+01+3.70247038E-02-1.27040472E-05+1.97715113E-09-1.14923606E-13 2
+-5.22136867E+04-1.30074996E+02-1.00898551E+01+1.26532107E-01-9.39774615E-05 3
++3.53987472E-08-5.36309552E-12-3.94622646E+04+7.08239447E+01 4
+IC8ETERBC H 16C 8O 1 G 300.00 5000.00 1401.00 1
++2.91314751E+01+3.43774014E-02-1.17923055E-05+1.83443368E-09-1.06580097E-13 2
+-4.33290883E+04-1.34137270E+02-6.52843292E+00+1.25863708E-01-1.03309536E-04 3
++4.39589623E-08-7.56138322E-12-3.17916901E+04+5.44269645E+01 4
+IC8ETERBD H 16C 8O 1 G 300.00 5000.00 1403.00 1
++2.76798014E+01+3.59323006E-02-1.23072657E-05+1.91269208E-09-1.11054254E-13 2
+-4.05912134E+04-1.26392826E+02-7.80049041E+00+1.23580877E-01-9.58621529E-05 3
++3.83545262E-08-6.21761428E-12-2.88197649E+04+6.23428739E+01 4
+IC8ETERCD H 16C 8O 1 G 300.00 5000.00 1400.00 1
++2.86413961E+01+3.45920154E-02-1.18240709E-05+1.83517355E-09-1.06458193E-13 2
+-4.05813126E+04-1.30367926E+02-5.78684465E+00+1.20680536E-01-9.52827789E-05 3
++3.89816643E-08-6.47007880E-12-2.92421013E+04+5.24386522E+01 4
+IC8ETERDD H 16C 8O 1 G 300.00 5000.00 1400.00 1
++2.73556138E+01+3.59638195E-02-1.22682161E-05+1.90171108E-09-1.10226910E-13 2
+-3.79302663E+04-1.24315287E+02-7.58698592E+00+1.20473410E-01-9.05271586E-05 3
++3.48575822E-08-5.42424035E-12-2.61839898E+04+6.21571345E+01 4
+AC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+AC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.61072392E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.15232002E+01 4
+AC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62468861E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.67518862E+01 4
+AC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+BC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.75785800E+01+3.64513715E-02-1.26763216E-05+1.99010404E-09-1.16363556E-13 2
+-5.25653329E+04-1.68169424E+02-1.49381512E+00+1.36761538E-01-1.14348621E-04 3
++4.99098535E-08-8.85373352E-12-3.97954365E+04+3.86453145E+01 4
+BC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.61072392E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.15232002E+01 4
+BC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.62169524E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.04260689E+01 4
+CC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62876511E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.63442364E+01 4
+CC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.75785800E+01+3.64513715E-02-1.26763216E-05+1.99010404E-09-1.16363556E-13 2
+-5.25653329E+04-1.68169424E+02-1.49381512E+00+1.36761538E-01-1.14348621E-04 3
++4.99098535E-08-8.85373352E-12-3.97954365E+04+3.86453145E+01 4
+CC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62468861E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.67518862E+01 4
+DC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62876511E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.63442364E+01 4
+DC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56936971E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.82699565E+01 4
+DC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.62169524E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.04260689E+01 4
+DC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+IC8KETAA H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.37853567E+01+3.48956991E-02-1.21173465E-05+1.90061451E-09-1.11065193E-13 2
+-6.30868047E+04-1.46707041E+02-1.64582765E+00+1.20217054E-01-9.16818443E-05 3
++3.60846240E-08-5.80275885E-12-5.10311149E+04+4.26871803E+01 4
+IC8KETAB H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.47134000E+01+3.41945225E-02-1.18952719E-05+1.86805496E-09-1.09255878E-13 2
+-6.57745821E+04-1.53035860E+02-2.37786754E+00+1.24999274E-01-9.81048338E-05 3
++3.95573283E-08-6.48097453E-12-5.33254847E+04+4.46667297E+01 4
+IC8KETAC H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.45066719E+01+3.43206253E-02-1.19269336E-05+1.87169276E-09-1.09412647E-13 2
+-6.62608600E+04-1.53281052E+02-1.79570223E+00+1.24085304E-01-9.85298875E-05 3
++4.05270269E-08-6.79640096E-12-5.41257970E+04+3.99674075E+01 4
+IC8KETAD H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.37853567E+01+3.48956991E-02-1.21173465E-05+1.90061451E-09-1.11065193E-13 2
+-6.30868047E+04-1.46707041E+02-1.64582765E+00+1.20217054E-01-9.16818443E-05 3
++3.60846240E-08-5.80275885E-12-5.10311149E+04+4.26871803E+01 4
+IC8KETBA H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.36880261E+01+3.51530815E-02-1.22449632E-05+1.92459229E-09-1.12625930E-13 2
+-6.57501190E+04-1.47550024E+02-3.65722567E+00+1.27159677E-01-1.00732622E-04 3
++4.13367943E-08-6.92386575E-12-5.32214668E+04+5.13886594E+01 4
+IC8KETBC H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.50696425E+01+3.40096645E-02-1.18587999E-05+1.86530452E-09-1.09217949E-13 2
+-6.88169429E+04-1.58744646E+02-3.14440571E+00+1.26997795E-01-9.92838921E-05 3
++3.96018910E-08-6.39794193E-12-5.59585699E+04+4.51031280E+01 4
+IC8KETBD H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.36880261E+01+3.51530815E-02-1.22449632E-05+1.92459229E-09-1.12625930E-13 2
+-6.57501190E+04-1.47957674E+02-3.65722567E+00+1.27159677E-01-1.00732622E-04 3
++4.13367943E-08-6.92386575E-12-5.32214668E+04+5.09810097E+01 4
+IC8KETDA H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.37567781E+01+3.48947879E-02-1.21110491E-05+1.89897571E-09-1.10942203E-13 2
+-6.34053810E+04-1.46504034E+02-1.90202597E+00+1.21572025E-01-9.39028715E-05 3
++3.75062860E-08-6.11797234E-12-5.13502815E+04+4.38246582E+01 4
+IC8KETDB H 16C 8O 3 G 300.00 5000.00 1395.00 1
++3.47542216E+01+3.41135713E-02-1.18569613E-05+1.86098174E-09-1.08799437E-13 2
+-6.61213882E+04-1.53639919E+02-2.64616572E+00+1.26354081E-01-1.00157081E-04 3
++4.07840374E-08-6.73818789E-12-5.36421698E+04+4.54596528E+01 4
+IC8KETDC H 16C 8O 3 G 300.00 5000.00 1395.00 1
++3.51792772E+01+3.37381618E-02-1.17250740E-05+1.84020986E-09-1.07584482E-13 2
+-6.64895512E+04-1.57936324E+02-1.58826532E+00+1.22408280E-01-9.39524343E-05 3
++3.67003701E-08-5.79705545E-12-5.40609009E+04+3.84395166E+01 4
+IC8KETDD H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.37567781E+01+3.48947879E-02-1.21110491E-05+1.89897571E-09-1.10942203E-13 2
+-6.34053810E+04-1.47601165E+02-1.90202597E+00+1.21572025E-01-9.39028715E-05 3
++3.75062860E-08-6.11797234E-12-5.13502815E+04+4.27275269E+01 4
+CC8H16OH-B C 8O 1H 17 G 300.00 5000.00 1391.00 1
++2.99669394E+01+3.36833754E-02-1.12165522E-05+1.71225938E-09-9.82418884E-14 2
+-4.15420661E+04-1.32271564E+02-2.87689827E+00+1.11482896E-01-8.08081607E-05 3
++2.96268389E-08-4.33297023E-12-3.04051599E+04+4.34716318E+01 4
+BC8H16OH-C C 8O 1H 17 G 300.00 5000.00 1396.00 1
++2.73071221E+01+3.73062264E-02-1.27306762E-05+1.97331176E-09-1.14355872E-13 2
+-4.03341181E+04-1.16371644E+02-2.95390133E-03+9.84557966E-02-6.43904921E-05 3
++2.15914295E-08-2.94525109E-12-3.05712666E+04+3.12607389E+01 4
+CC8H16OH-BO2 C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.27331948E+01+3.72943966E-02-1.27101629E-05+1.96840530E-09-1.14001456E-13 2
+-5.98974914E+04-1.41668291E+02-1.01489887E+00+1.23437073E-01-9.88861679E-05 3
++4.18262980E-08-7.22470368E-12-4.88785713E+04+3.70357488E+01 4
+CC8H16O-BO2H C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.51419039E+01+3.55476965E-02-1.21767888E-05+1.89258894E-09-1.09895460E-13 2
+-5.28900671E+04-1.56477808E+02-1.93158929E+00+1.30258417E-01-1.06389100E-04 3
++4.49887457E-08-7.69050188E-12-4.08663072E+04+3.96858637E+01 4
+CC8H16OH-D C 8O 1H 17 G 300.00 5000.00 1399.00 1
++2.90885755E+01+3.57051012E-02-1.21609712E-05+1.88273709E-09-1.09020453E-13 2
+-3.98058038E+04-1.27825383E+02-3.14476709E+00+1.16182932E-01-9.04611316E-05 3
++3.70273820E-08-6.20095829E-12-2.91289874E+04+4.34505404E+01 4
+DC8H16OH-C C 8O 1H 17 G 300.00 5000.00 1392.00 1
++2.69565769E+01+3.74226654E-02-1.27342704E-05+1.97034001E-09-1.14048459E-13 2
+-3.80802679E+04-1.12796386E+02+2.14519194E-01+9.52857454E-02-5.89435011E-05 3
++1.80555637E-08-2.15185876E-12-2.83374227E+04+3.24504093E+01 4
+BC8H16OH-CO2 C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.25714033E+01+3.73996925E-02-1.27376834E-05+1.97165020E-09-1.14143661E-13 2
+-5.91489607E+04-1.40868935E+02-1.15175027E+00+1.25122316E-01-1.02472582E-04 3
++4.44190635E-08-7.84138960E-12-4.82818942E+04+3.71538044E+01 4
+BC8H16O-CO2H C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.49565016E+01+3.56849135E-02-1.22178739E-05+1.89821145E-09-1.10186458E-13 2
+-5.21350428E+04-1.55548183E+02-1.97309894E+00+1.31501867E-01-1.09342416E-04 3
++4.72136087E-08-8.23107667E-12-4.02833222E+04+3.93673819E+01 4
+CC8H16OH-DO2 C 8O 3H 17 G 300.00 5000.00 1398.00 1
++3.23695985E+01+3.77131763E-02-1.28789334E-05+1.99728040E-09-1.15785161E-13 2
+-5.80394975E+04-1.38326984E+02-1.46705330E-01+1.18354266E-01-9.10679891E-05 3
++3.71021460E-08-6.22158062E-12-4.71750407E+04+3.47110249E+01 4
+CC8H16O-DO2H C 8O 3H 17 G 300.00 5000.00 1398.00 1
++3.47789129E+01+3.59653495E-02-1.23450444E-05+1.92137125E-09-1.11673282E-13 2
+-5.10322495E+04-1.53139778E+02-1.06380331E+00+1.25177078E-01-9.85722976E-05 3
++4.02647881E-08-6.68729477E-12-3.91627086E+04+3.73630837E+01 4
+DC8H16OH-CO2 C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.20523506E+01+3.76750697E-02-1.27977739E-05+1.97752875E-09-1.14348441E-13 2
+-5.67968277E+04-1.36950337E+02-4.59393179E-01+1.20088443E-01-9.45910698E-05 3
++3.95062801E-08-6.76037390E-12-4.61257195E+04+3.54073839E+01 4
+DC8H16O-CO2H C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.44608014E+01+3.59290140E-02-1.22647176E-05+1.90177205E-09-1.10246328E-13 2
+-4.97893865E+04-1.51758563E+02-1.37464241E+00+1.26903569E-01-1.02085221E-04 3
++4.26637978E-08-7.22519508E-12-3.81136770E+04+3.80507929E+01 4
+IC6H13CHO-B H 14O 1C 7 G 300.00 5000.00 1395.00 1
++2.46801791E+01+3.05595044E-02-1.04858321E-05+1.63162811E-09-9.48178090E-14 2
+-4.65754535E+04-1.04698688E+02-2.06186556E+00+9.26532225E-02-6.54344358E-05 3
++2.37101741E-08-3.49699025E-12-3.72734650E+04+3.90181366E+01 4
+IC6H13CO-B H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.43249509E+01+2.83881621E-02-9.75334056E-06+1.51900476E-09-8.83292303E-14 2
+-2.76437026E+04-1.01160179E+02-1.36348633E+00+8.81636722E-02-6.26953163E-05 3
++2.27706971E-08-3.35325060E-12-1.87338419E+04+3.68275476E+01 4
+AC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.42514472E+01+2.84438313E-02-9.77077660E-06+1.52152073E-09-8.84667232E-14 2
+-2.15083432E+04-9.95417905E+01-1.27560491E+00+8.80197598E-02-6.28266939E-05 3
++2.29973864E-08-3.42459126E-12-1.26633185E+04+3.75312437E+01 4
+CC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1382.00 1
++2.48743929E+01+2.69185384E-02-9.05081747E-06+1.39097340E-09-8.01916208E-14 2
+-2.31625239E+04-1.02607483E+02-1.11832797E+00+8.38509118E-02-5.40513965E-05 3
++1.62768539E-08-1.73372622E-12-1.39236337E+04+3.80574211E+01 4
+DC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1382.00 1
++2.48743929E+01+2.69185384E-02-9.05081747E-06+1.39097340E-09-8.01916208E-14 2
+-2.31625239E+04-1.02607483E+02-1.11832797E+00+8.38509118E-02-5.40513965E-05 3
++1.62768539E-08-1.73372622E-12-1.39236337E+04+3.80574211E+01 4
+EC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.42514472E+01+2.84438313E-02-9.77077660E-06+1.52152073E-09-8.84667232E-14 2
+-2.15083432E+04-9.95417905E+01-1.27560491E+00+8.80197598E-02-6.28266939E-05 3
++2.29973864E-08-3.42459126E-12-1.26633185E+04+3.75312437E+01 4
+IC6H13CHO-D H 14O 1C 7 G 300.00 5000.00 1393.00 1
++2.33841323E+01+3.17477398E-02-1.09128332E-05+1.69988637E-09-9.88517244E-14 2
+-4.61923369E+04-9.59715359E+01-1.46105990E+00+8.75877547E-02-5.84960853E-05 3
++2.00522034E-08-2.81158003E-12-3.73170744E+04+3.82873196E+01 4
+IC6H13CO-D H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.29686550E+01+2.96146721E-02-1.01906719E-05+1.58857460E-09-9.24272780E-14 2
+-2.72309483E+04-9.20709572E+01-6.86869182E-01+8.27820874E-02-5.54303759E-05 3
++1.89761388E-08-2.64754131E-12-1.87886291E+04+3.57456884E+01 4
+AC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.29422764E+01+2.96497030E-02-1.02052918E-05+1.59110021E-09-9.25835423E-14 2
+-2.11195896E+04-9.07378844E+01-6.20686634E-01+8.27433784E-02-5.56197091E-05 3
++1.91977760E-08-2.71224209E-12-1.27157934E+04+3.65442569E+01 4
+BC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1384.00 1
++2.14175606E+01+3.09495570E-02-1.06544077E-05+1.66125209E-09-9.66692969E-14 2
+-2.30307400E+04-8.18874481E+01+2.54734237E+00+6.58788027E-02-3.13192641E-05 3
++4.98367270E-09+2.58513070E-13-1.55144710E+04+2.27833491E+01 4
+CC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1377.00 1
++2.36496570E+01+2.78646436E-02-9.35641593E-06+1.43651362E-09-8.27557401E-14 2
+-2.27807364E+04-9.42101917E+01-5.82108737E-01+7.90543012E-02-4.75520142E-05 3
++1.28281319E-08-1.07735977E-12-1.39564582E+04+3.76321513E+01 4
+DC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1389.00 1
++2.32412991E+01+2.94013946E-02-1.01210871E-05+1.57812201E-09-9.18349976E-14 2
+-2.67973204E+04-9.47460288E+01+7.18129174E-01+7.97814021E-02-5.30878535E-05 3
++1.83105964E-08-2.61673962E-12-1.86909366E+04+2.71126725E+01 4
+EC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.29422764E+01+2.96497030E-02-1.02052918E-05+1.59110021E-09-9.25835423E-14 2
+-2.11195896E+04-9.07378844E+01-6.20686634E-01+8.27433784E-02-5.56197091E-05 3
++1.91977760E-08-2.71224209E-12-1.27157934E+04+3.65442569E+01 4
+IC3H7COC3H7-I H 14O 1C 7 G 300.00 5000.00 1392.00 1
++2.33276646E+01+3.20863768E-02-1.10937810E-05+1.73479615E-09-1.01153632E-13 2
+-5.00583595E+04-9.78174337E+01-3.77585100E+00+9.59989717E-02-6.97829151E-05 3
++2.67759950E-08-4.27869423E-12-4.06227575E+04+4.76721021E+01 4
+IC3H7COC3H6-I H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.29197125E+01+2.99259872E-02-1.03576174E-05+1.62082600E-09-9.45553922E-14 2
+-2.49969691E+04-9.20831444E+01-3.08347340E+00+9.17572601E-02-6.77286761E-05 3
++2.63790309E-08-4.27043261E-12-1.59977356E+04+4.73147359E+01 4
+IC3H7COC3H6-T H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.30231691E+01+2.97793536E-02-1.02936733E-05+1.60942385E-09-9.38330580E-14 2
+-3.05668554E+04-9.55768500E+01-6.60479235E-01+8.38430170E-02-5.79348944E-05 3
++2.10237414E-08-3.18960231E-12-2.21318078E+04+3.22077356E+01 4
+TC4H9COC2H5 H 14O 1C 7 G 300.00 5000.00 1392.00 1
++2.43139145E+01+3.09986190E-02-1.06645066E-05+1.66226165E-09-9.67097097E-14 2
+-5.03935537E+04-1.03085400E+02-2.34985894E+00+9.42069281E-02-6.88140380E-05 3
++2.64112105E-08-4.19878070E-12-4.11774516E+04+3.98705615E+01 4
+TC4H8COC2H5 H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.38716283E+01+2.88997528E-02-9.95637975E-06+1.55335028E-09-9.04327880E-14 2
+-2.53210694E+04-9.78558263E+01-1.56581379E+00+8.96020058E-02-6.62908845E-05 3
++2.57733725E-08-4.14672273E-12-1.65673043E+04+3.83858873E+01 4
+TC4H9COC2H4S H 13O 1C 7 G 300.00 5000.00 1394.00 1
++2.44311775E+01+2.85604759E-02-9.86991067E-06+1.54307557E-09-8.99661771E-14 2
+-3.02612030E+04-1.04211609E+02-2.86500441E+00+9.45587402E-02-7.18382514E-05 3
++2.84095909E-08-4.60883988E-12-2.09863386E+04+4.16255786E+01 4
+TC4H9COC2H4P H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.38716283E+01+2.88997528E-02-9.95637975E-06+1.55335028E-09-9.04327880E-14 2
+-2.53210694E+04-9.78558263E+01-1.56581379E+00+8.96020058E-02-6.62908845E-05 3
++2.57733725E-08-4.14672273E-12-1.65673043E+04+3.83858873E+01 4
+NEOC5H11COCH3 H 14O 1C 7 G 300.00 5000.00 1390.00 1
++2.43486596E+01+3.06917909E-02-1.05004224E-05+1.63082524E-09-9.46511062E-14 2
+-5.07352310E+04-1.03291547E+02-1.46390909E+00+9.05685950E-02-6.37865551E-05 3
++2.33501459E-08-3.52135242E-12-4.17111247E+04+3.55185522E+01 4
+NEOC5H10COCH3 H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.39256329E+01+2.85722552E-02-9.78428852E-06+1.52057894E-09-8.82932128E-14 2
+-2.56709397E+04-9.81734931E+01-6.89460021E-01+8.60015804E-02-6.12862996E-05 3
++2.27088339E-08-3.46573783E-12-1.70995937E+04+3.40782918E+01 4
+TC4H9CHCOCH3 H 13O 1C 7 G 300.00 5000.00 1394.00 1
++2.42666643E+01+2.85991118E-02-9.86099273E-06+1.53937608E-09-8.96576896E-14 2
+-3.05411954E+04-1.03331843E+02-1.85925046E+00+9.03847676E-02-6.61632235E-05 3
++2.50957244E-08-3.90449871E-12-2.15371579E+04+3.67240737E+01 4
+NEOC5H11COCH2 H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.39256329E+01+2.85722552E-02-9.78428852E-06+1.52057894E-09-8.82932128E-14 2
+-2.56709397E+04-9.81734931E+01-6.89460021E-01+8.60015804E-02-6.12862996E-05 3
++2.27088339E-08-3.46573783E-12-1.70995937E+04+3.40782918E+01 4
+NEOC6H13CHO H 14O 1C 7 G 300.00 5000.00 1390.00 1
++2.48969600E+01+2.98733076E-02-1.01450449E-05+1.56812987E-09-9.07200142E-14 2
+-4.70628380E+04-1.05562716E+02-1.07662033E+00+9.06315437E-02-6.44711218E-05 3
++2.36973093E-08-3.55917227E-12-3.80746419E+04+3.38641362E+01 4
+NEOC6H13CO H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.44942743E+01+2.77558577E-02-9.43402090E-06+1.45914685E-09-8.44547842E-14 2
+-2.81132437E+04-1.01752249E+02-2.87709630E-01+8.57649866E-02-6.12854159E-05 3
++2.25486149E-08-3.38121978E-12-1.95488023E+04+3.12520715E+01 4
+FC6H12CHO H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.44790270E+01+2.77234012E-02-9.41318956E-06+1.45492224E-09-8.41703414E-14 2
+-2.19960556E+04-1.00455738E+02-2.96237000E-01+8.60441847E-02-6.19619487E-05 3
++2.30482594E-08-3.50036387E-12-1.34640410E+04+3.24008289E+01 4
+GC6H12CHO H 13O 1C 7 G 300.00 5000.00 1379.00 1
++2.47015833E+01+2.71261493E-02-9.13422284E-06+1.40508985E-09-8.10539274E-14 2
+-2.35689644E+04-1.01453485E+02+2.26026624E-01+8.03948916E-02-5.12654503E-05 3
++1.55470699E-08-1.72614040E-12-1.47828461E+04+3.12101951E+01 4
+HC6H12CHO H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.46367754E+01+2.81015703E-02-9.64943101E-06+1.50224000E-09-8.73303956E-14 2
+-2.68070892E+04-1.04624439E+02-1.49153599E+00+9.06166557E-02-6.72533407E-05 3
++2.58235090E-08-4.05008952E-12-1.78994662E+04+3.51456906E+01 4
+IC4H7COCH3 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.83434395E+01+2.44109312E-02-8.44066563E-06+1.31997092E-09-7.69676934E-14 2
+-2.87734922E+04-6.84353349E+01+3.45161845E-02+6.50244770E-02-4.29538366E-05 3
++1.48194489E-08-2.14333203E-12-2.21163912E+04+3.07996675E+01 4
+IC4H7COCH2 C 6H 9O 1 G 300.00 5000.00 1390.00 1
++1.89479328E+01+2.14495345E-02-7.44167879E-06+1.16641630E-09-6.81239978E-14 2
+-7.41585721E+03-7.21913218E+01-3.53963022E-01+6.78928719E-02-5.13106907E-05 3
++2.05242684E-08-3.41203256E-12-7.76525564E+02+3.11124973E+01 4
+IC3H5CHCOCH3 C 6H 9O 1 G 300.00 5000.00 1390.00 1
++1.85845410E+01+2.17712979E-02-7.55624175E-06+1.18472459E-09-6.92089797E-14 2
+-8.68657098E+03-7.02588276E+01-5.58003073E-01+6.54550516E-02-4.56848950E-05 3
++1.64019601E-08-2.42048198E-12-1.90754088E+03+3.29624279E+01 4
+AC3H4CH2COCH3 C 6H 9O 1 G 300.00 5000.00 1391.00 1
++1.87819321E+01+2.19577231E-02-7.60408813E-06+1.19041134E-09-6.94658765E-14 2
+-1.05343919E+04-7.09624946E+01-9.11540358E-01+6.96528187E-02-5.29708390E-05 3
++2.13358360E-08-3.56619587E-12-3.79565358E+03+3.43197159E+01 4
+XC7H13OOH-X1 H 14O 2C 7 G 300.00 5000.00 1394.00 1
++2.66362046E+01+3.11410133E-02-1.07093968E-05+1.66864245E-09-9.70500546E-14 2
+-3.34516870E+04-1.08689560E+02+7.76412273E-01+9.32733765E-02-6.90302856E-05 3
++2.71131412E-08-4.42624208E-12-2.45737159E+04+2.96983529E+01 4
+XC7H13O-X1 H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.30727261E+01+2.95368852E-02-1.00745564E-05+1.56133137E-09-9.04775996E-14 2
+-1.29725199E+04-9.30554662E+01-7.75300249E-01+8.49646400E-02-5.94662144E-05 3
++2.16918278E-08-3.26005551E-12-4.65154069E+03+3.51414119E+01 4
+YC7H13OOH-X1 H 14O 2C 7 G 300.00 5000.00 1393.00 1
++2.64186836E+01+3.13780397E-02-1.08030073E-05+1.68451079E-09-9.80255605E-14 2
+-3.47896774E+04-1.08001178E+02+1.02249456E+00+9.09767571E-02-6.50991461E-05 3
++2.46035886E-08-3.87389704E-12-2.59288402E+04+2.84096505E+01 4
+YC7H13O-X1 H 13O 1C 7 G 300.00 5000.00 1391.00 1
++2.25900151E+01+2.99295397E-02-1.02060513E-05+1.58143556E-09-9.16308406E-14 2
+-1.41654513E+04-9.07429884E+01-1.81317091E-01+8.13808255E-02-5.43600432E-05 3
++1.87652595E-08-2.65959040E-12-6.06275977E+03+3.22056507E+01 4
+OC7H13OOH-N H 14O 2C 7 G 300.00 5000.00 1397.00 1
++2.74150209E+01+3.04497504E-02-1.04670931E-05+1.63063783E-09-9.48366783E-14 2
+-3.48277636E+04-1.15279505E+02-3.05484500E-01+9.61949401E-02-7.03532581E-05 3
++2.65693066E-08-4.09705497E-12-2.53195779E+04+3.32124833E+01 4
+OC7H13O-N H 13O 1C 7 G 300.00 5000.00 1396.00 1
++2.39390176E+01+2.87225504E-02-9.77892351E-06+1.51385879E-09-8.76662134E-14 2
+-1.46526171E+04-9.97092488E+01-2.66228512E+00+9.33258885E-02-7.03068767E-05 3
++2.75067837E-08-4.39060053E-12-5.69431956E+03+4.22270419E+01 4
+XC7H13OOH-Z H 14O 2C 7 G 300.00 5000.00 1392.00 1
++2.77344809E+01+3.06208930E-02-1.06227239E-05+1.66488546E-09-9.72302336E-14 2
+-3.55197897E+04-1.16497773E+02-1.48503090E+00+1.04030621E-01-8.36343827E-05 3
++3.56106876E-08-6.23762247E-12-2.57692851E+04+3.88009911E+01 4
+PC7H13OOH-O H 14O 2C 7 G 300.00 5000.00 1406.00 1
++2.88747280E+01+2.87658684E-02-9.79083754E-06+1.51536577E-09-8.77386311E-14 2
+-3.37434295E+04-1.24954947E+02-3.02722062E+00+1.11019293E-01-9.17829120E-05 3
++3.88307706E-08-6.58157021E-12-2.35462632E+04+4.34529948E+01 4
+OC7H13OOH-Q H 14O 2C 7 G 300.00 5000.00 1398.00 1
++2.75660499E+01+3.03391648E-02-1.04316827E-05+1.62530194E-09-9.45307884E-14 2
+-3.45006038E+04-1.15756154E+02-7.90734105E-01+1.00002634E-01-7.70002750E-05 3
++3.09783801E-08-5.10292520E-12-2.49866577E+04+3.53369865E+01 4
+OC7H13O-Q H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.48114551E+01+2.73357475E-02-9.17594314E-06+1.40814702E-09-8.10840729E-14 2
+-1.43009513E+04-1.05674605E+02-2.40308163E+00+9.16558423E-02-6.66066314E-05 3
++2.44184717E-08-3.57059788E-12-5.04996482E+03+4.00121981E+01 4
+XC7H13OOH-Y2 H 14O 2C 7 G 300.00 5000.00 1397.00 1
++2.67879504E+01+3.07897437E-02-1.05385579E-05+1.63676557E-09-9.49819719E-14 2
+-3.66745351E+04-1.11694404E+02+9.22602794E-01+9.45450815E-02-7.20937380E-05 3
++2.92248746E-08-4.89592286E-12-2.79723024E+04+2.61235641E+01 4
+XC7H13O-Y2 H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.34502681E+01+2.93961478E-02-1.00625079E-05+1.56299241E-09-9.07095315E-14 2
+-1.70842806E+04-9.65158529E+01-1.00666852E+00+8.94593772E-02-6.79868664E-05 3
++2.75737914E-08-4.63787960E-12-8.81465736E+03+3.39090116E+01 4
+YC7H13OOH-X2 H 14O 2C 7 G 300.00 5000.00 1392.00 1
++2.59633940E+01+3.17761504E-02-1.09429861E-05+1.70664641E-09-9.93263248E-14 2
+-3.49851761E+04-1.03963771E+02+1.57763619E+00+8.69613937E-02-5.88014368E-05 3
++2.07462381E-08-3.04306705E-12-2.62712900E+04+2.77464575E+01 4
+YC7H13O-X2 H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.22568730E+01+3.03747275E-02-1.03924985E-05+1.61372704E-09-9.36327358E-14 2
+-1.47112471E+04-8.70694731E+01-3.89617202E-01+8.25257681E-02-5.67350163E-05 3
++2.06158021E-08-3.13125784E-12-6.70837928E+03+3.49278519E+01 4
+CC6H11-D H 11C 6 G 300.00 5000.00 1391.00 1
++1.66759139E+01+2.55188994E-02-8.75271262E-06+1.36122037E-09-7.90628889E-14 2
++1.25816223E+04-6.17581772E+01+2.79892305E-01+6.08090233E-02-3.74358651E-05 3
++1.19198836E-08-1.57803419E-12+1.86591061E+04+2.75036232E+01 4
+DC6H11-D H 11C 6 G 300.00 5000.00 1392.00 1
++1.71678488E+01+2.50927881E-02-8.60445951E-06+1.33799261E-09-7.77083423E-14 2
++1.37739196E+04-6.41092420E+01-1.02888525E-01+6.34862322E-02-4.12460161E-05 3
++1.40677187E-08-2.01119123E-12+2.00376607E+04+2.94552886E+01 4
+IC3H6CHCOCH3 C 6O 1H 10 G 300.00 5000.00 1386.00 1
++1.84663850E+01+2.44259450E-02-8.47213874E-06+1.32761050E-09-7.75224614E-14 2
+-3.27396361E+04-7.08968496E+01+8.85427322E-01+6.25311280E-02-4.00028998E-05 3
++1.33360139E-08-1.87537015E-12-2.62281818E+04+2.47595184E+01 4
+AC3H5CHCOCH3 C 6H 9O 1 G 300.00 5000.00 1386.00 1
++1.94093580E+01+2.12803450E-02-7.43394792E-06+1.17058928E-09-6.85879838E-14 2
+-1.47343669E+04-7.63296154E+01+3.32194844E-01+6.50925472E-02-4.64483778E-05 3
++1.73165694E-08-2.69407590E-12-7.95952457E+03+2.65201335E+01 4
+IC3H6CHCOCH2 C 6H 9O 1 G 300.00 5000.00 1388.00 1
++1.90576522E+01+2.14419783E-02-7.45801114E-06+1.17093650E-09-6.84668640E-14 2
+-1.13718745E+04-7.45617262E+01+6.52612117E-01+6.46089181E-02-4.71213384E-05 3
++1.82350555E-08-2.95881586E-12-4.90902385E+03+2.43728654E+01 4
+C6H5C2H C 8H 6 G 300.00 3000.00 1000.00 1
++6.44145000E+00+4.17414100E-02-2.27722800E-05+5.89460800E-09-5.89533100E-13 2
++3.52722500E+04-9.47126000E+00+1.59415000E+00+3.13970000E-02+6.45489100E-05 3
+-1.25221100E-07+5.84069900E-11+3.71643100E+04+1.96526200E+01 4
+C4H2 H 2C 4 G 300.00 5000.00 1000.00 1
++5.76571900E+00+1.17533000E-02-5.03880100E-06+9.46430000E-10-6.54142600E-14 2
++5.48721100E+04-5.72544100E+00+3.97098100E+00+2.12044900E-02-1.70073100E-05 3
++5.16733800E-09+5.91768600E-15+5.48612600E+04+1.78043500E+00 4
+NC4H3 C 4H 3 G 300.00 5000.00 1000.00 1
++8.13818400E+00+8.48296400E-03-2.27318800E-06+3.05661700E-10-1.67390500E-14 2
++6.24260900E+04-1.54147500E+01+1.39888300E+00+3.25280500E-02-3.44238900E-05 3
++1.99648200E-08-4.82594700E-12+6.39068000E+04+1.78182000E+01 4
+C7H6 C 7H 6 G 300.00 5000.00 1000.00 1
++1.68334800E+01+1.67226500E-02-5.67220600E-06+9.04025300E-10-5.57004300E-14 2
++5.19756600E+04-5.93362200E+01+4.48147900E-01+6.21777000E-02-4.53888500E-05 3
++1.03357400E-08+1.14743800E-12+5.62738000E+04+2.48082600E+01 4
+C6H5CH3 H 8C 7 G 300.00 5000.00 1389.00 1
++1.63091542E+01+2.25331612E-02-7.84281827E-06+1.23200630E-09-7.20675043E-14 2
+-2.75804095E+03-6.66759774E+01-4.08982289E+00+6.86477374E-02-4.74716566E-05 3
++1.67001205E-08-2.39578007E-12+4.49937542E+03+4.34582591E+01 4
+C6H5CH2J H 7C 7 G 200.00 6000.00 1000.00 1
++1.40439800E+01+2.34938730E-02-8.53753670E-06+1.38908410E-09-8.36144200E-14 2
++1.85642030E+04-5.16655890E+01+4.81115400E-01+3.85128320E-02+3.28614920E-05 3
+-7.69727210E-08+3.54230680E-11+2.33070270E+04+2.35488200E+01 4
+OC6H4CH3 O 1H 7C 7 G 300.00 5000.00 1000.00 1
++6.32623400E+00+3.70920700E-02-1.37369600E-05+2.32847100E-09-1.49701800E-13 2
+-1.56635900E+03-4.68621100E+00-4.03964400E+00+7.39909500E-02-5.15945300E-05 3
++1.20372800E-08+1.43210200E-12+2.25707600E+02+4.53169300E+01 4
+HOC6H4CH3 H 8O 1C 7 G 300.00 5000.00 1000.00 1
++3.93691600E+00+4.57992200E-02-1.89178400E-05+3.46243800E-09-2.34981700E-13 2
+-1.82249900E+04+7.47180900E+00-3.83860400E+00+7.71299700E-02-5.33551100E-05 3
++1.29489800E-08+1.09766300E-12-1.72739200E+04+4.35757400E+01 4
+OC6H4O H 4C 6O 2 G 300.00 5000.00 1390.00 1
++1.89272866E+01+1.34964071E-02-4.81966200E-06+7.70239742E-10-4.56003968E-14 2
+-2.39344268E+04-7.98144011E+01-3.40668328E+00+6.96410107E-02-5.94147062E-05 3
++2.51063875E-08-4.21953602E-12-1.66350329E+04+3.86278633E+01 4
+HOC6H4CH2 O 1H 7C 7 G 300.00 5000.00 1000.00 1
++6.89970000E+00+3.76640500E-02-1.42499000E-05+2.45139600E-09-1.59215300E-13 2
+-1.04378100E+03-7.96692700E+00-4.15304900E+00+7.76998800E-02-5.83028700E-05 3
++1.78677900E-08-5.36299700E-13+8.96696700E+02+4.53288900E+01 4
+HOC6H4CH2OO O 3H 7C 7 G 300.00 5000.00 1000.00 1
++1.01717500E+01+3.94680300E-02-1.47126400E-05+2.50500000E-09-1.61537000E-13 2
+-1.30210900E+04-1.93176200E+01-4.80341700E+00+9.42375400E-02-7.67917700E-05 3
++2.64171400E-08-1.81943100E-12-1.03841000E+04+5.28409600E+01 4
+HOC6H4CH2O O 2H 7C 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+RODC6JDO H 5C 6O 2 G 300.00 5000.00 1400.00 1
++1.78077666E+01+1.57342093E-02-5.31173367E-06+8.17819899E-10-4.71852395E-14 2
+-5.54991746E+03-6.95659926E+01+3.37183470E-01+6.11551836E-02-5.11124475E-05 3
++2.19526855E-08-3.78092218E-12+6.99211714E+00+2.25447460E+01 4
+OXCCXCCJXO C 4H 3O 2 G 300.00 5000.00 1394.00 1
++1.51222766E+01+7.86855773E-03-2.79188673E-06+4.44279496E-10-2.62250597E-14 2
+-1.75413346E+04-5.12157742E+01+4.04651808E-01+4.93578716E-02-4.86244463E-05 3
++2.35936197E-08-4.46549958E-12-1.31321917E+04+2.53224744E+01 4
+BICPD C 10H 10 G 300.00 5000.00 1390.00 1
++2.37376593E+01+3.04584890E-02-1.08284032E-05+1.72545836E-09-1.01947418E-13 2
++1.46634901E+04-1.07726856E+02-2.04390488E+01+1.33899523E-01-1.01916956E-04 3
++3.75374041E-08-5.40373749E-12+2.97634367E+04+1.29084476E+02 4
+C6JYOO H 5C 6O 2 G 300.00 5000.00 1402.00 1
++1.89067274E+01+1.53069535E-02-5.27402706E-06+8.23188147E-10-4.79482227E-14 2
++2.07181075E+04-7.69479534E+01-4.30389058E+00+7.94079577E-02-7.40991946E-05 3
++3.45047697E-08-6.31020034E-12+2.77342644E+04+4.41091500E+01 4
+CY13PD C 5H 6 G 300.00 5000.00 1400.00 1
++1.26467216E+01+1.54049138E-02-5.27976433E-06+8.21090156E-10-4.77026129E-14 2
++9.23782306E+03-4.78698742E+01-4.88591070E+00+6.00252758E-02-4.92777757E-05 3
++2.06970535E-08-3.49397891E-12+1.49171729E+04+4.49199697E+01 4
+C6H5OH C 6O 1H 6 G 300.00 5000.00 1397.00 1
++1.71524986E+01+1.60438540E-02-5.46325607E-06+8.46545276E-10-4.90760276E-14 2
+-1.94633414E+04-6.96841718E+01-4.48630945E+00+7.22845991E-02-6.19803619E-05 3
++2.67795393E-08-4.60013317E-12-1.26013373E+04+4.43727892E+01 4
+STYR C 8H 8 G 300.00 5000.00 1396.00 1
++1.92249323E+01+2.22832599E-02-7.68595290E-06+1.20019881E-09-6.99204017E-14 2
++8.14911011E+03-7.98072202E+01-4.56741365E+00+8.21076898E-02-6.62823107E-05 3
++2.76564392E-08-4.67898025E-12+1.59757463E+04+4.64480792E+01 4
+DICYPD C 10H 12 G 300.00 5000.00 1392.00 1
++2.39749595E+01+3.52708288E-02-1.24700883E-05+1.97979508E-09-1.16678757E-13 2
++8.62179832E+03-1.09672463E+02-2.26739692E+01+1.42960823E-01-1.05472660E-04 3
++3.76048718E-08-5.21352920E-12+2.47285806E+04+1.40949486E+02 4
+CYC5H9 C 5H 9 G 300.00 5000.00 1378.00 1
++1.24946381E+01+2.23549938E-02-7.51362241E-06+1.15415415E-09-6.65065318E-14 2
++6.45390040E+03-4.65796398E+01-5.78089755E+00+5.92878731E-02-3.26281412E-05 3
++7.06409844E-09-1.75407888E-13+1.32581249E+04+5.34176945E+01 4
+BICPDJ C 10H 9 G 300.00 5000.00 1399.00 1
++2.45083550E+01+2.64757146E-02-9.27286602E-06+1.46300495E-09-8.58478665E-14 2
++3.23863450E+04-1.13439904E+02-1.34109066E+01+1.24639346E-01-1.07874970E-04 3
++4.68295361E-08-8.08624375E-12+4.44966038E+04+8.66451589E+01 4
+CXCC(C#C)XC C 6H 6 G 300.00 5000.00 1387.00 1
++1.51766669E+01+1.55012362E-02-5.43228931E-06+8.57195296E-10-5.02984330E-14 2
++3.25609626E+04-5.54334104E+01-3.81178233E-01+5.40352836E-02-4.34005262E-05 3
++1.84672859E-08-3.24815225E-12+3.78339571E+04+2.74962665E+01 4
+CYPDONE C 5H 4O 1 G 300.00 5000.00 1397.00 1
++1.43779472E+01+1.19184228E-02-4.19444268E-06+6.63874349E-10-3.90411169E-14 2
+-3.12321247E+03-5.61146171E+01-4.15438982E+00+6.11975086E-02-5.52982224E-05 3
++2.49740399E-08-4.46438553E-12+2.68411141E+03+4.12432368E+01 4
+HCOCJXO H 1O 2C 2 G 300.00 5000.00 1413.00 1
++9.56248658E+00+2.73668655E-03-1.00178635E-06+1.62732634E-10-9.74372616E-15 2
+-3.22485394E+03-2.52197723E+01+3.00486696E-01+2.77038168E-02-2.66618100E-05 3
++1.20343295E-08-2.08589886E-12-4.23731341E+02+2.32044967E+01 4
+CYC5H5OJ C 5H 5O 1 G 300.00 5000.00 1395.00 1
++1.49127777E+01+1.36359024E-02-4.70831344E-06+7.36265120E-10-4.29509412E-14 2
++1.43674328E+04-5.69669820E+01-4.18680099E+00+6.25530448E-02-5.31527440E-05 3
++2.26755263E-08-3.85181289E-12+2.05050843E+04+4.39771791E+01 4
+CYC5H5OH C 5O 1H 6 G 300.00 5000.00 1398.00 1
++1.53433477E+01+1.50754059E-02-5.13553582E-06+7.95807816E-10-4.61311517E-14 2
+-1.19645453E+04-5.85204430E+01-4.26822012E+00+6.62446749E-02-5.68494038E-05 3
++2.46858526E-08-4.26820696E-12-5.75581338E+03+4.47962850E+01 4
+CYC5H4OH C 5H 5O 1 G 300.00 5000.00 1409.00 1
++1.64571358E+01+1.14589263E-02-3.86643522E-06+5.95873719E-10-3.44277590E-14 2
++9.37609019E+02-6.38874692E+01-5.73477597E+00+7.32209786E-02-6.98649600E-05 3
++3.24462652E-08-5.84437946E-12+7.50649045E+03+5.15348696E+01 4
+CPDJONE C 5H 3O 1 G 300.00 5000.00 1394.00 1
++1.37920307E+01+9.94676171E-03-3.53224669E-06+5.62416803E-10-3.32119217E-14 2
++2.82749422E+04-5.06039865E+01-2.97900157E+00+5.40428052E-02-4.87013197E-05 3
++2.18001279E-08-3.86113970E-12+3.35757242E+04+3.76713392E+01 4
+CXCCXCXO C 4H 4O 1 G 300.00 5000.00 1401.00 1
++1.32918890E+01+9.42783712E-03-3.23329764E-06+5.02853718E-10-2.92089737E-14 2
+-4.65486164E+03-4.48053204E+01-1.74329010E-01+4.99882693E-02-5.08353583E-05 3
++2.57383902E-08-5.04416081E-12-8.53247629E+02+2.43466973E+01 4
+CJXCCXCXO C 4H 3O 1 G 300.00 5000.00 1401.00 1
++1.37273605E+01+6.55159611E-03-2.25016948E-06+3.50319189E-10-2.03642753E-14 2
++2.53422200E+04-4.50044906E+01+1.46891560E+00+4.57117267E-02-5.03333351E-05 3
++2.66604935E-08-5.36154380E-12+2.85841219E+04+1.71604226E+01 4
+CXCCCJXO H 5C 4O 1 G 300.00 5000.00 1389.00 1
++1.18646590E+01+1.28852832E-02-4.45460888E-06+6.96613045E-10-4.06215490E-14 2
++3.86344452E+03-3.32989999E+01+9.34300027E-01+3.77751824E-02-2.61384581E-05 3
++9.34041036E-09-1.37598294E-12+7.74223639E+03+2.56636231E+01 4
+CXCCCO2J H 5C 4O 2 G 300.00 5000.00 1394.00 1
++1.31014888E+01+1.43653801E-02-4.96097546E-06+7.75190740E-10-4.51773635E-14 2
+-2.14556874E+04-4.32632704E+01-9.25534522E-01+5.02116403E-02-4.11514066E-05 3
++1.77825411E-08-3.14006631E-12-1.68498468E+04+3.10498181E+01 4
+OXCCXCCXO C 4O 2H 4 G 300.00 5000.00 1385.00 1
++1.46191433E+01+1.09193238E-02-3.86206176E-06+6.13272282E-10-3.61465924E-14 2
+-2.90816690E+04-5.08276975E+01+1.17740159E+00+4.23067551E-02-3.18408983E-05 3
++1.19690116E-08-1.81063004E-12-2.44288948E+04+2.13417216E+01 4
+OXCCXCCJCXO C 5O 2H 5 G 300.00 5000.00 1387.00 1
++1.79529662E+01+1.28543987E-02-4.55161528E-06+7.23280909E-10-4.26505626E-14 2
+-1.67778521E+04-6.37516991E+01+7.35946673E-01+5.61552852E-02-4.72529312E-05 3
++2.02637362E-08-3.51021540E-12-1.10881475E+04+2.76556378E+01 4
+CXOCXCCJ H 5C 4O 1 G 300.00 5000.00 1386.00 1
++1.35956195E+01+1.16987504E-02-4.10942758E-06+6.49516590E-10-3.81570959E-14 2
+-3.53249337E+03-4.49691187E+01+1.01071252E+00+4.22707983E-02-3.32803885E-05 3
++1.36479906E-08-2.30337936E-12+7.60368602E+02+2.22717669E+01 4
+C4H4 C 4H 4 G 300.00 5000.00 1394.00 1
++1.13259548E+01+8.69029526E-03-3.01310685E-06+4.72292345E-10-2.75912745E-14 2
++2.92384960E+04-3.62133803E+01+6.44973158E-02+3.74334710E-02-3.15026118E-05 3
++1.34374217E-08-2.29593307E-12+3.28828571E+04+2.33661962E+01 4
+NC4H5 H 5C 4 G 300.00 5000.00 1404.00 1
++1.15652616E+01+1.06404457E-02-3.59727110E-06+5.54155444E-10-3.19775833E-14 2
++3.71172540E+04-3.68561710E+01-4.44602469E-01+4.37466778E-02-3.92100238E-05 3
++1.80553180E-08-3.30215917E-12+4.07702054E+04+2.58307446E+01 4
+C6H5CH2OOJ O 2H 7C 7 G 300.00 5000.00 1389.00 1
++2.18946260E+01+2.02701494E-02-7.14525361E-06+1.13208570E-09-6.66220534E-14 2
++3.93272947E+03-8.95685129E+01-3.77863659E+00+8.29484718E-02-6.64288143E-05 3
++2.69504875E-08-4.41844689E-12+1.25603231E+04+4.73269747E+01 4
+C6H5CH2OOH H 8O 2C 7 G 300.00 5000.00 1390.00 1
++2.21951256E+01+2.19901041E-02-7.70452728E-06+1.21574282E-09-7.13427270E-14 2
+-1.43966742E+04-9.07483698E+01-3.39515159E+00+8.45306884E-02-6.70634097E-05 3
++2.72113250E-08-4.48289693E-12-5.78730853E+03+4.57078979E+01 4
+C6H5CH2OJ O 1H 7C 7 G 300.00 5000.00 1392.00 1
++1.78843033E+01+2.09011735E-02-7.21832713E-06+1.12839851E-09-6.57955260E-14 2
++4.93182818E+03-7.01304667E+01-4.77736690E+00+7.51049308E-02-5.68532831E-05 3
++2.18290029E-08-3.38134298E-12+1.26234438E+04+5.10429366E+01 4
+C6H5CH2OH H 8O 1C 7 G 300.00 5000.00 1393.00 1
++1.83336336E+01+2.24113846E-02-7.68817710E-06+1.19642445E-09-6.95416019E-14 2
+-2.13970553E+04-7.22444987E+01-4.04500885E+00+7.57965615E-02-5.64777639E-05 3
++2.15225418E-08-3.32436586E-12-1.37783634E+04+4.74803479E+01 4
+C6H5CHOH O 1H 7C 7 G 300.00 5000.00 1000.00 1
++1.10916900E+01+2.91489900E-02-9.94121800E-06+1.59095300E-09-9.83267800E-14 2
+-1.09936500E+03-3.08502700E+01-4.21250300E+00+6.96509300E-02-4.45851100E-05 3
++1.06346900E-08+3.04416100E-13+3.16033900E+03+4.85720900E+01 4
+C6H5CHO O 1C 7H 6 G 300.00 5000.00 1382.00 1
++1.75038056E+01+1.87911370E-02-6.51897523E-06+1.02244104E-09-5.97629759E-14 2
+-1.31835944E+04-6.88975598E+01-2.70517666E+00+6.46821582E-02-4.57286415E-05 3
++1.60322213E-08-2.23734122E-12-6.07344750E+03+4.00414090E+01 4
+HOC6H4CH2OOH H 8O 3C 7 G 300.00 5000.00 1000.00 1
++7.88027100E+00+4.67628100E-02-1.89452100E-05+3.41966600E-09-2.29759600E-13 2
+-2.97336900E+04-5.31768000E+00-3.36266000E+00+8.95720000E-02-6.41731800E-05 3
++1.48659200E-08+1.92278400E-12-2.81114400E+04+4.77969600E+01 4
+HOC6H4CHO O 2C 7H 6 G 300.00 5000.00 1000.00 1
++2.62334800E+01+1.24670600E-02-3.89098200E-06+5.83986400E-10-3.44906100E-14 2
+-3.76834700E+04-1.14001200E+02-2.39067100E+00+7.42054400E-02-4.47424600E-05 3
++6.98287300E-09+1.29444200E-12-2.81768500E+04+3.99495800E+01 4
+HOC6H4CO H 5O 2C 7 G 300.00 5000.00 1000.00 1
++2.58607900E+01+9.51442600E-03-2.34844500E-06+2.96051100E-10-1.54419000E-14 2
+-2.00400600E+04-1.12016700E+02-1.36522300E+00+6.25370000E-02-2.72812200E-05 3
+-4.86179000E-09+4.27317200E-12-1.05826700E+04+3.61448500E+01 4
+C6H4OH H 5C 6O 1 G 300.00 5000.00 1000.00 1
++1.37678200E+01+1.63887900E-02-4.90987000E-06+7.15302000E-10-4.13697500E-14 2
++1.19603000E+04-4.68720800E+01-1.95633600E+00+5.68489700E-02-3.56009400E-05 3
++4.00054100E-09+2.61905800E-12+1.63313300E+04+3.48717300E+01 4
+C6H5O2 H 5C 6O 2 G 300.00 5000.00 1403.00 1
++1.82202607E+01+1.59152200E-02-5.48905745E-06+8.57266857E-10-4.99524398E-14 2
++9.64321495E+03-7.27017378E+01-4.10418376E+00+7.56653434E-02-6.75616707E-05 3
++3.03037283E-08-5.37747223E-12+1.65682233E+04+4.43854600E+01 4
+C6H6 C 6H 6 G 300.00 5000.00 1390.00 1
++1.38672847E+01+1.74152368E-02-6.08383755E-06+9.58140923E-10-5.61503296E-14 2
++2.59989001E+03-5.68524653E+01-5.18689051E+00+6.30511006E-02-4.82874623E-05 3
++1.89015490E-08-3.01017276E-12+9.09950343E+03+4.50744831E+01 4
+CY13PD5J C 5H 5 G 300.00 5000.00 1403.00 1
++1.35569720E+01+1.22914133E-02-4.25209533E-06+6.65536380E-10-3.88428452E-14 2
++2.21734660E+04-5.31109915E+01-5.44117341E+00+6.32470657E-02-5.71657025E-05 3
++2.57052547E-08-4.55247216E-12+2.80395761E+04+4.64652136E+01 4
+C6H5OJ H 5C 6O 1 G 300.00 5000.00 1401.00 1
++1.59513173E+01+1.52837431E-02-5.26838909E-06+8.22485253E-10-4.79122756E-14 2
+-1.56782534E+03-6.22003421E+01-4.56101748E+00+6.98936182E-02-6.18066353E-05 3
++2.76045454E-08-4.89409696E-12+4.83671356E+03+4.55069524E+01 4
+FULVENE C 6H 6 G 300.00 3000.00 1000.00 1
++5.50993880E+00+3.38799360E-02-1.77370710E-05+4.47692840E-09-4.41273720E-13 2
++2.49218710E+04-6.77574890E+00-5.60963070E+00+7.30647570E-02-7.03269230E-05 3
++3.65804490E-08-8.02019310E-12+2.74688850E+04+4.83391780E+01 4
+CYC5H8 C 5H 8 G 300.00 5000.00 1398.00 1
++1.27525879E+01+2.01602949E-02-6.86564327E-06+1.06303695E-09-6.15663048E-14 2
+-3.09810152E+03-4.85501459E+01-5.44615258E+00+6.33154620E-02-4.59351514E-05 3
++1.71229729E-08-2.58907474E-12+3.11839629E+03+4.88944865E+01 4
+CH2CY24PD C 6H 7 G 300.00 5000.00 1402.00 1
++1.55519752E+01+1.77085606E-02-6.09452317E-06+9.50211121E-10-5.52948378E-14 2
++2.85170008E+04-6.03503431E+01-6.08820883E+00+7.61402462E-02-6.77566170E-05 3
++3.07797975E-08-5.56356102E-12+3.52270912E+04+5.30465780E+01 4
+CYC6H7 C 6H 7 G 300.00 5000.00 1397.00 1
++1.45807530E+01+1.90472668E-02-6.57818915E-06+1.02815839E-09-5.99380191E-14 2
++1.73949036E+04-5.69992223E+01-6.01550859E+00+6.95380134E-02-5.43113522E-05 3
++2.16857946E-08-3.50034432E-12+2.42697461E+04+5.27055540E+01 4
+CXCCXCCJ C 5H 7 G 300.00 5000.00 1384.00 1
++1.46398802E+01+1.60860417E-02-5.66411056E-06+8.96640460E-10-5.27310389E-14 2
++1.74224568E+04-5.37942559E+01-1.95534763E+00+5.58644649E-02-4.32573342E-05 3
++1.75877736E-08-2.96850177E-12+2.31644590E+04+3.51104649E+01 4
+LINC6H7 C 6H 7 G 300.00 5000.00 1405.00 1
++1.76225860E+01+1.51976235E-02-5.15602211E-06+7.96188268E-10-4.60220066E-14 2
++4.12781421E+04-6.76880771E+01-1.68717680E+00+6.97442629E-02-6.51384982E-05 3
++3.08028076E-08-5.72894955E-12+4.70145566E+04+3.26256051E+01 4
+CXCCXCC C 5H 8 G 300.00 5000.00 1395.00 1
++1.39047758E+01+1.85254792E-02-6.33885215E-06+9.84235261E-10-5.71027672E-14 2
++2.34402554E+03-4.99031649E+01-1.21646871E+00+5.69593952E-02-4.51457671E-05 3
++1.93100960E-08-3.41706203E-12+7.35790640E+03+3.03267214E+01 4
+CH3CY24PD H 8C 6 G 300.00 5000.00 1399.00 1
++1.58460057E+01+2.00902785E-02-6.93497016E-06+1.08339840E-09-6.31318908E-14 2
++3.42821098E+03-6.44405101E+01-6.05214392E+00+7.63737263E-02-6.34619690E-05 3
++2.72515023E-08-4.72538827E-12+1.05143031E+04+5.13368383E+01 4
+CYC5H7U1 C 5H 7 G 300.00 5000.00 1405.00 1
++1.33514589E+01+1.73652174E-02-5.95660177E-06+9.26668595E-10-5.38430106E-14 2
++1.31128783E+04-4.88977074E+01-6.16539988E+00+6.79149320E-02-5.67945533E-05 3
++2.43460812E-08-4.18641918E-12+1.93507391E+04+5.40864245E+01 4
+CXCCJCXC C 5H 7 G 300.00 5000.00 1390.00 1
++1.39097710E+01+1.65297050E-02-5.77689959E-06+9.09959248E-10-5.33301641E-14 2
++1.77407637E+04-5.03915802E+01-3.09633318E+00+5.77446981E-02-4.48246625E-05 3
++1.81069620E-08-3.00618556E-12+2.35345666E+04+4.04767446E+01 4
+OXCJCXCCXC C 5H 5O 1 G 300.00 5000.00 1396.00 1
++1.57951346E+01+1.22287902E-02-4.25808029E-06+6.69079450E-10-3.91463632E-14 2
++8.39905638E+03-5.70349813E+01-1.49985884E+00+6.17452976E-02-6.00826860E-05 3
++2.94552442E-08-5.66128550E-12+1.35479925E+04+3.27086508E+01 4
+CJXCCXO H 3O 1C 3 G 300.00 5000.00 1402.00 1
++1.07482537E+01+6.19822688E-03-2.06130981E-06+3.14418872E-10-1.80309517E-14 2
++1.51410162E+04-3.01266033E+01+1.46654466E+00+3.23390476E-02-3.05588208E-05 3
++1.44081861E-08-2.65600505E-12+1.78850058E+04+1.80850321E+01 4
+HCOHCO H 2O 2C 2 G 300.00 5000.00 1386.00 1
++9.75438561E+00+4.97645947E-03-1.74410483E-06+2.75586994E-10-1.61969892E-14 2
+-2.95832896E+04-2.61878329E+01+1.88105120E+00+2.36386368E-02-1.83443295E-05 3
++6.84842963E-09-9.92733674E-13-2.69280190E+04+1.59154793E+01 4
+CPDOOH C 5O 2H 6 G 300.00 5000.00 1397.00 1
++1.90879305E+01+1.47694351E-02-5.19152626E-06+8.21019611E-10-4.82550028E-14 2
+-5.53511312E+03-7.56064355E+01-4.18453798E+00+7.77836558E-02-7.18699521E-05 3
++3.31691427E-08-6.04024361E-12+1.65907623E+03+4.62765275E+01 4
+OXCCXCCXCJ C 5H 5O 1 G 300.00 5000.00 1399.00 1
++1.63539852E+01+1.15730003E-02-3.99065616E-06+6.22954543E-10-3.62805238E-14 2
++1.94320029E+04-5.92079822E+01-8.98792284E-02+6.02166232E-02-6.03090093E-05 3
++3.02148406E-08-5.88608835E-12+2.41674700E+04+2.55574705E+01 4
+CXOCCCJCXO C 5O 2H 7 G 300.00 5000.00 1359.00 1
++1.67495698E+01+1.76002589E-02-5.98916805E-06+9.27650094E-10-5.37629506E-14 2
+-2.14460869E+04-5.28247697E+01+5.70045881E+00+3.60712265E-02-1.38686845E-05 3
+-7.62072050E-11+8.31375090E-13-1.68594701E+04+9.14837948E+00 4
+CXOCCCJXO H 5C 4O 2 G 300.00 5000.00 1369.00 1
++1.39398821E+01+1.30768500E-02-4.49050064E-06+6.99619378E-10-4.07081554E-14 2
+-2.21572650E+04-4.08348854E+01+5.26873651E+00+2.96232020E-02-1.54390995E-05 3
++3.50877521E-09-2.31149542E-13-1.87116524E+04+7.15918873E+00 4
+CXOCCCXO C 4O 2H 6 G 300.00 5000.00 1371.00 1
++1.44406255E+01+1.50487556E-02-5.13967301E-06+7.97895590E-10-4.63122524E-14 2
+-4.11449658E+04-4.58917536E+01+4.48171350E+00+3.44515192E-02-1.84600554E-05 3
++4.48418420E-09-3.58800501E-13-3.72374921E+04+9.07149396E+00 4
+C14H14 C 14H 14 G 300.00 3000.00 1000.00 1
++1.83724860E+01+6.06470630E-02-2.15506390E-05+2.54284330E-09+0.00000000E+00 2
++5.18516080E+03-6.59251180E+01-8.14781700E+00+1.30620600E-01-8.19367560E-05 3
++1.94757260E-08+0.00000000E+00+1.26141800E+04+7.18458700E+01 4
+C14H13 H 13C 14 G 300.00 5000.00 1000.00 1
++2.99291000E+01+3.83042200E-02-1.18663300E-05+1.77305900E-09-1.04476700E-13 2
++1.97099600E+04-1.31713300E+02-7.66215500E+00+1.33505200E-01-9.73103200E-05 3
++3.42829900E-08-4.78937100E-12+3.09915700E+04+6.58134800E+01 4
+STYLBEN C 14H 12 G 300.00 3000.00 1000.00 1
++2.68497500E+01+4.28429300E-02-1.50785000E-05+2.46643600E-09-1.54717900E-13 2
++1.64217700E+04-1.17418300E+02-7.92701200E+00+1.32075300E-01-8.81173300E-05 3
++1.90952300E-08+1.76879600E-12+2.63867200E+04+6.40743300E+01 4
+XYLENE C 8H 10 G 300.00 5000.00 1000.00 1
++1.66478700E+01+2.90357700E-02-9.78133800E-06+1.55180600E-09-9.53331200E-14 2
+-6.29562100E+03-6.50455900E+01-3.34551000E+00+7.43882600E-02-4.17868200E-05 3
++7.01958400E-09+1.06597900E-12+9.08072600E+01+4.16011600E+01 4
+IND H 8C 9 G 300.00 5000.00 1398.00 1
++2.05650080E+01+2.40327712E-02-8.27638045E-06+1.29145387E-09-7.52114721E-14 2
++9.12366072E+03-8.95735971E+01-7.28231243E+00+9.11988088E-02-6.98829415E-05 3
++2.68064158E-08-4.09653374E-12+1.84576190E+04+5.90250983E+01 4
+NAPH C 10H 8 G 300.00 5000.00 1400.00 1
++2.35897511E+01+2.43823788E-02-8.47570474E-06+1.33051182E-09-7.77992813E-14 2
++6.53423379E+03-1.12133982E+02-8.84119851E+00+1.09328196E-01-9.50844165E-05 3
++4.18320252E-08-7.33414017E-12+1.68163789E+04+5.86791942E+01 4
+CXOCCXO H 4O 2C 3 G 300.00 5000.00 1380.00 1
++1.13146955E+01+1.09826045E-02-3.83865503E-06+6.04745993E-10-3.54478774E-14 2
+-3.68456705E+04-3.10905302E+01+1.79852184E+00+3.04274142E-02-1.78928318E-05 3
++4.68680660E-09-3.88605902E-13-3.32645409E+04+2.10026410E+01 4
+CPDCXC H 8C 7 G 300.00 5000.00 1402.00 1
++1.78678776E+01+2.08230902E-02-7.16659653E-06+1.11739206E-09-6.50251109E-14 2
++1.53285313E+04-7.26513565E+01-6.71194396E+00+8.59702829E-02-7.45644868E-05 3
++3.31169868E-08-5.87901139E-12+2.30640302E+04+5.65691171E+01 4
+DHCO2J H 1O 4C 2 G 300.00 5000.00 1532.00 1
++1.47334267E+01+3.34959530E-03-1.42099386E-06+2.53086489E-10-1.61179731E-14 2
+-3.72813816E+04-4.36581652E+01+8.80178445E+00+4.94190735E-03+1.15926744E-05 3
+-1.20950072E-08+3.13319590E-12-3.39707062E+04-7.40191130E+00 4
+FULVENYL H 5C 6 G 300.00 5000.00 1400.00 1
++1.49733861E+01+1.31279548E-02-4.43931566E-06+6.85048173E-10-3.96115173E-14 2
++5.04662708E+04-5.79946013E+01-3.37529649E+00+5.92300122E-02-4.85540402E-05 3
++1.97350757E-08-3.16400675E-12+5.63897813E+04+3.91932238E+01 4
+C6H5 H 5C 6 G 200.00 6000.00 1000.00 1
++1.08444762E+01+1.73212473E-02-6.29233249E-06+1.02369961E-09-6.16216828E-14 2
++3.55598475E+04-3.53735134E+01+2.10306633E-01+2.04745507E-02+5.89743006E-05 3
+-1.01534255E-07+4.47105660E-11+3.95468722E+04+2.52910455E+01 4
+CPDJCH3 C 6H 7 G 300.00 5000.00 1400.00 1
++1.67719080E+01+1.69553299E-02-5.89878767E-06+9.26452584E-10-5.41901391E-14 2
++1.51931941E+04-6.88571619E+01-6.89848650E+00+8.10196607E-02-7.36595148E-05 3
++3.37792196E-08-6.13407967E-12+2.25152042E+04+5.51218056E+01 4
+C6H4CH3 H 7C 7 G 300.00 5000.00 1000.00 1
++1.35915500E+01+2.24186700E-02-7.13697000E-06+1.08734600E-09-6.49369100E-14 2
++2.88194800E+04-4.80782900E+01-3.53983800E+00+6.11194400E-02-3.16055200E-05 3
++1.04280700E-09+2.86556900E-12+3.41817000E+04+4.30769000E+01 4
+C6H5CJO H 5O 1C 7 G 300.00 5000.00 1382.00 1
++1.77196103E+01+1.59990428E-02-5.54532150E-06+8.69582681E-10-5.08335220E-14 2
++4.57408086E+03-6.82553109E+01-1.93001550E+00+6.18799970E-02-4.60916515E-05 3
++1.70133701E-08-2.49869948E-12+1.13352170E+04+3.71779131E+01 4
+YOC6JDO H 5C 6O 2 G 300.00 5000.00 1402.00 1
++1.81847303E+01+1.59592345E-02-5.50687389E-06+8.60288089E-10-5.01370012E-14 2
+-1.42411225E+04-7.17061777E+01-2.92236719E+00+7.15580542E-02-6.23775751E-05 3
++2.74733056E-08-4.81161079E-12-7.59776622E+03+3.93242583E+01 4
+CXOCJCXO H 3O 2C 3 G 300.00 5000.00 1388.00 1
++1.15553127E+01+8.26541096E-03-2.90883856E-06+4.60361477E-10-2.70704715E-14 2
+-1.53011324E+04-3.02788743E+01+1.73207262E+00+3.21117881E-02-2.54057019E-05 3
++1.02703474E-08-1.68852228E-12-1.19752646E+04+2.21677180E+01 4
+C6H5C2H5 C 8H 10 G 300.00 3000.00 1000.00 1
++3.87897800E+00+5.81005900E-02-3.19638000E-05+8.44899300E-09-8.69482500E-13 2
+-5.02492200E+02+3.82393600E+00-7.26684500E+00+1.00308900E-01-9.65171500E-05 3
++5.56590800E-08-1.45337000E-11+1.98729000E+03+5.85643000E+01 4
+C12H10 C 12H 10 G 300.00 5000.00 1000.00 1
++2.42890170E+01+3.40066480E-02-1.17224080E-05+1.77292980E-09-9.68125320E-14 2
++1.02870000E+04-1.08023740E+02-4.07395270E+00+8.69733100E-02-4.23536130E-06 3
+-6.45644600E-08+3.41501690E-11+1.94059650E+04+4.47413480E+01 4
+PHCCHPH H 11C 14 G 300.00 5000.00 1000.00 1
++2.71759500E+01+3.79553000E-02-1.22651100E-05+1.88881600E-09-1.13649300E-13 2
++4.01034600E+04-1.18216700E+02-7.37688200E+00+1.26701900E-01-8.77666000E-05 3
++2.36557000E-08-5.88418700E-13+5.01033800E+04+6.23330000E+01 4
+O2C6H4CH3 O 2H 7C 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+RODC6J(C)DO O 2H 7C 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+OCCXCCXCJC C 6H 7O 1 G 300.00 5000.00 1000.00 1
++5.04970100E+00+3.87918600E-02-1.53206600E-05+2.71712600E-09-1.80337300E-13 2
++1.97598400E+04+7.77227800E+00+2.96031500E-01+5.58237700E-02-3.63319400E-05 3
++1.32263700E-08-1.97858300E-12+2.07336500E+04+3.10296800E+01 4
+C6H4 H 4C 6 G 300.00 5000.00 1000.00 1
++1.36143500E+01+1.50269800E-02-6.02561500E-06+1.07986200E-09-7.21888300E-14 2
++3.73144700E+04-4.93064800E+01-3.25250900E+00+6.30375700E-02-4.88828900E-05 3
++1.14479600E-08+1.25205300E-12+4.16049100E+04+3.68365700E+01 4
+CJCXCC#C C 5H 5 G 300.00 5000.00 1000.00 1
++1.35987900E+01+1.05204700E-02-2.79274500E-06+3.73080600E-10-2.03463900E-14 2
++4.08026600E+04-4.50055700E+01+2.01665900E-01+4.72146500E-02-4.01166500E-05 3
++1.75865500E-08-3.20822000E-12+4.46282100E+04+2.45654100E+01 4
+CXCCXCCOH C 5H 8O 1 G 300.00 5000.00 1000.00 1
+-1.37624700E+01+6.83528400E-02-3.14797100E-05+6.22249600E-09-4.46343600E-13 2
+-3.55277700E+03+1.09914200E+02-2.72651700E+00+6.99972500E-02-5.72736000E-05 3
++1.82124700E-08+4.94372800E-13-9.99861400E+03+4.07012000E+01 4
+OC6H4CH2 O 1C 7H 6 G 300.00 5000.00 1000.00 1
++1.24204756E+01+2.70171830E-02-1.09476851E-05+2.02705529E-09-1.40757462E-13 2
++4.49159466E+02-4.10236260E+01-6.21979546E-01+5.14918065E-02-6.11682462E-06 3
+-2.88887155E-08+1.45119845E-11+4.44241036E+03+2.88224802E+01 4
+CR1 H 14C 11 G 300.00 5000.00 1000.00 1
++2.42794900E+01+3.92779300E-02-1.30558300E-05+2.05291800E-09-1.25404600E-13 2
+-2.23530900E+03-1.00739800E+02-5.00426800E+00+1.10945100E-01-6.88875700E-05 3
++1.39681200E-08+1.38654600E-12+6.54423100E+03+5.34441100E+01 4
+CR2 H 13C 11 G 300.00 5000.00 1000.00 1
++2.50582400E+01+3.43152500E-02-1.04203000E-05+1.53664900E-09-8.98238000E-14 2
++1.45021900E+04-1.03376100E+02-4.58397600E+00+1.10883200E-01-8.08779400E-05 3
++2.91848700E-08-4.21307100E-12+2.32589100E+04+5.18607300E+01 4
+CR3 C 9H 10 G 300.00 5000.00 1000.00 1
++1.86800800E+01+3.01691200E-02-1.02430100E-05+1.63316800E-09-1.00631100E-13 2
++4.57739500E+03-7.38252400E+01-2.35837400E+00+7.99619000E-02-4.83615900E-05 3
++1.05594800E-08+3.19990800E-13+1.11099500E+04+3.76891900E+01 4
+CR4 C 9H 10 G 300.00 5000.00 1000.00 1
++1.71276600E+01+3.23971000E-02-1.12437200E-05+1.82098200E-09-1.13438000E-13 2
++7.91369300E+03-6.51888000E+01-4.55772400E+00+8.47433400E-02-5.13041200E-05 3
++9.99644600E-09+1.08846500E-12+1.44951800E+04+4.92668600E+01 4
+CR5 C 10H 12 G 300.00 5000.00 1000.00 1
++1.97434500E+01+3.73130400E-02-1.28029100E-05+2.05554600E-09-1.27209100E-13 2
++2.59364500E+03-7.78589000E+01-5.52268800E+00+1.00548100E-01-6.39515100E-05 3
++1.44123100E-08+6.71828400E-13+1.00428100E+04+5.46940100E+01 4
+C10H10 C 10H 10 G 300.00 5000.00 1000.00 1
++2.24585300E+01+2.98982400E-02-1.02424500E-05+1.64272900E-09-1.01594100E-13 2
++4.61718000E+03-1.10181900E+02-3.37959900E+00+9.27962500E-02-5.91911200E-05 3
++1.23730300E-08+1.03626400E-12+1.24123800E+04+2.60167000E+01 4
+C10H9 C 10H 9 G 300.00 5000.00 1000.00 1
++2.42293900E+01+2.37029600E-02-7.09346000E-06+1.03581400E-09-6.01751500E-14 2
++1.95099300E+04-1.18237400E+02-2.42912400E+00+8.79982900E-02-5.68390900E-05 3
++1.22281800E-08+8.47450100E-13+2.76230400E+04+2.25328200E+01 4
+C14H13OO H 13C 14O 2 G 300.00 5000.00 1393.00 1
++3.82107651E+01+3.84977641E-02-1.34898012E-05+2.12875101E-09-1.24923370E-13 2
++3.86242489E+03-1.75065173E+02-9.38658087E+00+1.59326499E-01-1.33478336E-04 3
++5.72138908E-08-9.89376100E-12+1.94401630E+04+7.71668433E+01 4
+C6H5C2H2 C 8H 7 G 300.00 5000.00 1000.00 1
++1.44702300E+01+2.41055500E-02-7.70060600E-06+1.17761700E-09-7.05898500E-14 2
++3.45238100E+04-5.20912600E+01-1.81130500E+00+6.04266700E-02-2.73604300E-05 3
+-4.10051300E-09+4.82873100E-12+3.95377400E+04+3.44209800E+01 4
+PHENA C 14H 10 G 200.00 6000.00 1000.00 1
++2.55171870E+01+3.93727940E-02-1.23155080E-05+1.27852800E-09+0.00000000E+00 2
++1.31224040E+04-1.15618420E+02-9.09474100E+00+1.31333800E-01-9.24017290E-05 3
++2.40156710E-08+0.00000000E+00+2.27649500E+04+6.39753600E+01 4
+C6H5C2H4P C 8H 9 G 300.00 5000.00 1396.00 1
++1.98006146E+01+2.35734350E-02-8.05910269E-06+1.25128895E-09-7.26159594E-14 2
++1.81887791E+04-8.09253099E+01-4.93727507E+00+8.45456396E-02-6.60178082E-05 3
++2.64632371E-08-4.29041682E-12+2.64052796E+04+5.07102875E+01 4
+C6H5C2H4S C 8H 9 G 300.00 5000.00 1396.00 1
++1.98317067E+01+2.40092964E-02-8.21876729E-06+1.27726062E-09-7.41731462E-14 2
++1.12688528E+04-8.51819715E+01-6.01558728E+00+8.73954364E-02-6.79894752E-05 3
++2.70035345E-08-4.32578144E-12+1.98726473E+04+5.24486881E+01 4
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! AA THERMO !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+C6H5CH2CH2OO C 8O 2H 9 G 300.00 5000.00 1392.00 1
++2.32195676E+01+2.60543894E-02-9.06848696E-06+1.42450939E-09-8.33254784E-14 2
+-9.30560896E+02-9.41996431E+01-2.97717571E+00+9.09238597E-02-7.22332479E-05 3
++3.00778320E-08-5.14215828E-12+7.87040761E+03+4.53100220E+01 4
+C6H5CHOOCH3 C 8O 2H 9 G 300.00 5000.00 1391.00 1
++2.39389417E+01+2.55802179E-02-8.93645471E-06+1.40728440E-09-8.24626131E-14 2
+-2.90483393E+03-9.84083931E+01-4.15080808E+00+9.63086315E-02-7.90361848E-05 3
++3.37293640E-08-5.86581277E-12+6.40361986E+03+5.07485305E+01 4
+C3H2(S) H 2C 3 G 300.00 4000.00 1400.00 1
++8.35131100E+00+2.67227700E-03-2.12940400E-07-1.47821810E-10+2.58368900E-14 2
++6.80069000E+04-1.95088400E+01+4.74947500E+00+8.52022900E-03-1.16026750E-06 3
+-2.49495400E-09+9.92100400E-13+6.93997900E+04+5.43779200E-01 4
+O-C6H4 H 4C 6 G 300.00 3000.00 1000.00 1
++2.98618725E+00+3.37637843E-02-2.00238391E-05+5.63853682E-09-6.10004145E-13 2
++5.12231321E+04+7.44533121E+00-3.46229657E+00+5.74016575E-02-4.92984369E-05 3
++1.90680483E-08-1.95430709E-12+5.25223614E+04+3.88488771E+01 4
+C14H12OOH H 13C 14O 2 G 300.00 5000.00 1394.00 1
++4.02968908E+01+3.71210431E-02-1.30088643E-05+2.05309245E-09-1.20495552E-13 2
++3.67900543E+03-1.86479334E+02-8.32529422E+00+1.61762848E-01-1.37724101E-04 3
++5.95672829E-08-1.03363053E-11+1.94259748E+04+7.06782085E+01 4
+C14H13O H 13C 14O 1 G 300.00 5000.00 1397.00 1
++3.62205336E+01+3.75634484E-02-1.29678295E-05+2.02688785E-09-1.18180078E-13 2
++5.74597621E+03-1.65590808E+02-1.19190739E+01+1.59861239E-01-1.33105430E-04 3
++5.60228564E-08-9.42896323E-12+2.13328544E+04+8.92151705E+01 4
+C14H13OOH C 14H 14O 2 G 300.00 5000.00 1395.00 1
++4.01427062E+01+3.93395367E-02-1.37664348E-05+2.17056135E-09-1.27304368E-13 2
+-1.39277882E+04-1.84904308E+02-1.04261530E+01+1.68709899E-01-1.42892982E-04 3
++6.15601039E-08-1.06485940E-11+2.47291567E+03+8.26365480E+01 4
+C14H12O2H-1O2 H 13C 14O 4 G 300.00 5000.00 1391.00 1
++4.48785960E+01+3.75685709E-02-1.32824040E-05+2.10858085E-09-1.24255944E-13 2
+-9.97231472E+03-2.04041648E+02-9.40646930E+00+1.77878119E-01-1.55260847E-04 3
++6.84418245E-08-1.20655066E-11+7.52457116E+03+8.27128410E+01 4
+C14H11O-1O2H C 14H 12O 3 G 300.00 5000.00 1393.00 1
++4.03057402E+01+3.72594407E-02-1.30902950E-05+2.06942373E-09-1.21596482E-13 2
+-2.78034193E+04-1.82398868E+02-7.77794671E+00+1.57347464E-01-1.29564931E-04 3
++5.40605490E-08-9.07699935E-12-1.19364337E+04+7.29984559E+01 4
+C6H5CCH2 C 8H 7 G 300.00 5000.00 1387.00 1
++1.92154972E+01+2.02185937E-02-7.07970746E-06+1.11666465E-09-6.55073301E-14 2
++2.44567929E+04-8.09621525E+01-1.75677703E+00+6.93776528E-02-5.15140526E-05 3
++1.96075933E-08-3.05640961E-12+3.17432364E+04+3.16482133E+01 4
+NAPH- C 10H 7 G 300.00 3000.00 1000.00 1
++3.22892303E+00+6.31264486E-02-3.80582381E-05+1.08454069E-08-1.18342512E-12 2
++4.78400840E+04+5.82016697E+00-8.02718034E+00+1.02924518E-01-8.34272010E-05 3
++2.72135383E-08-7.24559554E-13+5.01363344E+04+6.08902264E+01 4
+NAPH* C 10H 7 G 300.00 3000.00 1000.00 1
++3.29950506E+00+6.30133365E-02-3.79760083E-05+1.08180756E-08-1.18007697E-12 2
++4.76658373E+04+5.41215697E+00-8.00768796E+00+1.03041289E-01-8.38190998E-05 3
++2.76491726E-08-8.88842208E-13+4.99740633E+04+6.07298980E+01 4
+NAPHO C 10H 7O 1 G 200.00 6000.00 1000.00 1
++2.10591364E+01+2.82563070E-02-1.03328686E-05+1.68867034E-09-1.01974767E-13 2
++4.09143507E+03-8.84963398E+01-1.15176448E+00+6.11354512E-02+3.20151083E-05 3
+-9.94285290E-08+4.79990043E-11+1.14058756E+04+3.25584836E+01 4
+C9H7 C 9H 7 G 300.00 3000.00 1000.00 1
++3.65597547E+00+5.74808463E-02-3.42870600E-05+9.70278793E-09-1.05386412E-12 2
++3.06843457E+04+2.57680216E+00-8.73685384E+00+1.03421636E-01-9.23423393E-05 3
++3.75622958E-08-4.40605270E-12+3.31641009E+04+6.28218291E+01 4
+C9H6O C 9O 1H 6 G 300.00 3000.00 1000.00 1
++4.65659248E+00+5.70055822E-02-3.43174199E-05+9.76177442E-09-1.06334037E-12 2
++4.57857140E+03-7.03868477E-01-6.53928778E+00+9.69323286E-02-8.17698656E-05 3
++2.96699474E-08-2.24993392E-12+6.88883578E+03+5.40945996E+01 4
+BIN1A H 16C 20 G 300.00 5000.00 1000.00 1
++2.28710599E+01+7.94839410E-02-4.21619700E-05+1.06691760E-08-1.04891690E-12 2
++5.55088663E+04-1.00165423E+02-1.43921700E+01+2.05071170E-01-2.01668750E-04 3
++1.00637160E-07-1.98341200E-11+6.44124530E+04+8.61129840E+01 4
+FLUORENE H 10C 13 G 300.00 5000.00 1000.00 1
++2.31612871E+01+3.92128530E-02-1.25431510E-05+1.33503890E-09+0.00000000E+00 2
++1.23102892E+04-1.03717257E+02-1.12092800E+01+1.29847800E-01-9.07013380E-05 3
++2.32288460E-08+0.00000000E+00+2.19426600E+04+7.48524200E+01 4
+C14H10 C 14H 10 G 300.00 5000.00 1387.00 1
++3.35905687E+01+3.03999884E-02-1.05869652E-05+1.66527782E-09-9.75498585E-14 2
++3.04676726E+04-1.56193464E+02-8.67061479E+00+1.30751909E-01-1.00532524E-04 3
++3.78085301E-08-5.59154283E-12+4.47563353E+04+6.98275686E+01 4
+C16H10 C 16H 10 G 300.00 5000.00 1000.00 1
++2.90747022E+01+4.12337670E-02-1.26077060E-05+1.27453580E-09+0.00000000E+00 2
++1.41687238E+04-1.36431347E+02-1.06811200E+01+1.46535400E-01-1.03943520E-04 3
++2.70645390E-08+0.00000000E+00+2.52715000E+04+6.99617500E+01 4
+C6H4C2H3 C 8H 7 G 300.00 5000.00 1394.00 1
++1.74540862E+01+2.22040686E-02-9.33350484E-06+1.73528698E-09-1.13685613E-13 2
++3.87604904E+04-6.90454166E+01-5.18004315E+00+8.45709724E-02-7.57339260E-05 3
++3.38554022E-08-6.01465106E-12+4.55621698E+04+4.89682087E+01 4
+C6H5CHCO C 8O 1H 6 G 300.00 5000.00 1401.00 1
++2.12378901E+01+1.81721744E-02-6.29966472E-06+9.87075175E-10-5.76415017E-14 2
+-4.24755749E+03-8.76618956E+01-3.11626056E+00+8.34844687E-02-7.46479994E-05 3
++3.37702186E-08-6.06499260E-12+3.33501290E+03+4.00930802E+01 4
+C6H5C4H9 C 10H 14 G 300.00 5000.00 1395.00 1
++2.67352334E+01+3.43477266E-02-1.17087252E-05+1.81434544E-09-1.05143951E-13 2
+-1.51216286E+04-1.18171023E+02-6.22856223E+00+1.13691752E-01-8.50361112E-05 3
++3.27496505E-08-5.12339478E-12-3.97172741E+03+5.79294597E+01 4
+C6H5C4H7-2 C 10H 12 G 300.00 5000.00 1392.00 1
++2.43902403E+01+3.24004931E-02-1.11925596E-05+1.74946782E-09-1.01985620E-13 2
+-2.45450569E+02-1.04802041E+02-5.93522992E+00+1.04404463E-01-7.72345306E-05 3
++2.96299900E-08-4.66636566E-12+1.01859490E+04+5.76804055E+01 4
+C6H5C4H7-3 C 10H 12 G 300.00 5000.00 1395.00 1
++2.53129170E+01+3.14281387E-02-1.08152689E-05+1.68620292E-09-9.81246226E-14 2
+-1.40337072E+03-1.10601858E+02-5.52864894E+00+1.07276062E-01-8.33212344E-05 3
++3.36538598E-08-5.55115817E-12+8.92646491E+03+5.36875671E+01 4
+C6H5C4H7-1 C 10H 12 G 300.00 5000.00 1396.00 1
++2.56327022E+01+3.06080886E-02-1.04190973E-05+1.61318568E-09-9.34399509E-14 2
++8.18387633E+02-1.11127142E+02-6.54800245E+00+1.10347314E-01-8.66280506E-05 3
++3.49310042E-08-5.69147696E-12+1.14558141E+04+5.99487246E+01 4
+C6H5CH2HCO C 8H 8O 1 G 300.00 5000.00 1392.00 1
++2.07189090E+01+2.34657288E-02-8.16859744E-06+1.28349619E-09-7.50981560E-14 2
+-1.59748937E+04-8.38562538E+01-4.63817169E+00+8.37851572E-02-6.32386011E-05 3
++2.42587771E-08-3.76921290E-12-7.30919223E+03+5.18907332E+01 4
+C6H5CH2CO C 8H 7O 1 G 300.00 5000.00 1000.00 1
++1.77196103E+01+1.59990428E-02-5.54532150E-06+8.69582681E-10-5.08335220E-14 2
++4.57408086E+03-6.82553109E+01-1.93001550E+00+6.18799970E-02-4.60916515E-05 3
++1.70133701E-08-2.49869948E-12+1.13352170E+04+3.71779131E+01 4
+C6H5COC2H4 H 9C 9O 1 G 300.00 5000.00 1391.00 1
++2.37012877E+01+2.55632683E-02-8.88177489E-06+1.39363094E-09-8.14595243E-14 2
++3.05045253E+04-9.69178455E+01-2.75443373E+00+9.08941745E-02-7.20233762E-05 3
++2.97163771E-08-5.01683123E-12+3.93793566E+04+4.39830037E+01 4
+C6H5COC2H3 H 8C 9O 1 G 300.00 5000.00 1000.00 1
++3.83667760E+01-4.95490570E-03+5.86686380E-06-1.52297800E-09+1.26267920E-13 2
+-1.36747500E+04-1.77860170E+02+5.30519190E-01+6.21828470E-02-2.33269730E-05 3
+-2.04770780E-09+7.20814900E-13+3.36182130E+02+3.09888800E+01 4
+C6H5CH2COCH2O2H O 3C 9H 10 G 300.00 5000.00 1385.00 1
++2.92927914E+01+2.82538142E-02-9.95783397E-06+1.57742365E-09-9.28147563E-14 2
+-3.55534508E+04-1.22782783E+02-2.11018715E+00+1.02587540E-01-7.82535349E-05 3
++3.06478103E-08-4.92350746E-12-2.46914802E+04+4.56198818E+01 4
+C6H5COCH2CH2O2 H 9C 9O 3 G 300.00 5000.00 1000.00 1
++1.23650690E+01+4.93552830E-02-1.85772440E-05+3.18550390E-09-2.06492130E-13 2
+-1.34807230E+04-2.66483230E+01-2.00734350E+00+1.04595950E-01-8.20567000E-05 3
++2.68478480E-08-1.29813200E-12-1.12660820E+04+4.15173070E+01 4
+C6H5COCH2CH2O H 9O 2C 9 G 300.00 5000.00 1000.00 1
++1.00041930E+01+4.92104220E-02-1.86429550E-05+3.21017170E-09-2.08638490E-13 2
+-1.26443030E+04-1.73589780E+01-3.33783770E+00+1.00087300E-01-7.71142510E-05 3
++2.52161030E-08-1.32224420E-12-1.05290390E+04+4.61063650E+01 4
+C6H5CH2CHCO H 8C 9O 1 G 300.00 5000.00 1397.00 1
++2.36796575E+01+2.34528152E-02-8.15256937E-06+1.27968269E-09-7.48196974E-14 2
+-7.20385161E+03-9.84534709E+01-4.75020329E+00+9.68735910E-02-8.22094541E-05 3
++3.56873386E-08-6.22330943E-12+1.95145808E+03+5.17190459E+01 4
+C6H5COCH2 C 8H 7O 1 G 300.00 5000.00 1393.00 1
++2.06377587E+01+2.09842204E-02-7.31094395E-06+1.14935927E-09-6.72742545E-14 2
++3.46513492E+04-8.22574610E+01-2.89631990E+00+7.81864943E-02-6.10228928E-05 3
++2.43055421E-08-3.92233529E-12+4.25768671E+04+4.33055092E+01 4
+C6H5CH2COCH2O2 H 9C 9O 3 G 300.00 5000.00 1384.00 1
++2.68320478E+01+2.80831929E-02-9.86628502E-06+1.55954244E-09-9.16223861E-14 2
+-1.62781168E+04-1.07799040E+02-1.12641051E+00+9.36750610E-02-6.99772831E-05 3
++2.72912128E-08-4.42393570E-12-6.48729126E+03+4.24435094E+01 4
+C6H5CH2COCH2 H 9C 9O 1 G 300.00 5000.00 1390.00 1
++2.32712538E+01+2.57435858E-02-8.90507867E-06+1.39337697E-09-8.12922746E-14 2
++8.48119323E+02-9.36335596E+01-3.04453343E+00+8.95593266E-02-6.90116023E-05 3
++2.75411948E-08-4.49576293E-12+9.76432431E+03+4.68894971E+01 4
+C6H5CH2COCH2O H 9O 2C 9 G 300.00 5000.00 1387.00 1
++2.50921142E+01+2.70954097E-02-9.44950492E-06+1.48654354E-09-8.70498915E-14 2
+-1.54617131E+04-1.01953774E+02-2.96135894E+00+9.34865550E-02-7.01733036E-05 3
++2.70891709E-08-4.28268007E-12-5.78380994E+03+4.84453509E+01 4
+C6H5CCO H 5C 8O 1 G 300.00 5000.00 1391.00 1
++2.05717606E+01+1.65626187E-02-5.73631528E-06+8.98556853E-10-5.24719633E-14 2
++1.85523144E+04-7.88307218E+01+2.46903285E+00+5.68111793E-02-3.84432919E-05 3
++1.22781652E-08-1.44841401E-12+2.49411038E+04+1.89465318E+01 4
+C6H5COCH2CH2O2H O 3C 9H 10 G 300.00 5000.00 1000.00 1
++1.00934320E+01+5.66170400E-02-2.27915440E-05+4.09588190E-09-2.74356740E-13 2
+-3.04530310E+04-1.27646410E+01-7.60990380E-01+1.01285230E-01-7.27075530E-05 3
++1.85728910E-08+1.28084810E-12-2.92243300E+04+3.72903940E+01 4
+OH* H 1O 1 G 300.00 5000.00 1000.00 1
++2.88273000E+00+1.01397430E-03-2.27687700E-07+2.17468300E-11-5.12630500E-16 2
++5.02650000E+04+5.59571200E+00+3.63726600E+00+1.85091000E-04-1.67616460E-06 3
++2.38720200E-09-8.43144200E-13+5.00213000E+04+1.35886050E+00 4
+N2 N 2 G 200.00 6000.00 1000.00 1
++2.95257637E+00+1.39690040E-03-4.92631603E-07+7.86010195E-11-4.60755204E-15 2
+-9.23948688E+02+5.87188762E+00+3.53100528E+00-1.23660988E-04-5.02999433E-07 3
++2.43530612E-09-1.40881235E-12-1.04697628E+03+2.96747038E+00 4
+HCOH H 2O 1C 1 G 300.00 5000.00 1398.00 1
++9.18749272E+00+1.52011152E-03-6.27603516E-07+1.09727989E-10-6.89655128E-15 2
++7.81364593E+03-2.73434214E+01-2.82157421E+00+3.57331702E-02-3.80861580E-05 3
++1.86205951E-08-3.45957838E-12+1.12956672E+04+3.48487757E+01 4
+CH* H 1C 1 G 300.00 5000.00 1000.00 1
++2.19622300E+00+2.34038100E-03-7.05820100E-07+9.00758200E-11-3.85504000E-15 2
++1.04195590E+05+9.17837300E+00+3.20020200E+00+2.07287500E-03-5.13443100E-06 3
++5.73389000E-09-1.95553300E-12+1.03937140E+05+3.33158700E+00 4
+C2H3OH H 4O 1C 2 G 300.00 5000.00 1410.00 1
++8.32598158E+00+8.03387281E-03-2.63928405E-06+3.98410726E-10-2.26551155E-14 2
+-1.83221436E+04-2.02080305E+01-1.27972260E-01+3.38506073E-02-3.30644935E-05 3
++1.64858739E-08-3.19935455E-12-1.59914544E+04+2.30438601E+01 4
+C2H2OH H 3O 1C 2 G 300.00 5000.00 1000.00 1
++6.81339897E+00+8.05827723E-03-3.11728612E-06+5.54590896E-10-3.71804255E-14 2
++1.31583034E+04-1.09863525E+01+5.62397968E-01+2.64598620E-02-2.28453705E-05 3
++9.14478695E-09-1.06711936E-12+1.48374643E+04+2.10439544E+01 4
+O2CH2CHO H 3O 3C 2 G 300.00 5000.00 1393.00 1
++1.11807543E+01+9.14479256E-03-3.15089833E-06+4.91944238E-10-2.86639180E-14 2
+-1.55790331E+04-2.87892740E+01-1.29465843E+00+4.44936393E-02-4.26577074E-05 3
++2.07391950E-08-3.96828771E-12-1.18275628E+04+3.60778797E+01 4
+HO2CH2CO H 3O 3C 2 G 300.00 5000.00 1386.00 1
++1.04146322E+01+1.12680116E-02-5.17494839E-06+1.00333285E-09-6.68165911E-14 2
+-1.40955672E+04-2.27894400E+01+2.22681686E+00+3.56781380E-02-3.26401909E-05 3
++1.47651988E-08-2.64794380E-12-1.18735095E+04+1.91581197E+01 4
+CC3H4 H 4C 3 G 300.00 5000.00 1000.00 1
++6.69999310E+00+1.03573720E-02-3.45511670E-06+5.06529490E-10-2.66822760E-14 2
++3.01990510E+04-1.33787700E+01-2.46210470E-02+2.31972150E-02-1.84743570E-06 3
+-1.59275930E-08+8.68461550E-12+3.23341370E+04+2.27297620E+01 4
+H2CC H 2C 2 G 200.00 6000.00 1000.00 1
++4.27803400E+00+4.75628040E-03-1.63010090E-06+2.54628060E-10-1.48863790E-14 2
++4.83166880E+04+6.40237010E-01+3.28154830E+00+6.97647910E-03-2.38552440E-06 3
+-1.21044320E-09+9.81895450E-13+4.86217940E+04+5.92039100E+00 4
+C4H3-I C 4H 3 G 300.00 3000.00 1000.00 1
++9.09781650E+00+9.22071190E-03-3.38784410E-06+4.91604980E-10-1.45297800E-14 2
++5.66005740E+04-1.98025970E+01+2.08304120E+00+4.08342740E-02-6.21596850E-05 3
++5.16793580E-08-1.70291840E-11+5.80051290E+04+1.36174620E+01 4
+C4H6O25 C 4O 1H 6 G 200.00 5000.00 1000.00 1
++8.60658242E+00+2.08310051E-02-8.42229481E-06+1.56717640E-09-1.09391202E-13 2
+-1.76177415E+04-2.32464750E+01+2.67053463E+00+4.92586420E-03+8.86967406E-05 3
+-1.26219194E-07+5.23991321E-11-1.46572472E+04+1.45722395E+01 4
+C2H3CHOCH2 C 4O 1H 6 G 300.00 3000.00 1000.00 1
+-4.72093360E+00+3.91413780E-02-6.52872650E-06-7.68209500E-09+2.51473310E-12 2
++1.75352252E+03+5.17190420E+01+7.97985440E-01+3.44034320E-02-1.24598510E-05 3
+-5.18062790E-18+1.99359540E-21-6.48927540E+02+2.18896980E+01 4
+C4H5-2 H 5C 4 G 300.00 3000.00 1000.00 1
++1.45381710E+01-8.56770560E-03+2.35595240E-05-1.36763790E-08+2.44369270E-12 2
++3.32590950E+04-4.53694970E+01+2.96962800E+00+2.44422450E-02-9.12514240E-06 3
+-4.24668710E-18+1.63047280E-21+3.55033160E+04+1.20360510E+01 4
+C4H6-2 C 4H 6 G 300.00 3000.00 1000.00 1
++9.03381330E+00+8.21245100E-03+7.17539520E-06-5.88343340E-09+1.03439150E-12 2
++1.43350680E+04-2.09857620E+01+2.13733380E+00+2.64862290E-02-9.05687110E-06 3
+-5.53863970E-19+2.12818840E-22+1.57109020E+04+1.35294260E+01 4
+C4H6O23 C 4O 1H 6 G 200.00 5000.00 1000.00 1
++8.60658242E+00+2.08310051E-02-8.42229481E-06+1.56717640E-09-1.09391202E-13 2
+-1.32392815E+04-2.32464750E+01+2.67053463E+00+4.92586420E-03+8.86967406E-05 3
+-1.26219194E-07+5.23991321E-11-1.02787872E+04+1.45722395E+01 4
+C4H4O C 4H 4O 1 G 200.00 6000.00 1000.00 1
++9.38935003E+00+1.40291241E-02-5.07755110E-06+8.24137332E-10-4.95319963E-14 2
+-8.68241814E+03-2.79162920E+01+8.47469463E-01+1.31773796E-02+5.99735901E-05 3
+-9.71562904E-08+4.22733796E-11-5.36785445E+03+2.14945172E+01 4
+H2C4O H 2C 4O 1 G 300.00 4000.00 1000.00 1
++1.02688800E+01+4.89616400E-03-4.88508100E-07-2.70856600E-10+5.10701300E-14 2
++2.34690300E+04-2.81598500E+01+4.81097100E+00+1.31399900E-02+9.86507300E-07 3
+-6.12072000E-09+1.64000300E-12+2.54580300E+04+2.11342400E+00 4
+C6H2 H 2C 6 G 300.00 3000.00 1000.00 1
++1.32262810E+01+7.39043020E-03-2.27153810E-06+2.58752170E-10-5.53567410E-15 2
++8.05652580E+04-4.12011760E+01-1.59326240E+00+8.05301450E-02-1.48006490E-04 3
++1.33000310E-07-4.53323130E-11+8.32732270E+04+2.79808730E+01 4
+C6H3 H 3C 6 G 300.00 3000.00 1000.00 1
++5.81883430E+00+2.79334080E-02-1.78254270E-05+5.37025360E-09-6.17076270E-13 2
++8.51882500E+04-9.21478270E-01+1.17906190E+00+5.55473600E-02-7.30761680E-05 3
++5.20767360E-08-1.50469640E-11+8.56473120E+04+1.91791990E+01 4
+L-C6H4 H 4C 6 G 300.00 3000.00 1000.00 1
++1.27151820E+01+1.38396620E-02-4.37654400E-06+3.15416360E-10+4.66190260E-14 2
++5.70311480E+04-3.94646000E+01+2.95902250E-01+5.80533180E-02-6.77667560E-05 3
++4.33767620E-08-1.14188640E-11+6.00013710E+04+2.23189700E+01 4
+C-C6H4 H 4C 6 G 300.00 3000.00 1000.00 1
++1.38492090E+01+7.88079200E-03+1.82438360E-06-2.11691660E-09+3.74599770E-13 2
++4.74463400E+04-5.04049530E+01-3.09912680E+00+5.40305640E-02-4.08390040E-05 3
++1.07388370E-08+9.80784900E-13+5.22057110E+04+3.74152070E+01 4
+O-C6H4O2 H 4C 6O 2 G 270.00 3000.00 1370.00 1
++1.23614349E+01+2.40491397E-02-1.16529057E-05+2.71332785E-09-2.47593219E-13 2
+-1.67079717E+04-4.00310857E+01-2.36179712E+00+6.86058343E-02-6.39129516E-05 3
++3.06903009E-08-5.97357785E-12-1.26704431E+04+3.53724482E+01 4
+P-C6H3O2 H 3C 6O 2 G 270.00 3000.00 1290.00 1
++1.22963699E+01+2.15055142E-02-1.07516136E-05+2.57528163E-09-2.41023652E-13 2
++1.15428998E+04-3.72584002E+01-1.57852347E+00+6.55376473E-02-6.50308721E-05 3
++3.32026554E-08-6.86665555E-12+1.51750093E+04+3.31518638E+01 4
+C6H5OOH C 6O 2H 6 G 300.00 5000.00 1404.00 1
++1.92317474E+01+1.63154699E-02-5.53448904E-06+8.55059974E-10-4.94583790E-14 2
+-1.01971012E+04-7.61674471E+01-4.03105975E+00+7.96101888E-02-7.21655013E-05 3
++3.27610696E-08-5.85584239E-12-3.10973017E+03+4.54324978E+01 4
+OC6H4OH H 5C 6O 2 G 300.00 5000.00 1403.00 1
++2.22718210E+01+1.21038561E-02-4.18429526E-06+6.54475399E-10-3.81746504E-14 2
+-2.34827539E+04-9.61035467E+01-8.02205657E+00+1.09403210E-01-1.23489276E-04 3
++6.56286805E-08-1.31527870E-11-1.55949156E+04+5.72175202E+01 4
+P-OC6H5OJ H 5C 6O 2 G 300.00 5000.00 1400.00 1
++1.82799770E+01+1.59280974E-02-5.50765220E-06+8.61649836E-10-5.02677539E-14 2
+-6.25907994E+01-7.25809444E+01-3.29683290E+00+7.27365977E-02-6.36158220E-05 3
++2.80683553E-08-4.92279426E-12+6.73402222E+03+4.09349895E+01 4
+C5H6-L C 5H 6 G 300.00 5000.00 1372.00 1
++1.29600892E+01+1.48953758E-02-5.23622902E-06+8.27916389E-10-4.86464523E-14 2
++2.38180800E+04-4.25312093E+01+3.58448213E+00+3.24459626E-02-1.70150991E-05 3
++4.22715914E-09-4.18452556E-13+2.76514681E+04+9.60644208E+00 4
+C*CCJC*COH C 5H 7O 1 G 300.00 5000.00 1397.00 1
++1.67465815E+01+1.58357240E-02-5.44954706E-06+8.49881387E-10-4.94743246E-14 2
+-4.30972870E+03-6.19378748E+01-2.91175436E+00+6.69362484E-02-5.71603047E-05 3
++2.48753749E-08-4.33243894E-12+1.96441523E+03+4.17454344E+01 4
+HOCO H 1C 1O 2 G 200.00 6000.00 1000.00 1
++5.39206152E+00+4.11221455E-03-1.48194900E-06+2.39875460E-10-1.43903104E-14 2
+-2.38606717E+04-2.23529091E+00+2.92207919E+00+7.62453859E-03+3.29884437E-06 3
+-1.07135205E-08+5.11587057E-12-2.30281524E+04+1.12925886E+01 4
+HOC*CC*O H 4O 2C 3 G 300.00 5000.00 1413.00 1
++1.66505478E+01+6.11745137E-03-2.09080785E-06+3.24985683E-10-1.88875073E-14 2
+-3.82179939E+04-6.36794754E+01-2.01837189E+00+6.26539783E-02-6.73359280E-05 3
++3.39430425E-08-6.48917648E-12-3.31367523E+04+3.18162860E+01 4
+HOC*CCJ*O H 3O 2C 3 G 300.00 5000.00 1414.00 1
++1.52720985E+01+5.02586331E-03-1.68408578E-06+2.58390706E-10-1.48849424E-14 2
+-1.98506828E+04-5.54641734E+01+6.07270082E-01+4.96011303E-02-5.32300885E-05 3
++2.68392951E-08-5.13094510E-12-1.58814562E+04+1.94817133E+01 4
+PBZ C 9H 12 G 300.00 3000.00 1000.00 1
++1.95645600E+01+3.37187500E-02-1.12799700E-05+1.78064900E-09-1.09008600E-13 2
+-8.66884600E+03-7.90585200E+01-4.23830000E+00+9.00641500E-02-5.33140800E-05 3
++9.88389100E-09+1.25966100E-12-1.32686300E+03+4.69942100E+01 4
+PBZJA H 11C 9 G 300.00 3000.00 1000.00 1
++2.17414800E+01+2.69099200E-02-7.90011500E-06+1.13694600E-09-6.53509500E-14 2
++1.50904300E+04-8.86894300E+01-5.10942100E+00+9.91004600E-02-8.14086200E-05 3
++3.66630800E-08-7.42305400E-12+2.29389000E+04+5.13511100E+01 4
+PBZJB H 11C 9 G 300.00 3000.00 1000.00 1
++2.11298500E+01+2.74250100E-02-8.07872700E-06+1.16627600E-09-6.72191000E-14 2
++1.47685100E+04-8.51025000E+01-4.28913500E+00+9.42193900E-02-7.34819200E-05 3
++3.08637000E-08-5.72392500E-12+2.22983600E+04+4.79078900E+01 4
+PBZJC H 11C 9 G 300.00 3000.00 1000.00 1
++2.03510200E+01+2.87417200E-02-8.63546200E-06+1.26215600E-09-7.32408800E-14 2
++8.06550600E+03-8.17730100E+01-3.78837100E+00+8.97499200E-02-6.46241400E-05 3
++2.43737900E-08-4.07184300E-12+1.53855000E+04+4.52579100E+01 4
+C6H5C3H4 H 9C 9 G 300.00 5000.00 1393.00 1
++2.27552458E+01+2.43969901E-02-8.51385950E-06+1.33981649E-09-7.84733524E-14 2
++2.07012023E+04-9.74493675E+01-4.95799544E+00+9.40497566E-02-7.70155559E-05 3
++3.25278599E-08-5.57386852E-12+2.98543817E+04+4.96805752E+01 4
+C6H5C2H4HCO C 9O 1H 10 G 300.00 5000.00 1389.00 1
++2.45201777E+01+2.65966062E-02-9.06999913E-06+1.40649173E-09-8.15706632E-14 2
+-2.06440651E+04-1.03260879E+02-3.51452942E+00+9.44753458E-02-7.23466221E-05 3
++2.84149855E-08-4.52662508E-12-1.11972167E+04+4.63750693E+01 4
+C6H5C2H4CO H 9C 9O 1 G 300.00 5000.00 1388.00 1
++2.41401504E+01+2.44085832E-02-8.32461450E-06+1.29120181E-09-7.49030128E-14 2
+-1.69689524E+03-9.95597353E+01-2.74324766E+00+8.96773901E-02-6.92714443E-05 3
++2.73162150E-08-4.35475868E-12+7.33171062E+03+4.38474772E+01 4
+C6H5C2H2HCO H 8C 9O 1 G 300.00 5000.00 1395.00 1
++2.43396805E+01+2.29488876E-02-7.99206120E-06+1.25607828E-09-7.35059093E-14 2
+-1.03809934E+04-1.04678423E+02-4.45326828E+00+9.77441883E-02-8.40254088E-05 3
++3.68956893E-08-6.49941387E-12-1.14134809E+03+4.72765941E+01 4
+BC6H5C3H5OHA H 11C 9O 1 G 300.00 5000.00 1000.00 1
++2.17480490E+01+2.94321870E-02-8.74782750E-06+1.26976090E-09-7.33894350E-14 2
+-3.51209960E+03-8.24292140E+01-4.79796890E+00+1.06230180E-01-9.47998780E-05 3
++4.77062510E-08-1.07049510E-11+3.83612840E+03+5.43512690E+01 4
+AC6H5C3H5OHB H 11C 9O 1 G 300.00 5000.00 1000.00 1
++4.26098710E+01+1.48712080E-03-4.09507880E-08-1.60705690E-12+2.12571690E-16 2
+-1.40060860E+04-2.02498250E+02-2.81981250E+00+9.51892290E-02-7.03555420E-05 3
++2.95624110E-08-7.51497390E-12+2.12277250E+03+4.47981990E+01 4
+CC6H5C3H5OHB H 11C 9O 1 G 300.00 5000.00 1000.00 1
++4.17666890E+01+2.05666360E-03-3.44630350E-08-1.36387660E-11+1.33513310E-15 2
+-2.15295590E+04-1.98229100E+02-1.93873630E+00+8.90196640E-02-6.07336990E-05 3
++2.35852160E-08-6.15332780E-12-5.74133500E+03+4.07362980E+01 4
+BC6H5C3H5OHC H 11C 9O 1 G 300.00 5000.00 1392.00 1
++2.56278980E+01+2.71742952E-02-9.14982234E-06+1.40759294E-09-8.12078708E-14 2
+-7.96732596E+03-1.05500570E+02-5.41454336E+00+1.02219649E-01-7.80367976E-05 3
++2.99199282E-08-4.56777226E-12+2.39900315E+03+6.00533071E+01 4
+PBZOHAQJB H 11C 9O 3 G 300.00 5000.00 1000.00 1
++3.19565431E+01+2.62882126E-02-9.34949766E-06+1.49004559E-09-8.80437571E-14 2
+-2.64172679E+04-1.36826090E+02-3.17466752E+00+1.11126079E-01-8.88134603E-05 3
++3.58635381E-08-5.86576689E-12-1.44890054E+04+5.08828040E+01 4
+PBZOHBQJA H 11C 9O 3 G 300.00 5000.00 1000.00 1
++3.19565431E+01+2.62882126E-02-9.34949766E-06+1.49004559E-09-8.80437571E-14 2
+-2.64172679E+04-1.36826090E+02-3.17466752E+00+1.11126079E-01-8.88134603E-05 3
++3.58635381E-08-5.86576689E-12-1.44890054E+04+5.08828040E+01 4
+PBZOHBQJC H 11C 9O 3 G 300.00 5000.00 1395.00 1
++3.27032733E+01+2.57270580E-02-9.17338705E-06+1.46447770E-09-8.66360485E-14 2
+-2.83875449E+04-1.41158304E+02-4.44255203E+00+1.16886944E-01-9.60843767E-05 3
++3.97166890E-08-6.61490372E-12-1.59406599E+04+5.67652602E+01 4
+PBZOHCQJB H 11C 9O 3 G 300.00 5000.00 1395.00 1
++3.27032733E+01+2.57270580E-02-9.17338705E-06+1.46447770E-09-8.66360485E-14 2
+-2.83875449E+04-1.41158304E+02-4.44255203E+00+1.16886944E-01-9.60843767E-05 3
++3.97166890E-08-6.61490372E-12-1.59406599E+04+5.67652602E+01 4
+COC6H5C3H4-1 H 9C 9O 1 G 300.00 5000.00 1394.00 1
++2.51730730E+01+2.36753732E-02-8.01815748E-06+1.23843432E-09-7.16504593E-14 2
++1.04394911E+04-1.06613466E+02-6.47405067E+00+1.04577612E-01-8.77058889E-05 3
++3.70258549E-08-6.22136179E-12+2.05936790E+04+6.06489707E+01 4
+AOC6H5C3H4-2 H 9C 9O 1 G 300.00 5000.00 1000.00 1
+-3.95608520E+00+6.88598980E-02-2.88535450E-05+5.33358510E-09-3.64491610E-13 2
++2.25842190E+04+5.62221070E+01-6.92343000E+00+1.05615910E-01-8.59674400E-05 3
++2.96652800E-08-1.47172370E-12+2.03500430E+04+6.06869740E+01 4
+CH3C6H4C2H3 C 9H 10 G 300.00 5000.00 1387.00 1
++2.13664963E+01+2.79354157E-02-9.69178877E-06+1.51917696E-09-8.87326037E-14 2
++2.91092188E+03-9.00111261E+01-2.76029596E+00+8.32252436E-02-5.85472575E-05 3
++2.14521211E-08-3.26642304E-12+1.14654148E+04+4.00613508E+01 4
+PBZAOO H 11O 2C 9 G 300.00 5000.00 1395.00 1
++2.60100310E+01+3.05269833E-02-1.05277313E-05+1.64356861E-09-9.57274565E-14 2
+-5.53765496E+03-1.07121503E+02-1.92533205E+00+9.78626322E-02-7.35480328E-05 3
++2.88798372E-08-4.66324139E-12+3.98082265E+03+4.22131510E+01 4
+PBZBOO H 11O 2C 9 G 300.00 5000.00 1395.00 1
++2.61985495E+01+3.03972000E-02-1.04905146E-05+1.63861317E-09-9.54755955E-14 2
+-7.38310902E+03-1.09569753E+02-2.96923427E+00+1.01297075E-01-7.73920065E-05 3
++3.07549734E-08-5.00386878E-12+2.47883681E+03+4.61142100E+01 4
+PBZCOO H 11O 2C 9 G 300.00 5000.00 1391.00 1
++2.70881043E+01+3.01154190E-02-1.04993048E-05+1.65111529E-09-9.66567337E-14 2
+-7.00093223E+03-1.15003897E+02-4.34282012E+00+1.08344981E-01-8.70542620E-05 3
++3.65251404E-08-6.27300908E-12+3.51026948E+03+5.22250337E+01 4
+CYCLO4 C 9O 1H 10 G 300.00 5000.00 1397.00 1
++2.37726733E+01+2.89480407E-02-1.00625132E-05+1.57951207E-09-9.23531341E-14 2
+-8.37597674E+03-1.05257887E+02-8.57322587E+00+1.07325489E-01-8.30221037E-05 3
++3.25802219E-08-5.15410189E-12+2.50367023E+03+6.73411270E+01 4
+CYC3AB C 9O 1H 10 G 300.00 5000.00 1401.00 1
++2.45093593E+01+2.76102019E-02-9.53577921E-06+1.49036586E-09-8.68780051E-14 2
+-9.50038949E+03-1.06959229E+02-7.50212964E+00+1.09277846E-01-9.04022957E-05 3
++3.82180610E-08-6.49216399E-12+8.63865971E+02+6.24118032E+01 4
+CYC3CB C 9O 1H 10 G 300.00 5000.00 1400.00 1
++2.51843400E+01+2.72247476E-02-9.44515572E-06+1.48069215E-09-8.64976604E-14 2
+-1.13678642E+04-1.12095000E+02-8.71622530E+00+1.14800670E-01-9.74375757E-05 3
++4.20587977E-08-7.26758241E-12-4.94636085E+02+6.68959615E+01 4
+PBOOHA-B H 11O 2C 9 G 300.00 5000.00 1390.00 1
++2.84279465E+01+2.72337866E-02-9.23504153E-06+1.42727744E-09-8.26017630E-14 2
++8.89160247E+01-1.17892351E+02-2.13910763E+00+9.88691816E-02-7.22123037E-05 3
++2.60613250E-08-3.69502884E-12+1.05104962E+04+4.59079604E+01 4
+PBOOHAOOB H 11O 4C 9 G 300.00 5000.00 1397.00 1
++3.17911704E+01+2.99725600E-02-1.03622607E-05+1.62055740E-09-9.45058111E-14 2
+-1.99178324E+04-1.32067455E+02-3.31956743E-01+1.10717564E-01-8.94221948E-05 3
++3.73011122E-08-6.30733218E-12-9.34685928E+03+3.84065028E+01 4
+PBKETAB O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHA-C H 11O 2C 9 G 300.00 5000.00 1393.00 1
++2.91040521E+01+2.79063105E-02-9.72230086E-06+1.52835255E-09-8.94514518E-14 2
+-6.08616812E+03-1.25795788E+02-7.30519347E-01+9.93024480E-02-7.55184591E-05 3
++2.93199764E-08-4.62241121E-12+4.08038449E+03+3.37916753E+01 4
+PBOOHAOOC H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.54467808E+01+2.76200740E-02-9.72222953E-06+1.53890595E-09-9.05024965E-14 2
+-1.99976341E+04-1.54316732E+02-7.54324990E-01+1.18518598E-01-9.86235689E-05 3
++4.16428164E-08-7.07876652E-12-8.08039201E+03+3.78275405E+01 4
+PBKETAC O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHB-A H 11O 2C 9 G 300.00 5000.00 1397.00 1
++2.82009481E+01+2.85053616E-02-9.89144729E-06+1.55082497E-09-9.06001651E-14 2
+-2.24733750E+02-1.18954677E+02-3.09478849E+00+1.05268259E-01-8.26470768E-05 3
++3.31800057E-08-5.39016538E-12+1.02326139E+04+4.77507684E+01 4
+PBOOHBOOA H 11O 4C 9 G 300.00 5000.00 1397.00 1
++3.17911704E+01+2.99725600E-02-1.03622607E-05+1.62055740E-09-9.45058111E-14 2
+-1.99178324E+04-1.32067455E+02-3.31956743E-01+1.10717564E-01-8.94221948E-05 3
++3.73011122E-08-6.30733218E-12-9.34685928E+03+3.84065028E+01 4
+PBKETBA O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHB-C H 11O 2C 9 G 300.00 5000.00 1393.00 1
++2.92702523E+01+2.78205937E-02-9.70565280E-06+1.52715177E-09-8.94397508E-14 2
+-7.92583662E+03-1.28124201E+02-1.70685061E+00+1.02447570E-01-7.89573884E-05 3
++3.09692133E-08-4.91831549E-12+2.56795852E+03+3.73779076E+01 4
+PBOOHBOOC H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.26114971E+01+2.98421667E-02-1.04450319E-05+1.64697489E-09-9.65961733E-14 2
+-1.96025729E+04-1.38284141E+02-2.42273542E+00+1.18795040E-01-9.91763669E-05 3
++4.27135056E-08-7.45360698E-12-8.09556849E+03+4.74380127E+01 4
+PBKETBC O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHC-A H 11O 2C 9 G 300.00 5000.00 1392.00 1
++2.91409134E+01+2.81242141E-02-9.85392586E-06+1.55488258E-09-9.12416112E-14 2
++1.45924910E+02-1.23558454E+02-4.55893725E+00+1.12716392E-01-9.28579156E-05 3
++3.92369979E-08-6.71150107E-12+1.12775635E+04+5.53773386E+01 4
+PBOOHCOOA H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.26114971E+01+2.98421667E-02-1.04450319E-05+1.64697489E-09-9.65961733E-14 2
+-1.96025729E+04-1.37187010E+02-2.42273542E+00+1.18795040E-01-9.91763669E-05 3
++4.27135056E-08-7.45360698E-12-8.09556849E+03+4.85351441E+01 4
+PBKETCA O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHC-B H 11O 2C 9 G 300.00 5000.00 1390.00 1
++2.87563540E+01+2.81224913E-02-9.78337876E-06+1.53680000E-09-8.99094032E-14 2
+-1.10863041E+03-1.21632364E+02-4.46275035E+00+1.09332437E-01-8.64790474E-05 3
++3.47818901E-08-5.65192556E-12+1.00175698E+04+5.54158315E+01 4
+PBOOHCOOB H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.26114971E+01+2.98421667E-02-1.04450319E-05+1.64697489E-09-9.65961733E-14 2
+-1.96025729E+04-1.38284141E+02-2.42273542E+00+1.18795040E-01-9.91763669E-05 3
++4.27135056E-08-7.45360698E-12-8.09556849E+03+4.74380127E+01 4
+PBKETCB O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOJ H 11C 9O 1 G 300.00 5000.00 1394.00 1
++2.61696989E+01+2.76087733E-02-9.39211027E-06+1.45417431E-09-8.42488163E-14 2
+-5.38394374E+03-1.12912464E+02-6.63967839E+00+1.09920176E-01-8.89776285E-05 3
++3.65976463E-08-6.03700490E-12+5.32952328E+03+6.10964475E+01 4
+PBO C 9O 1H 10 G 300.00 5000.00 1388.00 1
++2.36210601E+01+2.82169638E-02-9.80624365E-06+1.53894142E-09-8.99632231E-14 2
+-2.40798552E+04-9.93510220E+01-2.67701312E+00+8.94321050E-02-6.47935290E-05 3
++2.43148248E-08-3.76412635E-12-1.48801436E+04+4.20409156E+01 4
+PBENOOH O 2C 9H 10 G 300.00 5000.00 1395.00 1
++2.74653127E+01+2.70162692E-02-9.37831272E-06+1.47065698E-09-8.59253330E-14 2
+-9.53405041E+03-1.16525705E+02-1.97671762E+00+1.01122707E-01-8.22697399E-05 3
++3.46107359E-08-5.90945733E-12+1.68190619E+02+3.97244489E+01 4
+AC6H5C4H8 H 13C 10 G 300.00 5000.00 1395.00 1
++2.63195668E+01+3.22014066E-02-1.09791469E-05+1.70158839E-09-9.86239739E-14 2
++9.94241670E+03-1.13082008E+02-5.45675956E+00+1.09122905E-01-8.25272801E-05 3
++3.20915301E-08-5.06141805E-12+2.06406285E+04+5.65096112E+01 4
+BC6H5C4H8 H 13C 10 G 300.00 5000.00 1388.00 1
++2.62094455E+01+3.18543753E-02-1.07757053E-05+1.66215541E-09-9.60490097E-14 2
++8.53697685E+03-1.12088233E+02-4.89499625E+00+1.03472638E-01-7.25748996E-05 3
++2.53788579E-08-3.50769312E-12+1.93152099E+04+5.51207574E+01 4
+CC6H5C4H8 H 13C 10 G 300.00 5000.00 1388.00 1
++2.62094455E+01+3.18543753E-02-1.07757053E-05+1.66215541E-09-9.60490097E-14 2
++8.53697685E+03-1.12088233E+02-4.89499625E+00+1.03472638E-01-7.25748996E-05 3
++2.53788579E-08-3.50769312E-12+1.93152099E+04+5.51207574E+01 4
+DC6H5C4H8 H 13C 10 G 300.00 5000.00 1393.00 1
++2.70273993E+01+3.21704122E-02-1.10893400E-05+1.73097280E-09-1.00815459E-13 2
++2.35147019E+03-1.20696474E+02-3.97290080E+00+1.05990334E-01-7.87536684E-05 3
++3.01569625E-08-4.71350779E-12+1.29600077E+04+4.52696443E+01 4
+BC6H5C4H6-3 H 11C 10 G 300.00 5000.00 1391.00 1
++2.47070740E+01+2.90264191E-02-9.91397307E-06+1.53860047E-09-8.92709004E-14 2
++2.23032232E+04-1.04039398E+02-4.37243296E+00+9.78810028E-02-7.21054814E-05 3
++2.70409791E-08-4.09629384E-12+3.22392342E+04+5.16926203E+01 4
+CC6H5C4H6-1 H 11C 10 G 300.00 5000.00 1390.00 1
++2.51229558E+01+2.81005272E-02-9.48298210E-06+1.46083903E-09-8.43531064E-14 2
++2.44662758E+04-1.05142326E+02-5.17174396E+00+9.99499536E-02-7.39211502E-05 3
++2.74237635E-08-4.04934030E-12+3.47360317E+04+5.69401550E+01 4
+DC6H5C4H6-1 H 11C 10 G 300.00 5000.00 1394.00 1
++2.59340983E+01+2.84263046E-02-9.79818843E-06+1.52952343E-09-8.90909075E-14 2
++1.82936918E+04-1.13694812E+02-4.31081400E+00+1.02842357E-01-8.07007396E-05 3
++3.25777716E-08-5.33680982E-12+2.83870153E+04+4.73493640E+01 4
+C6H5C4H5 C 10H 10 G 300.00 5000.00 1398.00 1
++2.51177291E+01+2.71079788E-02-9.36415847E-06+1.46361840E-09-8.53182081E-14 2
++1.23688395E+04-1.10413157E+02-6.13672076E+00+1.09990763E-01-9.57033138E-05 3
++4.29399928E-08-7.72933039E-12+2.22598478E+04+5.39819170E+01 4
+C6H5C4H8OJA H 13C 10O 1 G 300.00 5000.00 1394.00 1
++2.84513486E+01+3.32063635E-02-1.14739814E-05+1.79387989E-09-1.04595186E-13 2
+-7.55212227E+03-1.22499678E+02-5.30615619E+00+1.15113502E-01-8.83561440E-05 3
++3.49764035E-08-5.64138940E-12+3.84810478E+03+5.76884946E+01 4
+C6H5C4H8OJB H 13C 10O 1 G 300.00 5000.00 1397.00 1
++2.89950874E+01+3.27117416E-02-1.12953327E-05+1.76509703E-09-1.02881048E-13 2
+-9.85437258E+03-1.26409892E+02-5.76019225E+00+1.19264276E-01-9.50280784E-05 3
++3.90501895E-08-6.50879318E-12+1.65099626E+03+5.82986152E+01 4
+C6H5C4H8OJC H 13C 10O 1 G 300.00 5000.00 1397.00 1
++2.89950874E+01+3.27117416E-02-1.12953327E-05+1.76509703E-09-1.02881048E-13 2
+-9.85437258E+03-1.26409892E+02-5.76019225E+00+1.19264276E-01-9.50280784E-05 3
++3.90501895E-08-6.50879318E-12+1.65099626E+03+5.82986152E+01 4
+C6H5C4H8OJD H 13C 10O 1 G 300.00 5000.00 1394.00 1
++2.94596622E+01+3.21058244E-02-1.10459202E-05+1.72245524E-09-1.00263509E-13 2
+-9.58226117E+03-1.29304628E+02-6.76952885E+00+1.21689929E-01-9.65915717E-05 3
++3.91507891E-08-6.40399151E-12+2.42637877E+03+6.33845304E+01 4
+C6H5C4H8QJA H 13C 10O 2 G 300.00 5000.00 1392.00 1
++2.90162301E+01+3.52898469E-02-1.21938858E-05+1.90620549E-09-1.11128246E-13 2
+-9.68367141E+03-1.21895498E+02-2.28279674E+00+1.08214505E-01-7.75111304E-05 3
++2.87453483E-08-4.38354548E-12+1.23163982E+03+4.63125321E+01 4
+C6H5C4H8QJB H 13C 10O 2 G 300.00 5000.00 1392.00 1
++3.06747172E+01+3.38518540E-02-1.17861965E-05+1.85183804E-09-1.08339822E-13 2
+-1.06726621E+04-1.31483945E+02-3.91962734E+00+1.19337110E-01-9.46664205E-05 3
++3.92235446E-08-6.66222898E-12+9.49580676E+02+5.27803492E+01 4
+C6H5C4H8QJC H 13C 10O 2 G 300.00 5000.00 1392.00 1
++2.90162301E+01+3.52898469E-02-1.21938858E-05+1.90620549E-09-1.11128246E-13 2
+-9.68367141E+03-1.21895498E+02-2.28279674E+00+1.08214505E-01-7.75111304E-05 3
++2.87453483E-08-4.38354548E-12+1.23163982E+03+4.63125321E+01 4
+C6H5C4H8QJD H 13C 10O 2 G 300.00 5000.00 1384.00 1
++3.29433924E+01+3.24682623E-02-1.24870478E-05+2.07708155E-09-1.25876772E-13 2
+-1.26391156E+04-1.46881012E+02-3.28758026E+00+1.13009541E-01-8.07422394E-05 3
++2.85337544E-08-4.11461923E-12+4.66204317E+02+4.93485667E+01 4
+BBZQA C 10O 2H 14 G 300.00 5000.00 1392.00 1
++3.20065100E+01+3.52390466E-02-1.22591795E-05+1.92517610E-09-1.12592895E-13 2
+-2.78611688E+04-1.39446935E+02-4.34731205E+00+1.23976480E-01-9.66502396E-05 3
++3.90676024E-08-6.45939531E-12-1.55834398E+04+5.45018094E+01 4
+BBZQB C 10O 2H 14 G 300.00 5000.00 1394.00 1
++3.26656531E+01+3.46918358E-02-1.20729164E-05+1.89633800E-09-1.10922550E-13 2
+-2.97300156E+04-1.43770581E+02-5.67396621E+00+1.32067178E-01-1.09151697E-04 3
++4.67567747E-08-8.12851930E-12-1.71474860E+04+5.94498425E+01 4
+BBZQC C 10O 2H 14 G 300.00 5000.00 1394.00 1
++3.26656531E+01+3.46918358E-02-1.20729164E-05+1.89633800E-09-1.10922550E-13 2
+-2.97300156E+04-1.43770581E+02-5.67396621E+00+1.32067178E-01-1.09151697E-04 3
++4.67567747E-08-8.12851930E-12-1.71474860E+04+5.94498425E+01 4
+BBZQD C 10O 2H 14 G 300.00 5000.00 1392.00 1
++3.27472154E+01+3.48071628E-02-1.21549070E-05+1.91364021E-09-1.12115639E-13 2
+-2.93529434E+04-1.44602154E+02-6.14874040E+00+1.32282089E-01-1.07905808E-04 3
++4.55411998E-08-7.81742762E-12-1.64555397E+04+6.20355219E+01 4
+BBZQDRC H 13C 10O 2 G 300.00 5000.00 1378.00 1
++3.50019111E+01+2.87252676E-02-1.02736005E-05+1.64342241E-09-9.73577978E-14 2
+-6.67463944E+03-1.55090999E+02-4.16103787E+00+1.18012012E-01-8.70718641E-05 3
++3.13566089E-08-4.47720363E-12+7.07215874E+03+5.59040844E+01 4
+BBZQDRB H 13C 10O 2 G 300.00 5000.00 1378.00 1
++3.50019111E+01+2.87252676E-02-1.02736005E-05+1.64342241E-09-9.73577978E-14 2
+-6.67463944E+03-1.55090999E+02-4.16103787E+00+1.18012012E-01-8.70718641E-05 3
++3.13566089E-08-4.47720363E-12+7.07215874E+03+5.59040844E+01 4
+BBZQDRA H 13C 10O 2 G 300.00 5000.00 1386.00 1
++3.93762569E+01+2.25455378E-02-8.16428066E-06+1.31681682E-09-7.84576081E-14 2
+-6.62647344E+03-1.78777565E+02-5.83750920E+00+1.31086773E-01-1.06311159E-04 3
++4.09901183E-08-6.12537343E-12+8.47625294E+03+6.25071188E+01 4
+BBZQCRD H 13C 10O 2 G 300.00 5000.00 1393.00 1
++3.24461397E+01+3.23001850E-02-1.12422304E-05+1.76615872E-09-1.03324222E-13 2
+-1.20253210E+04-1.43752893E+02-1.91152707E+00+1.14563903E-01-8.70814451E-05 3
++3.38034613E-08-5.32782390E-12-3.24309622E+02+4.00092596E+01 4
+BBZQCRB H 13C 10O 2 G 300.00 5000.00 1392.00 1
++3.15907994E+01+3.19126011E-02-1.08769101E-05+1.68615455E-09-9.77710911E-14 2
+-5.77960555E+03-1.34844191E+02-3.34238809E+00+1.14287503E-01-8.41507689E-05 3
++3.08820530E-08-4.49258656E-12+6.10816487E+03+5.22195676E+01 4
+BBZQCRA H 13C 10O 2 G 300.00 5000.00 1396.00 1
++3.13658330E+01+3.30084390E-02-1.14392043E-05+1.79189327E-09-1.04617323E-13 2
+-4.32228533E+03-1.33429077E+02-3.26166239E+00+1.17215948E-01-9.05288848E-05 3
++3.58767309E-08-5.77209934E-12+7.33468909E+03+5.13045425E+01 4
+BBZQBRD H 13C 10O 2 G 300.00 5000.00 1393.00 1
++3.24461397E+01+3.23001850E-02-1.12422304E-05+1.76615872E-09-1.03324222E-13 2
+-1.20253210E+04-1.43752893E+02-1.91152707E+00+1.14563903E-01-8.70814451E-05 3
++3.38034613E-08-5.32782390E-12-3.24309622E+02+4.00092596E+01 4
+BBZQBRC H 13C 10O 2 G 300.00 5000.00 1392.00 1
++3.15907994E+01+3.19126011E-02-1.08769101E-05+1.68615455E-09-9.77710911E-14 2
+-5.77960555E+03-1.34844191E+02-3.34238809E+00+1.14287503E-01-8.41507689E-05 3
++3.08820530E-08-4.49258656E-12+6.10816487E+03+5.22195676E+01 4
+BBZQBRA H 13C 10O 2 G 300.00 5000.00 1396.00 1
++3.13658330E+01+3.30084390E-02-1.14392043E-05+1.79189327E-09-1.04617323E-13 2
+-4.32228533E+03-1.33429077E+02-3.26166239E+00+1.17215948E-01-9.05288848E-05 3
++3.58767309E-08-5.77209934E-12+7.33468909E+03+5.13045425E+01 4
+BBZQARD H 13C 10O 2 G 300.00 5000.00 1390.00 1
++3.20992779E+01+3.26909419E-02-1.13986543E-05+1.79285634E-09-1.04971900E-13 2
+-1.02286452E+04-1.40509019E+02-1.02735642E+00+1.09403500E-01-7.91296498E-05 3
++2.89834038E-08-4.30121866E-12+1.32154441E+03+3.76064691E+01 4
+BBZQARC H 13C 10O 2 G 300.00 5000.00 1403.00 1
++2.93863915E+01+3.42926490E-02-1.12686664E-05+1.70423736E-09-9.71300419E-14 2
+-2.98333233E+03-1.20570493E+02-2.91760286E+00+1.11777644E-01-8.11444186E-05 3
++2.97737719E-08-4.32521629E-12+7.80993959E+03+5.18326248E+01 4
+BBZQARB H 13C 10O 2 G 300.00 5000.00 1403.00 1
++2.93863915E+01+3.42926490E-02-1.12686664E-05+1.70423736E-09-9.71300419E-14 2
+-2.98333233E+03-1.20570493E+02-2.91760286E+00+1.11777644E-01-8.11444186E-05 3
++2.97737719E-08-4.32521629E-12+7.80993959E+03+5.18326248E+01 4
+BBZQDQJC H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQDQJB H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQDQJA H 13C 10O 4 G 300.00 5000.00 1401.00 1
++3.27099760E+01+3.80904015E-02-1.29667781E-05+2.00644744E-09-1.16130582E-13 2
+-2.22183264E+04-1.35577415E+02-2.25889265E+00+1.30180388E-01-1.08410677E-04 3
++4.77034624E-08-8.51924644E-12-1.10593617E+04+4.86268822E+01 4
+BBZQCQJD H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQCQJB H 13C 10O 4 G 300.00 5000.00 1399.00 1
++3.53134294E+01+3.40723317E-02-1.17486465E-05+1.83410555E-09-1.06825799E-13 2
+-2.58170871E+04-1.50944081E+02-1.37700840E+00+1.27795763E-01-1.05200438E-04 3
++4.47788240E-08-7.70670237E-12-1.38915124E+04+4.32385702E+01 4
+BBZQCQJA H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZQBQJD H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQBQJC H 13C 10O 4 G 300.00 5000.00 1399.00 1
++3.53134294E+01+3.40723317E-02-1.17486465E-05+1.83410555E-09-1.06825799E-13 2
+-2.58170871E+04-1.50944081E+02-1.37700840E+00+1.27795763E-01-1.05200438E-04 3
++4.47788240E-08-7.70670237E-12-1.38915124E+04+4.32385702E+01 4
+BBZQBQJA H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZQAQJD H 13C 10O 4 G 300.00 5000.00 1401.00 1
++3.27099760E+01+3.80904015E-02-1.29667781E-05+2.00644744E-09-1.16130582E-13 2
+-2.22183264E+04-1.35577415E+02-2.25889265E+00+1.30180388E-01-1.08410677E-04 3
++4.77034624E-08-8.51924644E-12-1.10593617E+04+4.86268822E+01 4
+BBZQAQJC H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZQAQJB H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZOCQD C 10H 12O 3 G 300.00 5000.00 1391.00 1
++3.35272823E+01+3.17155615E-02-1.11151484E-05+1.75414800E-09-1.02943293E-13 2
+-4.26373309E+04-1.44609387E+02-4.33502426E+00+1.28416013E-01-1.08313643E-04 3
++4.71152301E-08-8.29434144E-12-3.02459913E+04+5.59244546E+01 4
+BBZOBQD C 10H 12O 3 G 300.00 5000.00 1389.00 1
++3.32203594E+01+3.20804742E-02-1.12652374E-05+1.78018888E-09-1.04568173E-13 2
+-4.26270615E+04-1.43078260E+02-3.53491176E+00+1.22738370E-01-9.88568978E-05 3
++4.11083699E-08-6.97356018E-12-3.02793303E+04+5.27289246E+01 4
+BBZOAQD C 10H 12O 3 G 300.00 5000.00 1390.00 1
++3.34678308E+01+3.18186095E-02-1.11628270E-05+1.76289371E-09-1.03506517E-13 2
+-3.88627053E+04-1.43715988E+02-2.98711536E+00+1.22230054E-01-9.90292264E-05 3
++4.14257145E-08-7.06013074E-12-2.66697555E+04+5.03079159E+01 4
+BBZODQC C 10H 12O 3 G 300.00 5000.00 1393.00 1
++3.42579373E+01+3.10810453E-02-1.08939677E-05+1.71944686E-09-1.00917661E-13 2
+-1.29900278E+04-1.49888746E+02-4.64180376E+00+1.30016034E-01-1.09306832E-04 3
++4.69584248E-08-8.13062352E-12-2.82058740E+02+5.61786177E+01 4
+BBZOBQC C 10H 12O 3 G 300.00 5000.00 1392.00 1
++3.36734804E+01+3.15898633E-02-1.10723623E-05+1.74760322E-09-1.02569998E-13 2
+-4.26116369E+04-1.45792573E+02-4.76743980E+00+1.28051250E-01-1.05570223E-04 3
++4.45316371E-08-7.59402941E-12-2.99240412E+04+5.83058545E+01 4
+BBZOAQC C 10H 12O 3 G 300.00 5000.00 1392.00 1
++3.33806026E+01+3.16761016E-02-1.10642378E-05+1.74223753E-09-1.02086934E-13 2
+-3.92264996E+04-1.42826031E+02-2.46304489E+00+1.21819085E-01-1.00002241E-04 3
++4.24577272E-08-7.32586988E-12-2.73697549E+04+4.74892243E+01 4
+BBZODQB C 10H 12O 3 G 300.00 5000.00 1391.00 1
++3.36726156E+01+3.15259909E-02-1.10345070E-05+1.73992324E-09-1.02047241E-13 2
+-1.33627844E+04-1.46053045E+02-2.68620243E+00+1.23388659E-01-1.02246011E-04 3
++4.37989670E-08-7.61792966E-12-1.36674405E+03+4.68663270E+01 4
+BBZOCQB C 10H 12O 3 G 300.00 5000.00 1391.00 1
++3.35272823E+01+3.17155615E-02-1.11151484E-05+1.75414800E-09-1.02943293E-13 2
+-4.26373309E+04-1.44609387E+02-4.33502426E+00+1.28416013E-01-1.08313643E-04 3
++4.71152301E-08-8.29434144E-12-3.02459913E+04+5.59244546E+01 4
+BBZOAQB C 10H 12O 3 G 300.00 5000.00 1394.00 1
++3.39473225E+01+3.12721509E-02-1.09433590E-05+1.72540007E-09-1.01192143E-13 2
+-3.88495215E+04-1.46562230E+02-4.28671761E+00+1.27882526E-01-1.06253311E-04 3
++4.51440838E-08-7.74018747E-12-2.63056046E+04+5.61859706E+01 4
+BBZODQA C 10H 12O 3 G 300.00 5000.00 1389.00 1
++3.30876745E+01+3.20379866E-02-1.12147834E-05+1.76846890E-09-1.03726547E-13 2
+-1.10281184E+04-1.42562236E+02-2.23307538E+00+1.19350042E-01-9.58658986E-05 3
++3.99355328E-08-6.79805521E-12+8.27835480E+02+4.55496707E+01 4
+BBZOCQA C 10H 12O 3 G 300.00 5000.00 1388.00 1
++3.23768675E+01+3.26306098E-02-1.14160290E-05+1.79949197E-09-1.05515262E-13 2
+-4.06811904E+04-1.37391918E+02-2.05769135E+00+1.18288570E-01-9.56214578E-05 3
++4.05181941E-08-7.04831403E-12-2.91150439E+04+4.59132655E+01 4
+BBZOBQA C 10H 12O 3 G 300.00 5000.00 1386.00 1
++3.23611140E+01+3.26857545E-02-1.14446936E-05+1.80500228E-09-1.05879021E-13 2
+-3.97375501E+04-1.37482665E+02-6.65998176E-01+1.12253443E-01-8.67416618E-05 3
++3.51235082E-08-5.88315237E-12-2.83889589E+04+3.92427693E+01 4
+BBZOHDRC H 13C 10O 1 G 300.00 5000.00 1390.00 1
++2.89616045E+01+3.13860028E-02-1.05684490E-05+1.62583700E-09-9.37976226E-14 2
+-1.21309203E+04-1.23119546E+02-5.66970835E+00+1.14414123E-01-8.60977131E-05 3
++3.25990800E-08-4.92367334E-12-4.81961655E+02+6.18453183E+01 4
+BBZOHCRD H 13C 10O 1 G 300.00 5000.00 1397.00 1
++2.92194984E+01+3.23735228E-02-1.11452601E-05+1.73813247E-09-1.01165853E-13 2
+-1.85345570E+04-1.28255942E+02-3.78697371E+00+1.14666690E-01-9.09918967E-05 3
++3.74502620E-08-6.26920720E-12-7.60302466E+03+4.71488188E+01 4
+BBZOHCRB H 13C 10O 1 G 300.00 5000.00 1395.00 1
++2.83667165E+01+3.20931153E-02-1.08429774E-05+1.67082144E-09-9.64713801E-14 2
+-1.23304315E+04-1.19446010E+02-4.94261624E+00+1.13128783E-01-8.62235537E-05 3
++3.35119458E-08-5.24087878E-12-1.21085375E+03+5.80940852E+01 4
+BBZOHBRC H 13C 10O 1 G 300.00 5000.00 1393.00 1
++2.63327875E+01+3.24449184E-02-1.17374113E-05+1.98555802E-09-1.23755305E-13 2
++1.18972142E+04-1.05029728E+02-5.70985590E+00+1.13843465E-01-9.24499264E-05 3
++3.89125224E-08-6.64168643E-12+2.23577549E+04+6.47187471E+01 4
+BBZOHARB H 13C 10O 1 G 300.00 5000.00 1389.00 1
++2.83181157E+01+3.17223082E-02-1.06388494E-05+1.63214024E-09-9.39768846E-14 2
+-1.01875596E+04-1.18238369E+02-4.34777611E+00+1.08228515E-01-7.79405448E-05 3
++2.80187822E-08-3.98042093E-12+9.65972335E+02+5.68453377E+01 4
+BBZOHBRA H 13C 10O 1 G 300.00 5000.00 1399.00 1
++2.84776089E+01+3.24462572E-02-1.10511628E-05+1.71135092E-09-9.91269570E-14 2
+-1.09280253E+04-1.19758733E+02-5.43374476E+00+1.18481868E-01-9.57580042E-05 3
++3.99838837E-08-6.74527711E-12+1.03473911E+02+5.98420307E+01 4
+BBZOHDQJC H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.30311013E+01+3.40408082E-02-1.18669584E-05+1.86612850E-09-1.09241991E-13 2
+-3.12136098E+04-1.40145192E+02-4.56302972E+00+1.29702810E-01-1.07695326E-04 3
++4.64604389E-08-8.14383918E-12-1.88655146E+04+5.91077689E+01 4
+BBZOHCQJD H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.30311013E+01+3.40408082E-02-1.18669584E-05+1.86612850E-09-1.09241991E-13 2
+-3.12136098E+04-1.40145192E+02-4.56302972E+00+1.29702810E-01-1.07695326E-04 3
++4.64604389E-08-8.14383918E-12-1.88655146E+04+5.91077689E+01 4
+BBZOHCQJB H 13C 10O 3 G 300.00 5000.00 1395.00 1
++3.29364059E+01+3.39225620E-02-1.17808500E-05+1.84785988E-09-1.07979547E-13 2
+-3.15819175E+04-1.39228613E+02-4.00804466E+00+1.29104151E-01-1.08364411E-04 3
++4.73103694E-08-8.37213499E-12-1.95687320E+04+5.61569241E+01 4
+BBZOHBQJC H 13C 10O 3 G 300.00 5000.00 1395.00 1
++3.29364059E+01+3.39225620E-02-1.17808500E-05+1.84785988E-09-1.07979547E-13 2
+-3.15819175E+04-1.39228613E+02-4.00804466E+00+1.29104151E-01-1.08364411E-04 3
++4.73103694E-08-8.37213499E-12-1.95687320E+04+5.61569241E+01 4
+BBZOHAQJB H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.23285489E+01+3.44987580E-02-1.19929976E-05+1.88237898E-09-1.10046608E-13 2
+-2.92442159E+04-1.35622946E+02-3.50693341E+00+1.24895212E-01-1.01776032E-04 3
++4.33597130E-08-7.54161678E-12-1.73825613E+04+5.46091474E+01 4
+BBZOHBQJA H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.23285489E+01+3.44987580E-02-1.19929976E-05+1.88237898E-09-1.10046608E-13 2
+-2.92442159E+04-1.35622946E+02-3.50693341E+00+1.24895212E-01-1.01776032E-04 3
++4.33597130E-08-7.54161678E-12-1.73825613E+04+5.46091474E+01 4
+BBZE3OJB H 11C 10O 1 G 300.00 5000.00 1394.00 1
++2.90523370E+01+2.74093716E-02-9.35266850E-06+1.45119408E-09-8.42075299E-14 2
++3.90646596E+03-1.27911635E+02-6.32652451E+00+1.18475473E-01-1.00227313E-04 3
++4.29962855E-08-7.37102989E-12+1.52502708E+04+5.89438651E+01 4
+BBZE1OJC H 11C 10O 1 G 300.00 5000.00 1399.00 1
++2.99116577E+01+2.62545201E-02-8.87069640E-06+1.36803699E-09-7.90685061E-14 2
++5.84498598E+03-1.31753020E+02-1.01823067E+01+1.33514918E-01-1.19699450E-04 3
++5.34849264E-08-9.41224521E-12+1.82188656E+04+7.84384040E+01 4
+BBZE1OJD H 11C 10O 1 G 300.00 5000.00 1395.00 1
++2.83699212E+01+2.83475701E-02-9.74832523E-06+1.51990438E-09-8.84729649E-14 2
++6.35212179E+03-1.23023597E+02-7.09355624E+00+1.18355254E-01-9.81812632E-05 3
++4.13217340E-08-6.96841554E-12+1.78548529E+04+6.47375234E+01 4
+C6H5C4H7O-AB C 10H 12O 1 G 300.00 5000.00 1398.00 1
++2.77634636E+01+3.19566159E-02-1.10123814E-05+1.71860622E-09-1.00080496E-13 2
+-1.33020758E+04-1.21940647E+02-1.09331808E+01+1.35517455E-01-1.19634458E-04 3
++5.41172361E-08-9.77533378E-12-1.17987758E+03+8.12159449E+01 4
+C6H5C4H7O-AC C 10H 12O 1 G 300.00 5000.00 1397.00 1
++2.68727413E+01+3.30451034E-02-1.13692767E-05+1.77253264E-09-1.03153111E-13 2
+-1.37466877E+04-1.19258575E+02-1.19381051E+01+1.34599283E-01-1.15212934E-04 3
++5.06324341E-08-8.92755388E-12-1.38536367E+03+8.52713929E+01 4
+C6H5C4H7O-AD C 10H 12O 1 G 300.00 5000.00 1393.00 1
++2.67735806E+01+3.32922438E-02-1.14121606E-05+1.77600856E-09-1.03261952E-13 2
+-2.40065331E+04-1.23307611E+02-1.49020484E+01+1.39375913E-01-1.16157940E-04 3
++4.92331657E-08-8.36915399E-12-1.05018112E+04+9.72649566E+01 4
+C6H5C4H7O-BC C 10H 12O 1 G 300.00 5000.00 1399.00 1
++2.81822143E+01+3.17762095E-02-1.09869659E-05+1.71831813E-09-1.00207714E-13 2
+-1.55975048E+04-1.24549093E+02-1.11353572E+01+1.38533982E-01-1.24741027E-04 3
++5.74097944E-08-1.05130529E-11-3.41401160E+03+8.13557978E+01 4
+C6H5C4H7O-BD C 10H 12O 1 G 300.00 5000.00 1397.00 1
++2.72571916E+01+3.32325698E-02-1.15453770E-05+1.81144652E-09-1.05875648E-13 2
+-1.56401542E+04-1.22098995E+02-1.26166004E+01+1.37934000E-01-1.19416147E-04 3
++5.30848234E-08-9.46958279E-12-2.92934232E+03+8.79820376E+01 4
+C6H5C4H7O-CD C 10H 12O 1 G 300.00 5000.00 1398.00 1
++2.82572068E+01+3.19374957E-02-1.10935110E-05+1.74034091E-09-1.01711015E-13 2
+-1.52270909E+04-1.25367213E+02-1.17147029E+01+1.39232101E-01-1.24241424E-04 3
++5.66912774E-08-1.03194439E-11-2.70669779E+03+8.44222263E+01 4
+C6H4C2H H 5C 8 G 300.00 3000.00 1000.00 1
++9.43202080E+00+3.25329290E-02-1.68709990E-05+4.20594250E-09-4.09400480E-13 2
++6.23576270E+04-2.48636700E+01-4.56114890E+00+8.13046740E-02-8.13362740E-05 3
++4.22006150E-08-8.72984310E-12+6.56187700E+04+4.46738350E+01 4
+A1C2HAC C 10H 7 G 300.00 5000.00 1000.00 1
++1.21998720E+01+4.24216550E-02-2.18133560E-05+5.39916760E-09-5.22371160E-13 2
++6.75357020E+04-3.55326290E+01-2.87461430E+00+9.35986380E-02-8.71626910E-05 3
++4.21237400E-08-8.01506440E-12+7.11222060E+04+3.97275660E+01 4
+A2-X C 10H 7 G 300.00 5000.00 1000.00 1
++9.14717570E+00+4.80582360E-02-2.53147210E-05+6.38292050E-09-6.26509890E-13 2
++4.17725310E+04-2.59244170E+01-6.02056560E+00+9.04003210E-02-6.16294130E-05 3
++1.13763900E-08+3.50244490E-12+4.57999680E+04+5.19691610E+01 4
+A2O C 10H 7O 1 G 300.00 5000.00 1000.00 1
++1.77268430E+01+1.08095730E-02+4.74606580E-06+9.95701080E-10-6.69728000E-13 2
++9.57138280E+03-5.77990530E+01-8.58593850E+00+6.84750150E-02-9.20467850E-06 3
+-3.88479680E-08+2.17720230E-11+1.71742660E+04+8.09439620E+01 4
+A1C2H3AC C 10H 9 G 300.00 5000.00 1396.00 1
++2.50239956E+01+2.39105397E-02-8.10968529E-06+1.25277342E-09-7.24561609E-14 2
++4.35703121E+04-1.05906465E+02-2.83635408E+00+9.62636821E-02-8.11480370E-05 3
++3.50675636E-08-6.07614100E-12+5.24566003E+04+4.10401136E+01 4
+INDENYL C 9H 7 G 200.00 6000.00 1000.00 1
++1.85549761E+01+2.50350502E-02-9.14573755E-06+1.49348099E-09-9.01328268E-14 2
++2.57211482E+04-7.63004782E+01-2.66986010E+00+6.21770959E-02+1.50674040E-05 3
+-7.96461960E-08+4.09191931E-11+3.23869684E+04+3.78611069E+01 4
+INDENOXY C 9H 7O 1 G 300.00 5000.00 1400.00 1
++2.42528927E+01+2.06640524E-02-7.07817790E-06+1.10188688E-09-6.41084876E-14 2
++1.42528941E+04-1.06810256E+02-6.77634193E+00+9.53741681E-02-7.43666757E-05 3
++2.79382769E-08-4.05168693E-12+2.45400171E+04+5.86044645E+01 4
+END
\ No newline at end of file
diff --git a/Exemple/Results full merging/new_model_TIRAMISU_kt.trans b/Exemple/Results full merging/new_model_TIRAMISU_kt.trans
new file mode 100644
index 0000000000000000000000000000000000000000..7595465e61e7ed604195f70cbd04d239031935b9
--- /dev/null
+++ b/Exemple/Results full merging/new_model_TIRAMISU_kt.trans
@@ -0,0 +1,1588 @@
+!
+! n=10000 kinetics and thermodynamics retained from LLNL
+! 03/05/2024
+!kt
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! LLNL TRANSPORT !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+H 0 145.000 2.050 0.000 0.000 0.000
+H2 1 38.000 2.920 0.000 0.790 280.000
+O 0 80.000 2.750 0.000 0.000 0.000
+O2 1 107.400 3.458 0.000 1.600 3.800
+OH 1 80.000 2.750 0.000 0.000 0.000
+H2O 2 572.400 2.605 1.844 0.000 4.000
+HO2 2 107.400 3.458 0.000 0.000 1.000
+H2O2 2 107.400 3.458 0.000 0.000 3.800
+AR 0 136.500 3.330 0.000 0.000 0.000
+CO 1 98.100 3.650 0.000 1.950 1.800
+CO2 1 244.000 3.763 0.000 2.650 2.100
+CH2O 2 498.000 3.590 0.000 0.000 2.000
+HCO 2 498.000 3.590 0.000 0.000 0.000
+HO2CHO 2 436.000 3.970 0.000 0.000 2.000
+O2CHO 2 436.000 3.970 0.000 0.000 2.000
+HOCHO 2 436.000 3.970 0.000 0.000 2.000
+OCHO 2 498.000 3.590 0.000 0.000 2.000
+HOCH2O2H 2 481.800 3.626 1.700 0.000 1.000
+HOCH2O2 2 481.800 3.626 1.700 0.000 1.000
+OCH2O2H 2 481.800 3.626 1.700 0.000 1.000
+HOCH2O 2 470.600 4.410 0.000 0.000 1.500
+CH3OH 2 481.800 3.626 0.000 0.000 1.000
+CH2OH 2 417.000 3.690 1.700 0.000 2.000
+CH3O 2 417.000 3.690 1.700 0.000 2.000
+CH3O2H 2 481.800 3.626 0.000 0.000 1.000
+CH3O2 2 481.800 3.626 0.000 0.000 1.000
+CH4 2 141.400 3.746 0.000 2.600 13.000
+CH3 1 144.000 3.800 0.000 0.000 0.000
+CH2 1 144.000 3.800 0.000 0.000 0.000
+CH2(S) 1 144.000 3.800 0.000 0.000 0.000
+C 0 71.400 3.298 0.000 0.000 0.000
+CH 1 80.000 2.750 0.000 0.000 0.000
+C2H6 2 247.500 4.350 0.000 0.000 1.500
+C2H5 2 247.500 4.350 0.000 0.000 1.500
+C2H4 2 238.400 3.496 0.000 0.000 1.500
+C2H3 2 265.300 3.721 0.000 0.000 1.000
+C2H2 1 265.300 3.721 0.000 0.000 2.500
+C2H 1 265.300 3.721 0.000 0.000 2.500
+CH3CHO 2 436.000 3.970 0.000 0.000 2.000
+CH3CO 2 436.000 3.970 0.000 0.000 2.000
+CH2CHO 2 436.000 3.970 0.000 0.000 2.000
+CH2CO 2 436.000 3.970 0.000 0.000 2.000
+HCCO 2 150.000 2.500 0.000 0.000 1.000
+HCCOH 2 436.000 3.970 0.000 0.000 2.000
+CH3CO3H 2 436.000 3.970 0.000 0.000 2.000
+CH3CO3 2 436.000 3.970 0.000 0.000 2.000
+CH3CO2 2 436.000 3.970 0.000 0.000 2.000
+C2H5OH 2 470.600 4.410 0.000 0.000 1.500
+C2H5O 2 470.600 4.410 0.000 0.000 1.500
+PC2H4OH 2 470.600 4.410 0.000 0.000 1.500
+SC2H4OH 2 470.600 4.410 0.000 0.000 1.500
+O2C2H4OH 2 523.200 5.664 1.700 0.000 1.000
+C2H5O2H 2 470.600 4.410 0.000 0.000 1.500
+C2H5O2 2 470.600 4.410 0.000 0.000 1.500
+C2H4O2H 2 470.600 4.410 0.000 0.000 1.500
+C2H4O1-2 2 436.000 3.970 0.000 0.000 2.000
+C2H3O1-2 2 436.000 3.970 0.000 0.000 2.000
+CH3COCH3 2 435.500 4.860 0.000 0.000 1.000
+CH3COCH2 2 435.500 4.860 0.000 0.000 1.000
+CH3COCH2O2 2 502.115 5.429 0.000 0.000 0.000
+CH3COCH2O2H 2 505.403 5.449 0.000 0.000 0.000
+CH3COCH2O 2 447.639 5.086 0.000 0.000 0.000
+C2H3CHO 2 428.800 4.958 2.900 0.000 1.000
+C2H3CO 2 443.200 4.120 0.000 0.000 1.000
+C2H5CHO 2 435.200 4.662 2.700 0.000 1.000
+C2H5CO 2 424.600 4.820 0.000 0.000 1.000
+CH3OCH3 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O2 2 395.000 4.037 1.300 0.000 1.000
+CH2OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O 2 395.000 4.037 1.300 0.000 1.000
+O2CH2OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+HO2CH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+OCH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+HOCH2OCO 2 395.000 4.037 1.300 0.000 1.000
+CH3OCHO 2 395.000 4.037 1.300 0.000 1.000
+CH3OCO 2 395.000 4.037 1.300 0.000 1.000
+CH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+HE 0 10.200 2.576 0.000 0.000 0.000
+C3H8 2 303.400 4.810 0.000 0.000 1.000
+IC3H7 2 303.400 4.810 0.000 0.000 1.000
+NC3H7 2 303.400 4.810 0.000 0.000 1.000
+C3H6 2 307.800 4.140 0.000 0.000 1.000
+C3H5-A 2 316.000 4.220 0.000 0.000 1.000
+C3H5-S 2 316.000 4.220 0.000 0.000 1.000
+C3H5-T 2 316.000 4.220 0.000 0.000 1.000
+C3H4-P 1 324.800 4.290 0.000 0.000 1.000
+C3H4-A 1 324.800 4.290 0.000 0.000 1.000
+C3H3 1 324.800 4.290 0.000 0.000 1.000
+C3H2 2 209.000 4.100 0.000 0.000 1.000
+C3H5O 2 411.000 4.820 0.000 0.000 1.000
+C3H6OOH1-2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-3 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-1 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-2O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-3O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-1O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-2 2 435.200 4.662 2.700 0.000 1.000
+NC3H7O2H 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O2H 2 459.500 5.036 1.700 0.000 1.000
+NC3H7O2 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O2 2 459.500 5.036 1.700 0.000 1.000
+NC3H7O 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O 2 459.500 5.036 1.700 0.000 1.000
+C3H6O1-2 2 403.600 4.968 2.000 0.000 1.000
+C3H6O1-3 2 403.600 4.968 2.000 0.000 1.000
+C3KET12 2 464.200 5.009 2.600 0.000 1.000
+C3KET13 2 464.200 5.009 2.600 0.000 1.000
+C3KET21 2 464.200 5.009 2.600 0.000 1.000
+C3H51-2,3OOH 2 481.500 4.997 1.700 0.000 1.000
+C3H52-1,3OOH 2 481.500 4.997 1.700 0.000 1.000
+C3H6OH 2 487.900 4.820 0.000 0.000 1.000
+HOC3H6O2 2 487.900 4.820 0.000 0.000 1.000
+CH3CHCO 2 443.200 4.120 0.000 0.000 1.000
+AC3H5OOH 2 481.500 4.997 1.700 0.000 1.000
+C2H3OOH 2 428.800 4.958 2.900 0.000 1.000
+C4H10 2 350.900 5.206 0.000 0.000 1.000
+C4H8-1 2 355.000 4.650 0.000 0.000 1.000
+C4H8-2 2 355.000 4.650 0.000 0.000 1.000
+PC4H9 2 352.000 5.240 0.000 0.000 1.000
+SC4H9 2 352.000 5.240 0.000 0.000 1.000
+C4H71-1 2 355.000 4.650 0.000 0.000 1.000
+C4H71-2 2 355.000 4.650 0.000 0.000 1.000
+C4H71-3 2 355.000 4.650 0.000 0.000 1.000
+C4H71-4 2 355.000 4.650 0.000 0.000 1.000
+C4H72-2 2 355.000 4.650 0.000 0.000 1.000
+C4H6 2 357.000 4.720 0.000 0.000 1.000
+PC4H9O2H 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O2H 2 496.000 5.200 0.000 0.000 1.000
+PC4H9O2 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O2 2 496.000 5.200 0.000 0.000 1.000
+PC4H9O 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O 2 496.000 5.200 0.000 0.000 1.000
+C4H7O 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8O2-3 2 496.000 5.200 0.000 0.000 1.000
+PC4H8OH 2 502.200 5.356 1.800 0.000 1.000
+SC4H8OH 2 502.200 5.356 1.800 0.000 1.000
+C4H8OH-1O2 2 502.200 5.356 1.800 0.000 1.000
+C4H8OH-2O2 2 502.200 5.356 1.800 0.000 1.000
+C4H8OOH1-1 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-1 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-2O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-3O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-4O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-1O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-3O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-4O2 2 496.000 5.200 0.000 0.000 1.000
+NC4KET12 2 476.000 5.778 2.600 0.000 1.000
+NC4KET13 2 476.000 5.778 2.600 0.000 1.000
+NC4KET14 2 476.000 5.778 2.600 0.000 1.000
+NC4KET21 2 476.000 5.778 2.600 0.000 1.000
+NC4KET23 2 476.000 5.778 2.600 0.000 1.000
+NC4KET24 2 476.000 5.778 2.600 0.000 1.000
+C2H5COCH3 2 454.000 5.413 3.300 0.000 1.000
+C2H5COCH2 2 454.000 5.413 3.300 0.000 1.000
+CH2CH2COCH3 2 440.584 5.040 0.000 0.000 0.000
+CH3CHCOCH3 2 440.584 5.040 0.000 0.000 0.000
+C2H3COCH3 2 454.000 5.413 3.300 0.000 1.000
+CH3CHOOCOCH3 2 546.562 5.698 0.000 0.000 0.000
+CH2CHOOHCOCH3 2 546.562 5.698 0.000 0.000 0.000
+NC3H7CHO 2 464.200 5.009 2.600 0.000 1.000
+NC3H7CO 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-1 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-2 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-3 2 464.200 5.009 2.600 0.000 1.000
+C2H5CHCO 2 436.950 5.016 0.000 0.000 0.000
+SC3H5CHO 2 464.200 5.009 2.600 0.000 1.000
+SC3H5CO 2 464.200 5.009 2.600 0.000 1.000
+CH2CH2CHO 2 424.600 4.820 0.000 0.000 1.000
+IC4H10 2 335.700 5.208 0.100 0.000 1.000
+IC4H9 2 352.000 5.240 0.000 0.000 1.000
+TC4H9 2 352.000 5.240 0.000 0.000 1.000
+IC4H8 2 344.500 5.089 0.500 0.000 1.000
+IC4H7 2 355.000 4.650 0.000 0.000 1.000
+TC4H9O2 2 502.252 5.430 0.000 0.000 0.000
+IC4H9O2 2 502.252 5.430 0.000 0.000 0.000
+TC4H8O2H-I 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O2H-I 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O2H-T 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O 2 444.197 5.063 0.000 0.000 0.000
+CC4H8O 2 444.197 5.063 0.000 0.000 0.000
+IC4H9O 2 496.000 5.200 0.000 0.000 1.000
+TC4H9O 2 496.000 5.200 0.000 0.000 1.000
+IC4H9O2H 2 505.540 5.450 0.000 0.000 0.000
+TC4H9O2H 2 505.540 5.450 0.000 0.000 0.000
+IC4H7O 2 496.000 5.200 0.000 0.000 1.000
+IC4H8OH 2 496.000 5.200 0.000 0.000 1.000
+IO2C4H8OH 2 496.000 5.200 0.000 0.000 1.000
+IC3H7CHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6CHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H7CO 2 436.400 5.352 0.000 0.000 1.000
+IC3H6CHO 2 436.400 5.352 0.000 0.000 1.000
+TC4H8OOH-IO2 2 600.078 6.009 0.000 0.000 0.000
+IC4H8OOH-IO2 2 600.078 6.009 0.000 0.000 0.000
+IC4H8OOH-TO2 2 600.078 6.009 0.000 0.000 0.000
+IC4KETII 2 549.655 5.716 0.000 0.000 0.000
+IC4KETIT 2 549.655 5.716 0.000 0.000 0.000
+IC4H7OH 2 502.200 5.356 1.800 0.000 1.000
+IC4H6OH 2 502.200 5.356 1.800 0.000 1.000
+IC3H5CHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H5CO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6OCHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H6CO 2 436.400 5.352 0.000 0.000 1.000
+IC4H7OOH 2 498.949 5.410 0.000 0.000 0.000
+TC3H6OHCHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6OH 2 459.500 5.036 1.700 0.000 1.000
+IC3H5OH 2 459.500 5.036 1.700 0.000 1.000
+TC3H6O2CHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6O2HCO 2 436.400 5.352 0.000 0.000 1.000
+IC3H5O2HCHO 2 436.400 5.352 0.000 0.000 1.000
+CH2CCH2OH 2 481.500 4.997 1.700 0.000 1.000
+TC4H8CHO 2 489.084 5.348 0.000 0.000 0.000
+O2C4H8CHO 2 588.531 5.942 0.000 0.000 0.000
+O2HC4H8CO 2 588.531 5.942 0.000 0.000 0.000
+C3H5OH 2 481.500 4.997 1.700 0.000 1.000
+TIC4H7Q2-I 2 600.078 6.009 0.000 0.000 0.000
+IIC4H7Q2-T 2 600.078 6.009 0.000 0.000 0.000
+IIC4H7Q2-I 2 600.078 6.009 0.000 0.000 0.000
+CH2O2H 2 481.800 3.626 0.000 0.000 1.000
+NC5H12 2 391.700 5.591 0.000 0.000 1.000
+C5H11-1 2 440.735 5.041 0.000 0.000 0.000
+C5H11-2 2 440.735 5.041 0.000 0.000 0.000
+C5H11-3 2 440.735 5.041 0.000 0.000 0.000
+C5H10-1 2 386.200 5.489 0.400 0.000 1.000
+C5H10-2 2 396.800 5.458 0.000 0.000 1.000
+C5H81-3 2 408.000 5.200 0.000 0.000 1.000
+C5H91-3 2 396.800 5.458 0.000 0.000 1.000
+C5H91-4 2 396.800 5.458 0.000 0.000 1.000
+C5H91-5 2 396.800 5.458 0.000 0.000 1.000
+C5H92-4 2 396.800 5.458 0.000 0.000 1.000
+C5H92-5 2 396.800 5.458 0.000 0.000 1.000
+C5H9O1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H9O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-3 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-5 2 546.691 5.698 0.000 0.000 0.000
+C5H10OOH2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-5 2 523.200 5.664 1.700 0.000 1.000
+C5H10O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-2O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-1O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-1O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-2O2 2 523.200 5.664 1.700 0.000 1.000
+NC5KET12 2 494.800 6.174 1.800 0.000 1.000
+NC5KET13 2 494.800 6.174 1.800 0.000 1.000
+NC5KET14 2 494.800 6.174 1.800 0.000 1.000
+NC5KET15 2 494.800 6.174 1.800 0.000 1.000
+NC5KET21 2 494.800 6.174 1.800 0.000 1.000
+NC5KET23 2 494.800 6.174 1.800 0.000 1.000
+NC5KET24 2 494.800 6.174 1.800 0.000 1.000
+NC5KET25 2 494.800 6.174 1.800 0.000 1.000
+NC5KET31 2 494.800 6.174 1.800 0.000 1.000
+NC5KET32 2 494.800 6.174 1.800 0.000 1.000
+C5H10OH-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10OH-2 2 523.200 5.664 1.700 0.000 1.000
+O2C5H10OH-1 2 588.653 5.943 0.000 0.000 0.000
+O2C5H10OH-2 2 588.653 5.943 0.000 0.000 0.000
+NC6H14 2 427.400 5.946 0.000 0.000 1.000
+C6H13-1 2 489.224 5.349 0.000 0.000 0.000
+C6H13-2 2 489.224 5.349 0.000 0.000 0.000
+C6H13-3 2 489.224 5.349 0.000 0.000 0.000
+C6H12-1 2 485.857 5.328 0.000 0.000 0.000
+C6H12-2 2 485.857 5.328 0.000 0.000 0.000
+C6H12-3 2 485.857 5.328 0.000 0.000 0.000
+C6H111-3 2 482.473 5.307 0.000 0.000 0.000
+C6H111-4 2 482.473 5.307 0.000 0.000 0.000
+C6H111-5 2 482.473 5.307 0.000 0.000 0.000
+C6H111-6 2 482.473 5.307 0.000 0.000 0.000
+C6H112-4 2 482.473 5.307 0.000 0.000 0.000
+C6H112-5 2 482.473 5.307 0.000 0.000 0.000
+C6H112-6 2 482.473 5.307 0.000 0.000 0.000
+C6H113-1 2 482.473 5.307 0.000 0.000 0.000
+C6H11O1-3 2 541.500 5.674 1.800 0.000 1.000
+C6H11O2-4 2 541.500 5.674 1.800 0.000 1.000
+C6H12O1-2 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-3 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-4 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-5 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-3 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-4 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-5 2 537.467 5.643 0.000 0.000 0.000
+C6H12O3-4 2 537.467 5.643 0.000 0.000 0.000
+C6H13O2H-1 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2H-2 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2H-3 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H13O2-2 2 588.653 5.943 0.000 0.000 0.000
+C6H13O2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-2 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-1 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-2 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-6 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-2O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-2O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-6O2 2 677.149 6.436 0.000 0.000 0.000
+NC6KET12 2 467.000 6.548 1.800 0.000 1.000
+NC6KET13 2 467.000 6.548 1.800 0.000 1.000
+NC6KET14 2 467.000 6.548 1.800 0.000 1.000
+NC6KET15 2 467.000 6.548 1.800 0.000 1.000
+NC6KET21 2 467.000 6.548 1.800 0.000 1.000
+NC6KET23 2 467.000 6.548 1.800 0.000 1.000
+NC6KET24 2 467.000 6.548 1.800 0.000 1.000
+NC6KET25 2 467.000 6.548 1.800 0.000 1.000
+NC6KET26 2 467.000 6.548 1.800 0.000 1.000
+NC6KET31 2 467.000 6.548 1.800 0.000 1.000
+NC6KET32 2 467.000 6.548 1.800 0.000 1.000
+NC6KET34 2 467.000 6.548 1.800 0.000 1.000
+NC6KET35 2 467.000 6.548 1.800 0.000 1.000
+NC6KET36 2 467.000 6.548 1.800 0.000 1.000
+C6H13O-1 2 540.597 5.662 0.000 0.000 0.000
+C6H13O-2 2 540.597 5.662 0.000 0.000 0.000
+C6H13O-3 2 540.597 5.662 0.000 0.000 0.000
+C6H12OH-1 2 541.500 5.674 1.800 0.000 1.000
+C6H12OH-2 2 541.500 5.674 1.800 0.000 1.000
+C6H12OH-3 2 541.500 5.674 1.800 0.000 1.000
+O2C6H12OH-1 2 561.000 6.317 1.700 0.000 1.000
+O2C6H12OH-2 2 561.000 6.317 1.700 0.000 1.000
+O2C6H12OH-3 2 561.000 6.317 1.700 0.000 1.000
+NC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+NC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-1 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-3 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-4 2 476.000 5.778 2.600 0.000 1.000
+AC3H5CHO 2 464.200 5.009 2.600 0.000 1.000
+AC3H5CO 2 464.200 5.009 2.600 0.000 1.000
+C2H3CHCHO 2 464.200 5.009 2.600 0.000 1.000
+NC3H7COCH3 2 477.000 5.735 2.500 0.000 1.000
+NC3H7COCH2 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-1 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-2 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-3 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H5 2 476.700 5.714 2.700 0.000 1.000
+C2H5COC2H4P 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H4S 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H3 2 476.700 5.714 2.700 0.000 1.000
+PC2H4COC2H3 2 476.700 5.714 2.700 0.000 1.000
+SC2H4COC2H3 2 476.700 5.714 2.700 0.000 1.000
+NC7H16 2 459.600 6.253 0.000 0.000 1.000
+C7H15-1 2 459.600 6.253 0.000 0.000 1.000
+C7H15-2 2 459.600 6.253 0.000 0.000 1.000
+C7H15-3 2 459.600 6.253 0.000 0.000 1.000
+C7H15-4 2 459.600 6.253 0.000 0.000 1.000
+C7H14-1 2 457.800 6.173 0.300 0.000 1.000
+C7H14-2 2 457.800 6.173 0.300 0.000 1.000
+C7H14-3 2 457.800 6.173 0.300 0.000 1.000
+C7H131-3 2 457.800 6.173 0.300 0.000 1.000
+C7H131-4 2 457.800 6.173 0.300 0.000 1.000
+C7H131-5 2 457.800 6.173 0.300 0.000 1.000
+C7H131-6 2 457.800 6.173 0.300 0.000 1.000
+C7H131-7 2 457.800 6.173 0.300 0.000 1.000
+C7H132-4 2 457.800 6.173 0.300 0.000 1.000
+C7H132-5 2 457.800 6.173 0.300 0.000 1.000
+C7H132-6 2 457.800 6.173 0.300 0.000 1.000
+C7H132-7 2 457.800 6.173 0.300 0.000 1.000
+C7H133-1 2 457.800 6.173 0.300 0.000 1.000
+C7H133-5 2 457.800 6.173 0.300 0.000 1.000
+C7H133-6 2 457.800 6.173 0.300 0.000 1.000
+C7H133-7 2 457.800 6.173 0.300 0.000 1.000
+C7H13O1-3 2 561.000 6.317 1.700 0.000 1.000
+C7H13O2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H13O3-5 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-4 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-6 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-6 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-7 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-6O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-6O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-7O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14O1-2 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-3 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-5 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-3 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-5 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-6 2 511.500 6.297 0.000 0.000 1.000
+C7H14O3-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O3-5 2 511.500 6.297 0.000 0.000 1.000
+NC7KET12 2 581.300 6.506 2.000 0.000 1.000
+NC7KET13 2 581.300 6.506 2.000 0.000 1.000
+NC7KET14 2 581.300 6.506 2.000 0.000 1.000
+NC7KET15 2 581.300 6.506 2.000 0.000 1.000
+NC7KET21 2 581.300 6.506 2.000 0.000 1.000
+NC7KET23 2 581.300 6.506 2.000 0.000 1.000
+NC7KET24 2 581.300 6.506 2.000 0.000 1.000
+NC7KET25 2 581.300 6.506 2.000 0.000 1.000
+NC7KET26 2 581.300 6.506 2.000 0.000 1.000
+NC7KET31 2 581.300 6.506 2.000 0.000 1.000
+NC7KET32 2 581.300 6.506 2.000 0.000 1.000
+NC7KET34 2 581.300 6.506 2.000 0.000 1.000
+NC7KET35 2 581.300 6.506 2.000 0.000 1.000
+NC7KET36 2 581.300 6.506 2.000 0.000 1.000
+NC7KET37 2 581.300 6.506 2.000 0.000 1.000
+NC7KET41 2 581.300 6.506 2.000 0.000 1.000
+NC7KET42 2 581.300 6.506 2.000 0.000 1.000
+NC7KET43 2 581.300 6.506 2.000 0.000 1.000
+C7H14OH-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OH-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OH-3 2 561.000 6.317 1.700 0.000 1.000
+O2C7H14OH-1 2 677.149 6.436 0.000 0.000 0.000
+O2C7H14OH-2 2 677.149 6.436 0.000 0.000 0.000
+O2C7H14OH-3 2 677.149 6.436 0.000 0.000 0.000
+NC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+NC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO-1 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-2 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-3 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-4 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-5 2 534.323 5.625 0.000 0.000 0.000
+C4H7CHO1-4 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-4 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-43 2 482.331 5.306 0.000 0.000 0.000
+C4H6CHO1-44 2 482.331 5.306 0.000 0.000 0.000
+NC4H9COCH3 2 537.467 5.643 0.000 0.000 0.000
+NC4H9COCH2 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-1 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-2 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-3 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-4 2 534.323 5.625 0.000 0.000 0.000
+C4H7OOH1-4 2 523.200 5.664 1.700 0.000 1.000
+C4H7O1-4 2 476.000 5.778 2.600 0.000 1.000
+C5H9OOH1-4 2 543.585 5.680 0.000 0.000 0.000
+C5H9O1-4 2 489.084 5.348 0.000 0.000 0.000
+C5H9OOH1-5 2 543.585 5.680 0.000 0.000 0.000
+C5H9O1-5 2 489.084 5.348 0.000 0.000 0.000
+C6H11OOH1-4 2 561.000 6.317 1.700 0.000 1.000
+C6H11O1-4 2 541.500 5.674 1.800 0.000 1.000
+C6H11OOH1-5 2 561.000 6.317 1.700 0.000 1.000
+C6H11O1-5 2 541.500 5.674 1.800 0.000 1.000
+C5H91-1 2 396.800 5.458 0.000 0.000 1.000
+C4H7CHO1-1 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-1 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-14 2 482.331 5.306 0.000 0.000 0.000
+C4H6CHO1-13 2 482.331 5.306 0.000 0.000 0.000
+NC3H7COC2H5 2 537.467 5.643 0.000 0.000 0.000
+C3H6COC2H5-1 2 534.323 5.625 0.000 0.000 0.000
+C3H6COC2H5-2 2 534.323 5.625 0.000 0.000 0.000
+C3H6COC2H5-3 2 534.323 5.625 0.000 0.000 0.000
+NC3H7COC2H4P 2 534.323 5.625 0.000 0.000 0.000
+NC3H7COC2H4S 2 534.323 5.625 0.000 0.000 0.000
+CHCHCHO 2 443.200 4.120 0.000 0.000 1.000
+C6H101-3 2 426.300 5.510 0.000 0.000 1.000
+C6H101-4 2 426.300 5.510 0.000 0.000 1.000
+C6H101-5 2 426.300 5.510 0.000 0.000 1.000
+C6H102-4 2 426.300 5.510 0.000 0.000 1.000
+ETES1 2 537.467 5.643 0.000 0.000 0.000
+MVOX 2 537.467 5.643 0.000 0.000 0.000
+VTHF 2 537.467 5.643 0.000 0.000 0.000
+EDHF 2 537.467 5.643 0.000 0.000 0.000
+C6H111O2H-4 2 591.585 5.960 0.000 0.000 0.000
+C6H111O2H-5 2 591.585 5.960 0.000 0.000 0.000
+C6H111O2H-6 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-4 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-5 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-6 2 591.585 5.960 0.000 0.000 0.000
+C6H113O2H-2 2 591.585 5.960 0.000 0.000 0.000
+C6H113O2H-1 2 591.585 5.960 0.000 0.000 0.000
+NC6D1KET34 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET35 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET36 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET43 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET45 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET46 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET53 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET54 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET56 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET63 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET64 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET65 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET45 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET46 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET54 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET56 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET64 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET65 2 467.000 6.548 1.800 0.000 1.000
+NC6D3KET12 2 467.000 6.548 1.800 0.000 1.000
+NC6D3KET21 2 467.000 6.548 1.800 0.000 1.000
+C6H112O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H113O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H113O2-2 2 588.653 5.943 0.000 0.000 0.000
+C6H101OOH3-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH3-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH3-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-4 2 591.585 5.960 0.000 0.000 0.000
+C6H103OOH1-2 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-5 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-6 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH5-6 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH6-4 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH6-5 2 591.585 5.960 0.000 0.000 0.000
+C6H103OOH2-1 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH4-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH6-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH6-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H103OOH2-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H103OOH1-2O2 2 677.149 6.436 0.000 0.000 0.000
+C2H3COC3H7 2 541.500 5.674 1.800 0.000 1.000
+C5H81-4 2 386.200 5.489 0.400 0.000 1.000
+C5H91O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H91O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H91O2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-4 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-3 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-4 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-3 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-4O2 2 523.200 5.664 1.700 0.000 1.000
+NC5D1KET34 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET35 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET43 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET45 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET53 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET54 2 494.800 6.174 1.800 0.000 1.000
+CY3C5H8O 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH4-5 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH5-4 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH4-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH5-4O2 2 523.200 5.664 1.700 0.000 1.000
+NC5D2KET45 2 494.800 6.174 1.800 0.000 1.000
+NC5D2KET54 2 494.800 6.174 1.800 0.000 1.000
+IC5H12 2 382.100 5.548 0.000 0.000 1.000
+AC5H11 2 440.735 5.041 0.000 0.000 0.000
+BC5H11 2 440.735 5.041 0.000 0.000 0.000
+CC5H11 2 440.735 5.041 0.000 0.000 0.000
+DC5H11 2 440.735 5.041 0.000 0.000 0.000
+AC5H10 2 386.600 5.532 0.500 0.000 1.000
+BC5H10 2 391.400 5.550 0.000 0.000 1.000
+CC5H10 2 437.102 5.017 0.000 0.000 0.000
+AC5H9-A2 2 386.600 5.532 0.500 0.000 1.000
+AC5H9-C 2 386.600 5.532 0.500 0.000 1.000
+AC5H9-D 2 386.600 5.532 0.500 0.000 1.000
+CC5H9-A 2 386.600 5.532 0.500 0.000 1.000
+CC5H9-B 2 386.600 5.532 0.500 0.000 1.000
+AC5H9O-A2 2 430.100 5.833 0.000 0.000 1.000
+AC5H9O-C 2 430.100 5.833 0.000 0.000 1.000
+CC5H9O-B 2 397.900 5.767 0.000 0.000 1.000
+AC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+BC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+CC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+DC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+AC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+BC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+CC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+DC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+AC5H11O 2 523.200 5.664 1.700 0.000 1.000
+BC5H11O 2 523.200 5.664 1.700 0.000 1.000
+CC5H11O 2 523.200 5.664 1.700 0.000 1.000
+DC5H11O 2 523.200 5.664 1.700 0.000 1.000
+AC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+A-AC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-BC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-CC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+B-CC5H10O 2 492.434 5.369 0.000 0.000 0.000
+B-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+C-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+AC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+IC5KETAA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAC 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAD 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCD 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDC 2 591.463 5.959 0.000 0.000 0.000
+AC5H10OH 2 430.100 5.833 0.000 0.000 1.000
+BC5H10OH 2 397.900 5.767 0.000 0.000 1.000
+CC5H10OH 2 397.900 5.767 0.000 0.000 1.000
+AO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+BO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+CO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+CH3CHCHO 2 387.860 4.687 0.000 0.000 0.000
+IC3H5COCH3 2 485.716 5.327 0.000 0.000 0.000
+IC3H5COCH2 2 482.331 5.306 0.000 0.000 0.000
+AC3H4COCH3 2 482.331 5.306 0.000 0.000 0.000
+IC6H14 2 422.500 5.870 0.000 0.000 1.000
+AC6H13 2 422.500 5.870 0.000 0.000 1.000
+BC6H13 2 422.500 5.870 0.000 0.000 1.000
+CC6H13 2 422.500 5.870 0.000 0.000 1.000
+DC6H13 2 422.500 5.870 0.000 0.000 1.000
+EC6H13 2 422.500 5.870 0.000 0.000 1.000
+AC6H12 2 430.100 5.833 0.000 0.000 1.000
+BC6H12 2 430.100 5.833 0.000 0.000 1.000
+CC6H12 2 430.100 5.833 0.000 0.000 1.000
+DC6H12 2 414.400 5.872 0.000 0.000 1.000
+AC6H11-A2 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-C 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-E 2 430.100 5.833 0.000 0.000 1.000
+BC6H11-E 2 430.100 5.833 0.000 0.000 1.000
+CC6H11-A 2 430.100 5.833 0.000 0.000 1.000
+CC6H11-B 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-A 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-B 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-C 2 430.100 5.833 0.000 0.000 1.000
+AC6H11O-C 2 437.300 6.168 0.000 0.000 1.000
+CC6H11O-B 2 541.500 5.674 1.800 0.000 1.000
+DC6H11O-C 2 437.300 6.168 0.000 0.000 1.000
+AC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+DC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+AC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+DC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+AC6H13O 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O 2 437.300 6.168 0.000 0.000 1.000
+DC6H13O 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+A-AC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-BC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-CC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-CC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+C-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+C-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+D-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAD 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCD 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETED 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+BC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+CC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+DC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+AO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+BO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+CO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+DO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+NC4H9CHO-2 2 476.000 5.778 2.600 0.000 1.000
+NC4H9CO-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO3-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO4-2 2 476.000 5.778 2.600 0.000 1.000
+IC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+IC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+IC3H6CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+TC3H6CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H7CHCHO 2 476.000 5.778 2.600 0.000 1.000
+IC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+AC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+BC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+CC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+DC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+C4H7CHO2-1 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO2-1 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-11 2 476.000 5.778 2.600 0.000 1.000
+NC5H11CHO-2 2 498.600 6.009 2.000 0.000 1.000
+NC5H11CO-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO1-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO2-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO3-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO4-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO5-2 2 498.600 6.009 2.000 0.000 1.000
+IC4H9COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC4H9COCH2 2 503.700 6.020 2.000 0.000 1.000
+IC3H6CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC3H7CHCOCH3 2 503.700 6.020 2.000 0.000 1.000
+TC3H6CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC3H7COC2H5 2 537.467 5.643 0.000 0.000 0.000
+IC3H6COC2H5 2 534.323 5.625 0.000 0.000 0.000
+TC3H6COC2H5 2 534.323 5.625 0.000 0.000 0.000
+IC3H7COC2H4P 2 534.323 5.625 0.000 0.000 0.000
+IC3H7COC2H4S 2 534.323 5.625 0.000 0.000 0.000
+IC3H5COC2H5 2 531.165 5.606 0.000 0.000 0.000
+AC3H4COC2H5 2 527.994 5.587 0.000 0.000 0.000
+IC3H5COC2H4P 2 527.994 5.587 0.000 0.000 0.000
+IC3H5COC2H4S 2 527.994 5.587 0.000 0.000 0.000
+IC3H7COCH3 2 469.000 5.632 2.800 0.000 1.000
+IC3H7COCH2 2 489.084 5.348 0.000 0.000 0.000
+IC3H6COCH3 2 489.084 5.348 0.000 0.000 0.000
+TC3H6COCH3 2 489.084 5.348 0.000 0.000 0.000
+C5H91-2 2 386.200 5.489 0.400 0.000 1.000
+IC5H8 2 382.100 5.548 0.000 0.000 1.000
+IC5H7 2 382.100 5.548 0.000 0.000 1.000
+IC5H7O 2 430.100 5.833 0.000 0.000 1.000
+C4H5 2 350.400 4.984 0.000 0.000 1.000
+IC4H7-I1 2 380.022 4.633 0.000 0.000 0.000
+C7H16-24 2 437.300 6.168 0.000 0.000 1.000
+XC7H15 2 437.300 6.168 0.000 0.000 1.000
+YC7H15 2 437.300 6.168 0.000 0.000 1.000
+ZC7H15 2 437.300 6.168 0.000 0.000 1.000
+XC7H14 2 439.200 6.151 0.000 0.000 1.000
+YC7H14 2 439.200 6.151 0.000 0.000 1.000
+XC7H13-X1 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-Z 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-X2 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-Y2 2 541.500 5.674 1.800 0.000 1.000
+YC7H13-Y2 2 541.500 5.674 1.800 0.000 1.000
+YC7H13-X2 2 541.500 5.674 1.800 0.000 1.000
+XC7H13O-Z 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-Y2 2 458.500 6.414 0.000 0.000 1.000
+XC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+XC7H15O 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y1 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Y2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-X 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-Y 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X1O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X2O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y1O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y2O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-ZO2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X1O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X2O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Y2O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-ZO2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-XO2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-YO2 2 561.000 6.317 1.700 0.000 1.000
+X-X1C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-X2C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-Y1C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-Y2C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-ZC7H14O 2 561.000 6.317 1.700 0.000 1.000
+Y-YC7H14O 2 561.000 6.317 1.700 0.000 1.000
+Y-ZC7H14O 2 561.000 6.317 1.700 0.000 1.000
+C7KET24XX1 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XY1 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XZ 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XY2 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XX2 2 435.900 5.807 0.000 0.000 1.000
+C7KET24ZX 2 435.900 5.807 0.000 0.000 1.000
+C7KET24ZY 2 435.900 5.807 0.000 0.000 1.000
+XC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+YC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+XO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+YO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+ACC6H10 2 430.100 5.833 0.000 0.000 1.000
+ACC6H9-A 2 430.100 5.833 0.000 0.000 1.000
+ACC6H9-D 2 430.100 5.833 0.000 0.000 1.000
+NEOC5H12 2 444.347 5.064 0.000 0.000 0.000
+NEOC5H11 2 440.735 5.041 0.000 0.000 0.000
+NEOC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+NEOC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+NEOC5H11O 2 495.769 5.390 0.000 0.000 0.000
+NEOC5H10OOH 2 546.691 5.698 0.000 0.000 0.000
+NEO-C5H10O 2 492.434 5.369 0.000 0.000 0.000
+NEOC5H10OOH-O2 2 639.455 6.230 0.000 0.000 0.000
+NEOC5H9Q2 2 639.455 6.230 0.000 0.000 0.000
+NEOC5H9Q2-N 2 639.455 6.230 0.000 0.000 0.000
+NEOC5KET 2 591.463 5.959 0.000 0.000 0.000
+NEOC5KETOX 2 540.467 5.661 0.000 0.000 0.000
+NEOC5KEJOL 2 540.467 5.661 0.000 0.000 0.000
+IC4H6Q2-II 2 597.176 5.992 0.000 0.000 0.000
+NEOC6H14 2 406.100 5.842 0.000 0.000 1.000
+FC6H13 2 406.100 5.842 0.000 0.000 1.000
+GC6H13 2 406.100 5.842 0.000 0.000 1.000
+HC6H13 2 406.100 5.842 0.000 0.000 1.000
+NEOC6H12 2 397.900 5.767 0.000 0.000 1.000
+NEOC6H11 2 397.900 5.767 0.000 0.000 1.000
+FC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+FC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+FC6H13O 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-G 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-H 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-H 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-G 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-GO2 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-HO2 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-HO2 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-GO2 2 541.500 5.674 1.800 0.000 1.000
+F-FC6H12O 2 541.500 5.674 1.800 0.000 1.000
+F-GC6H12O 2 541.500 5.674 1.800 0.000 1.000
+F-HC6H12O 2 541.500 5.674 1.800 0.000 1.000
+G-HC6H12O 2 541.500 5.674 1.800 0.000 1.000
+NEOC6KETFF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETFG 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETFH 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETGF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETGH 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETHF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETHG 2 397.900 5.767 0.000 0.000 1.000
+NEOC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+NEOO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+TC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+TC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+NEOC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+NEOC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+TC4H9CHCHO 2 498.600 6.009 2.000 0.000 1.000
+TC4H8CH2CHO 2 498.600 6.009 2.000 0.000 1.000
+IC4H7CHO 2 476.000 5.778 2.600 0.000 1.000
+IC4H7CO 2 476.000 5.778 2.600 0.000 1.000
+AC3H4CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H5CHCHO 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CHO-B 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CO-B 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BA 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BC 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BD 2 498.600 6.009 2.000 0.000 1.000
+C4H7CHO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-23 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-24 2 476.000 5.778 2.600 0.000 1.000
+C4H7CHO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-21 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-24 2 476.000 5.778 2.600 0.000 1.000
+CH2CCHCH3 2 357.000 4.720 0.000 0.000 1.000
+TC4H9COCH3 2 503.700 6.020 2.000 0.000 1.000
+TC4H9COCH2 2 503.700 6.020 2.000 0.000 1.000
+TC4H8COCH3 2 503.700 6.020 2.000 0.000 1.000
+CH2CCHO 2 428.800 4.958 2.900 0.000 1.000
+IC3H6CHCHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H6CHCO 2 476.000 5.778 2.600 0.000 1.000
+AC3H5CHCHO 2 476.000 5.778 2.600 0.000 1.000
+AC5H9-A1 2 386.600 5.532 0.500 0.000 1.000
+NEOC7H16 2 437.300 6.168 0.000 0.000 1.000
+NC7H15 2 437.300 6.168 0.000 0.000 1.000
+OC7H15 2 437.300 6.168 0.000 0.000 1.000
+PC7H15 2 437.300 6.168 0.000 0.000 1.000
+QC7H15 2 437.300 6.168 0.000 0.000 1.000
+OC7H14 2 439.200 6.151 0.000 0.000 1.000
+PC7H14 2 439.200 6.151 0.000 0.000 1.000
+OC7H13-N 2 437.300 6.168 0.000 0.000 1.000
+PC7H13-N 2 437.300 6.168 0.000 0.000 1.000
+PC7H13-O 2 437.300 6.168 0.000 0.000 1.000
+PC7H13O-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-N2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-N2O2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+N-NC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-OC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-PC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+O-PC7H14O 2 561.000 6.317 1.700 0.000 1.000
+O-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+P-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNP 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETON 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETOP 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETOQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQP 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+PC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+OO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+PO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+IC8H18 2 458.500 6.414 0.000 0.000 1.000
+AC8H17 2 458.500 6.414 0.000 0.000 1.000
+BC8H17 2 458.500 6.414 0.000 0.000 1.000
+CC8H17 2 458.500 6.414 0.000 0.000 1.000
+DC8H17 2 458.500 6.414 0.000 0.000 1.000
+IC8H16 2 485.600 6.440 0.300 0.000 1.000
+JC8H16 2 485.600 6.440 0.300 0.000 1.000
+IC8H15 2 485.600 6.440 0.300 0.000 1.000
+AC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+AC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+AC8H17O 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAA 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAB 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAC 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERBC 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERBD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERCD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERDD 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAB 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAD 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBD 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDB 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDD 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-B 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OH-C 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-BO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16O-BO2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-D 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OH-C 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OH-CO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16O-CO2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16O-DO2H 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OH-CO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16O-CO2H 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CHO-B 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CO-B 2 581.300 6.506 2.000 0.000 1.000
+AC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+CC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+DC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+EC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CHO-D 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CO-D 2 581.300 6.506 2.000 0.000 1.000
+AC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+BC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+CC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+DC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+EC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+IC3H7COC3H7-I 2 561.000 6.317 1.700 0.000 1.000
+IC3H7COC3H6-I 2 561.000 6.317 1.700 0.000 1.000
+IC3H7COC3H6-T 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H5 2 561.000 6.317 1.700 0.000 1.000
+TC4H8COC2H5 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H4S 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H4P 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H11COCH3 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H10COCH3 2 561.000 6.317 1.700 0.000 1.000
+TC4H9CHCOCH3 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H11COCH2 2 561.000 6.317 1.700 0.000 1.000
+NEOC6H13CHO 2 561.000 6.317 1.700 0.000 1.000
+NEOC6H13CO 2 561.000 6.317 1.700 0.000 1.000
+FC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+GC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+HC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+IC4H7COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC4H7COCH2 2 503.700 6.020 2.000 0.000 1.000
+IC3H5CHCOCH3 2 503.700 6.020 2.000 0.000 1.000
+AC3H4CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+XC7H13OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+XC7H13O-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H13OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-X1 2 561.000 6.317 1.700 0.000 1.000
+OC7H13OOH-N 2 561.000 6.317 1.700 0.000 1.000
+OC7H13O-N 2 561.000 6.317 1.700 0.000 1.000
+XC7H13OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+PC7H13OOH-O 2 561.000 6.317 1.700 0.000 1.000
+OC7H13OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+OC7H13O-Q 2 561.000 6.317 1.700 0.000 1.000
+XC7H13OOH-Y2 2 437.300 6.168 0.000 0.000 1.000
+XC7H13O-Y2 2 437.300 6.168 0.000 0.000 1.000
+YC7H13OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-X2 2 561.000 6.317 1.700 0.000 1.000
+CC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+IC3H6CHCOCH3 2 531.165 5.606 0.000 0.000 0.000
+AC3H5CHCOCH3 2 527.994 5.587 0.000 0.000 0.000
+IC3H6CHCOCH2 2 527.994 5.587 0.000 0.000 0.000
+C6H5C2H 2 534.300 5.710 0.770 0.000 1.000
+C4H2 1 357.000 4.720 0.000 0.000 1.000
+NC4H3 2 350.400 4.984 0.000 0.000 1.000
+C7H6 2 495.300 5.680 0.430 12.300 1.000
+C6H5CH3 2 495.300 5.680 0.430 12.300 1.000
+C6H5CH2J 2 495.300 5.680 0.430 12.300 1.000
+OC6H4CH3 2 495.300 5.680 0.430 12.300 1.000
+HOC6H4CH3 2 495.300 5.680 0.430 12.300 1.000
+OC6H4O 2 464.800 5.290 0.000 10.320 1.000
+HOC6H4CH2 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CH2OO 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CH2O 2 546.200 6.000 0.130 15.000 1.000
+RODC6JDO 2 546.200 6.000 0.130 15.000 1.000
+OXCCXCCJXO 2 426.300 5.510 0.000 0.000 1.000
+BICPD 2 630.400 6.180 0.000 16.500 1.000
+C6JYOO 2 546.200 6.000 0.130 15.000 1.000
+CY13PD 2 546.200 6.000 0.130 15.000 1.000
+C6H5OH 2 450.000 5.500 0.000 0.000 1.000
+STYR 2 546.200 6.000 0.130 15.000 1.000
+DICYPD 2 630.400 6.180 0.000 16.500 1.000
+CYC5H9 2 400.000 5.200 0.000 0.000 1.000
+BICPDJ 2 630.400 6.180 0.000 16.500 1.000
+CXCC(C#C)XC 2 630.400 6.180 0.000 16.500 1.000
+CYPDONE 2 484.000 5.100 0.000 0.000 0.000
+HCOCJXO 2 386.200 5.489 0.400 0.000 1.000
+CYC5H5OJ 2 484.000 5.100 0.000 0.000 0.000
+CYC5H5OH 2 484.000 5.100 0.000 0.000 0.000
+CYC5H4OH 2 484.000 5.100 0.000 0.000 0.000
+CPDJONE 2 484.000 5.100 0.000 0.000 0.000
+CXCCXCXO 2 561.000 6.317 1.700 0.000 1.000
+CJXCCXCXO 2 561.000 6.317 1.700 0.000 1.000
+CXCCCJXO 2 561.000 6.317 1.700 0.000 1.000
+CXCCCO2J 2 561.000 6.317 1.700 0.000 1.000
+OXCCXCCXO 2 561.000 6.317 1.700 0.000 1.000
+OXCCXCCJCXO 2 561.000 6.317 1.700 0.000 1.000
+CXOCXCCJ 2 561.000 6.317 1.700 0.000 1.000
+C4H4 2 350.400 4.984 0.000 0.000 1.000
+NC4H5 2 350.400 4.984 0.000 0.000 1.000
+C6H5CH2OOJ 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2OOH 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2OJ 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2OH 2 495.300 5.680 0.430 12.300 1.000
+C6H5CHOH 2 495.300 5.680 0.430 12.300 1.000
+C6H5CHO 2 495.300 5.680 0.430 12.300 1.000
+HOC6H4CH2OOH 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CHO 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CO 2 546.200 6.000 0.130 15.000 1.000
+C6H4OH 2 495.300 5.680 0.430 12.300 1.000
+C6H5O2 2 495.300 5.680 0.430 12.300 1.000
+C6H6 2 468.500 5.230 0.000 10.300 1.000
+CY13PD5J 2 464.800 5.290 0.000 10.320 1.000
+C6H5OJ 2 495.300 5.680 0.430 12.300 1.000
+FULVENE 2 464.800 5.290 0.000 10.320 1.000
+CYC5H8 2 400.000 5.200 0.000 0.000 1.000
+CH2CY24PD 2 484.000 5.100 0.000 0.000 0.000
+CYC6H7 2 468.500 5.230 0.000 0.000 1.000
+CXCCXCCJ 2 386.200 5.489 0.400 0.000 1.000
+LINC6H7 2 485.857 5.328 0.000 0.000 0.000
+CXCCXCC 2 386.200 5.489 0.400 0.000 1.000
+CH3CY24PD 2 484.000 5.100 0.000 0.000 0.000
+CYC5H7U1 2 484.000 5.100 0.000 0.000 0.000
+CXCCJCXC 2 386.200 5.489 0.400 0.000 1.000
+OXCJCXCCXC 2 485.857 5.328 0.000 0.000 0.000
+CJXCCXO 2 386.200 5.489 0.400 0.000 1.000
+HCOHCO 2 386.200 5.489 0.400 0.000 1.000
+CPDOOH 2 484.000 5.100 0.000 0.000 0.000
+OXCCXCCXCJ 2 561.000 6.317 1.700 0.000 1.000
+CXOCCCJCXO 2 561.000 6.317 1.700 0.000 1.000
+CXOCCCJXO 2 561.000 6.317 1.700 0.000 1.000
+CXOCCCXO 2 561.000 6.317 1.700 0.000 1.000
+C14H14 2 676.500 6.310 0.000 20.000 1.000
+C14H13 2 676.500 6.310 0.000 20.000 1.000
+STYLBEN 2 676.500 6.310 0.000 20.000 1.000
+XYLENE 2 546.200 6.000 0.130 15.000 1.000
+IND 2 630.400 6.180 0.000 16.500 1.000
+NAPH 2 630.400 6.180 0.000 16.500 1.000
+CXOCCXO 2 386.200 5.489 0.400 0.000 1.000
+CPDCXC 2 484.000 5.100 0.000 0.000 0.000
+DHCO2J 2 386.200 5.489 0.400 0.000 1.000
+FULVENYL 2 464.800 5.290 0.000 10.320 1.000
+C6H5 2 412.300 5.349 0.000 0.000 1.000
+CPDJCH3 2 464.800 5.290 0.000 10.320 1.000
+C6H4CH3 2 495.300 5.680 0.000 0.000 1.000
+C6H5CJO 2 495.300 5.680 0.430 12.300 1.000
+YOC6JDO 2 495.300 5.680 0.430 12.300 1.000
+CXOCJCXO 2 386.200 5.489 0.400 0.000 1.000
+C6H5C2H5 2 523.600 5.960 0.000 0.000 1.000
+C12H10 2 676.500 6.310 0.000 20.000 1.000
+PHCCHPH 2 676.500 6.310 0.000 20.000 1.000
+O2C6H4CH3 2 546.200 6.000 0.130 15.000 1.000
+RODC6J(C)DO 2 546.200 6.000 0.130 15.000 1.000
+OCCXCCXCJC 2 437.300 6.168 0.000 0.000 1.000
+C6H4 2 412.300 5.349 0.000 0.000 1.000
+CJCXCC#C 2 676.500 6.310 0.000 20.000 1.000
+CXCCXCCOH 2 676.500 6.310 0.000 20.000 1.000
+OC6H4CH2 2 676.500 6.310 0.000 20.000 1.000
+CR1 2 676.500 6.310 0.000 20.000 1.000
+CR2 2 676.500 6.310 0.000 20.000 1.000
+CR3 2 772.000 6.960 0.000 38.800 1.000
+CR4 2 837.500 7.280 0.000 0.000 0.000
+CR5 2 834.900 7.240 0.000 45.000 1.000
+C10H10 2 630.400 6.180 0.000 16.500 1.000
+C10H9 2 630.400 6.180 0.000 16.500 1.000
+C14H13OO 2 676.500 6.310 0.000 20.000 1.000
+C6H5C2H2 2 546.200 6.000 0.130 15.000 1.000
+PHENA 2 772.000 6.960 0.000 38.800 1.000
+C6H5C2H4P 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H4S 2 523.600 5.960 0.000 0.000 1.000
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! AA TRANSPORT !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+C6H5CH2CH2OO 2 546.200 6.000 0.130 15.000 1.000
+C6H5CHOOCH3 2 546.200 6.000 0.130 15.000 1.000
+C3H2(S) 2 209.000 4.100 0.000 0.000 1.000
+O-C6H4 2 412.300 5.349 0.000 0.000 1.000
+C14H12OOH 2 783.800 6.640 0.000 0.000 1.000
+C14H13O 2 783.800 6.640 0.000 0.000 1.000
+C14H13OOH 2 783.800 6.640 0.000 0.000 1.000
+C14H12O2H-1O2 2 783.800 6.640 0.000 0.000 1.000
+C14H11O-1O2H 2 783.800 6.640 0.000 0.000 1.000
+C6H5CCH2 2 546.200 6.000 0.000 0.000 1.000
+NAPH- 2 630.400 6.180 0.000 16.500 1.000
+NAPH* 2 630.400 6.180 0.000 16.500 1.000
+NAPHO 2 630.400 6.180 0.000 16.500 1.000
+C9H7 2 630.400 6.180 0.000 16.500 1.000
+C9H6O 2 625.000 6.150 0.000 0.000 1.000
+BIN1A 2 630.400 6.180 0.000 16.500 1.000
+FLUORENE 2 712.600 6.890 0.000 0.000 1.000
+C14H10 2 772.000 6.960 0.000 0.000 1.000
+C16H10 2 630.400 6.180 0.000 16.500 1.000
+C6H4C2H3 2 546.200 6.000 0.000 0.000 1.000
+C6H5CHCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H9 2 546.200 6.000 0.130 15.000 1.000
+C6H5C4H7-2 2 546.200 6.000 0.130 15.000 1.000
+C6H5C4H7-3 2 546.200 6.000 0.130 15.000 1.000
+C6H5C4H7-1 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2HCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2CO 2 523.600 5.960 0.000 0.000 1.000
+C6H5COC2H4 2 523.600 5.960 0.000 0.000 1.000
+C6H5COC2H3 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2O2H 2 523.600 5.960 0.000 0.000 1.000
+C6H5COCH2CH2O2 2 523.600 5.960 0.000 0.000 1.000
+C6H5COCH2CH2O 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2CHCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5COCH2 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2O2 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2O 2 523.600 5.960 0.000 0.000 1.000
+C6H5CCO 2 588.200 5.940 0.000 0.000 1.000
+C6H5COCH2CH2O2H 2 523.600 5.960 0.000 0.000 1.000
+OH* 1 80.000 2.750 0.000 0.000 0.000
+N2 1 97.530 3.621 0.000 1.760 4.000
+HCOH 2 498.000 3.590 0.000 0.000 1.000
+CH* 1 80.000 2.750 0.000 0.000 0.000
+C2H3OH 2 470.600 4.410 0.000 0.000 1.500
+C2H2OH 2 224.700 4.162 0.000 0.000 1.000
+O2CH2CHO 2 275.049 5.428 0.000 0.000 1.000
+HO2CH2CO 2 279.007 5.505 1.300 0.000 1.000
+CC3H4 1 252.000 4.760 0.000 0.000 1.000
+H2CC 2 209.000 4.100 0.000 0.000 2.500
+C4H3-I 2 357.000 5.180 0.000 0.000 1.000
+C4H6O25 1 357.000 5.180 0.000 0.000 1.000
+C2H3CHOCH2 1 357.000 5.180 0.000 0.000 1.000
+C4H5-2 2 357.000 5.180 0.000 0.000 1.000
+C4H6-2 2 357.000 5.180 0.000 0.000 1.000
+C4H6O23 1 357.000 5.180 0.000 0.000 1.000
+C4H4O 1 357.000 5.180 0.000 0.000 1.000
+H2C4O 2 357.000 5.180 0.000 0.000 1.000
+C6H2 1 408.000 5.200 0.000 0.000 1.000
+C6H3 2 357.000 5.180 0.000 0.000 1.000
+L-C6H4 2 412.300 5.349 0.000 0.000 1.000
+C-C6H4 2 464.800 5.290 0.000 10.320 0.000
+O-C6H4O2 2 450.000 5.500 0.000 0.000 1.000
+P-C6H3O2 2 450.000 5.500 0.000 0.000 1.000
+C6H5OOH 2 464.800 5.290 0.000 10.320 0.000
+OC6H4OH 2 621.100 5.640 0.000 0.000 1.000
+P-OC6H5OJ 2 450.000 5.500 0.000 0.000 1.000
+C5H6-L 2 408.000 5.200 0.000 0.000 1.000
+C*CCJC*COH 2 523.200 5.664 1.700 0.000 1.000
+HOCO 2 498.000 3.590 0.000 0.000 2.000
+HOC*CC*O 2 435.200 4.662 2.700 0.000 1.000
+HOC*CCJ*O 2 435.200 4.662 2.700 0.000 1.000
+PBZ 2 546.200 6.000 0.130 15.000 1.000
+PBZJA 2 523.600 5.960 0.000 0.000 1.000
+PBZJB 2 523.600 5.960 0.000 0.000 1.000
+PBZJC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C3H4 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H4HCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H4CO 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H2HCO 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C3H5OHA 2 523.600 5.960 0.000 0.000 1.000
+AC6H5C3H5OHB 2 523.600 5.960 0.000 0.000 1.000
+CC6H5C3H5OHB 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C3H5OHC 2 523.600 5.960 0.000 0.000 1.000
+PBZOHAQJB 2 523.600 5.960 0.000 0.000 1.000
+PBZOHBQJA 2 523.600 5.960 0.000 0.000 1.000
+PBZOHBQJC 2 523.600 5.960 0.000 0.000 1.000
+PBZOHCQJB 2 523.600 5.960 0.000 0.000 1.000
+COC6H5C3H4-1 2 523.600 5.960 0.000 0.000 1.000
+AOC6H5C3H4-2 2 523.600 5.960 0.000 0.000 1.000
+CH3C6H4C2H3 2 523.600 5.960 0.000 0.000 1.000
+PBZAOO 2 523.600 5.960 0.000 0.000 1.000
+PBZBOO 2 523.600 5.960 0.000 0.000 1.000
+PBZCOO 2 523.600 5.960 0.000 0.000 1.000
+CYCLO4 2 523.600 5.960 0.000 0.000 1.000
+CYC3AB 2 523.600 5.960 0.000 0.000 1.000
+CYC3CB 2 523.600 5.960 0.000 0.000 1.000
+PBOOHA-B 2 523.600 5.960 0.000 0.000 1.000
+PBOOHAOOB 2 523.600 5.960 0.000 0.000 1.000
+PBKETAB 2 523.600 5.960 0.000 0.000 1.000
+PBOOHA-C 2 523.600 5.960 0.000 0.000 1.000
+PBOOHAOOC 2 523.600 5.960 0.000 0.000 1.000
+PBKETAC 2 523.600 5.960 0.000 0.000 1.000
+PBOOHB-A 2 523.600 5.960 0.000 0.000 1.000
+PBOOHBOOA 2 523.600 5.960 0.000 0.000 1.000
+PBKETBA 2 523.600 5.960 0.000 0.000 1.000
+PBOOHB-C 2 523.600 5.960 0.000 0.000 1.000
+PBOOHBOOC 2 523.600 5.960 0.000 0.000 1.000
+PBKETBC 2 523.600 5.960 0.000 0.000 1.000
+PBOOHC-A 2 523.600 5.960 0.000 0.000 1.000
+PBOOHCOOA 2 523.600 5.960 0.000 0.000 1.000
+PBKETCA 2 523.600 5.960 0.000 0.000 1.000
+PBOOHC-B 2 523.600 5.960 0.000 0.000 1.000
+PBOOHCOOB 2 523.600 5.960 0.000 0.000 1.000
+PBKETCB 2 523.600 5.960 0.000 0.000 1.000
+PBOJ 2 523.600 5.960 0.000 0.000 1.000
+PBO 2 523.600 5.960 0.000 0.000 1.000
+PBENOOH 2 523.600 5.960 0.000 0.000 1.000
+AC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+CC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+DC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C4H6-3 2 523.600 5.960 0.000 0.000 1.000
+CC6H5C4H6-1 2 523.600 5.960 0.000 0.000 1.000
+DC6H5C4H6-1 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H5 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJA 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJB 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJA 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJB 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQA 2 523.600 5.960 0.000 0.000 1.000
+BBZQB 2 523.600 5.960 0.000 0.000 1.000
+BBZQC 2 523.600 5.960 0.000 0.000 1.000
+BBZQD 2 523.600 5.960 0.000 0.000 1.000
+BBZQDRC 2 523.600 5.960 0.000 0.000 1.000
+BBZQDRB 2 523.600 5.960 0.000 0.000 1.000
+BBZQDRA 2 523.600 5.960 0.000 0.000 1.000
+BBZQCRD 2 523.600 5.960 0.000 0.000 1.000
+BBZQCRB 2 523.600 5.960 0.000 0.000 1.000
+BBZQCRA 2 523.600 5.960 0.000 0.000 1.000
+BBZQBRD 2 523.600 5.960 0.000 0.000 1.000
+BBZQBRC 2 523.600 5.960 0.000 0.000 1.000
+BBZQBRA 2 523.600 5.960 0.000 0.000 1.000
+BBZQARD 2 523.600 5.960 0.000 0.000 1.000
+BBZQARC 2 523.600 5.960 0.000 0.000 1.000
+BBZQARB 2 523.600 5.960 0.000 0.000 1.000
+BBZQDQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZQDQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZQDQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZQCQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQCQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZQCQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZQBQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQBQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZQBQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZQAQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQAQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZQAQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZOCQD 2 523.600 5.960 0.000 0.000 1.000
+BBZOBQD 2 523.600 5.960 0.000 0.000 1.000
+BBZOAQD 2 523.600 5.960 0.000 0.000 1.000
+BBZODQC 2 523.600 5.960 0.000 0.000 1.000
+BBZOBQC 2 523.600 5.960 0.000 0.000 1.000
+BBZOAQC 2 523.600 5.960 0.000 0.000 1.000
+BBZODQB 2 523.600 5.960 0.000 0.000 1.000
+BBZOCQB 2 523.600 5.960 0.000 0.000 1.000
+BBZOAQB 2 523.600 5.960 0.000 0.000 1.000
+BBZODQA 2 523.600 5.960 0.000 0.000 1.000
+BBZOCQA 2 523.600 5.960 0.000 0.000 1.000
+BBZOBQA 2 523.600 5.960 0.000 0.000 1.000
+BBZOHDRC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCRD 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCRB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBRC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHARB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBRA 2 523.600 5.960 0.000 0.000 1.000
+BBZOHDQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHAQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZE3OJB 2 523.600 5.960 0.000 0.000 1.000
+BBZE1OJC 2 523.600 5.960 0.000 0.000 1.000
+BBZE1OJD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-AB 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-AC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-AD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-BC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-BD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-CD 2 523.600 5.960 0.000 0.000 1.000
+C6H4C2H 2 534.300 5.710 0.000 0.000 1.000
+A1C2HAC 2 676.500 6.310 0.000 20.000 1.000
+A2-X 2 630.400 6.180 0.000 16.500 1.000
+A2O 2 630.400 6.180 0.000 16.500 1.000
+A1C2H3AC 2 546.200 6.000 0.130 15.000 1.000
+INDENYL 2 588.600 5.960 0.000 0.000 1.000
+INDENOXY 2 546.200 6.000 0.130 15.000 1.000
+END
\ No newline at end of file
diff --git a/Exemple/Results full merging/new_model_TIRAMISU_n.mech b/Exemple/Results full merging/new_model_TIRAMISU_n.mech
new file mode 100644
index 0000000000000000000000000000000000000000..62d8a1ed65b2d0b69fcf478c736136288957fbe0
--- /dev/null
+++ b/Exemple/Results full merging/new_model_TIRAMISU_n.mech
@@ -0,0 +1,12683 @@
+!
+! n=10000 kinetics and thermodynamics retained from AA
+! 03/05/2024
+ELEMENTS
+H
+AR
+C
+N
+HE
+NE
+O
+END
+SPECIES
+C6H5CH2CH2OO ! *:_:* AA *:_:*
+C6H5CHOOCH3 ! *:_:* AA *:_:*
+FULVENE ! *:_:* AA *:_:*
+NAPH ! *:_:* AA *:_:*
+C6H5CH2J ! *:_:* AA *:_:*
+C3H2 ! *:_:* AA *:_:*
+C3H2(S) ! *:_:* AA *:_:*
+O-C6H4 ! *:_:* AA *:_:*
+C6H5CH3 ! *:_:* AA *:_:*
+C6H4CH3 ! *:_:* AA *:_:*
+OC6H4CH3 ! *:_:* AA *:_:*
+HOC6H4CH3 ! *:_:* AA *:_:*
+C6H5CH2OOJ ! *:_:* AA *:_:*
+C6H5CH2OOH ! *:_:* AA *:_:*
+C6H5CH2OJ ! *:_:* AA *:_:*
+HOC6H4CH2 ! *:_:* AA *:_:*
+C6H5CHO ! *:_:* AA *:_:*
+C6H5CH2OH ! *:_:* AA *:_:*
+C6H5C2H5 ! *:_:* AA *:_:*
+C14H14 ! *:_:* AA *:_:*
+C14H13 ! *:_:* AA *:_:*
+STYLBEN ! *:_:* AA *:_:*
+PHCCHPH ! *:_:* AA *:_:*
+C6H5CJO ! *:_:* AA *:_:*
+C14H13OO ! *:_:* AA *:_:*
+C14H12OOH ! *:_:* AA *:_:*
+C14H13O ! *:_:* AA *:_:*
+C14H13OOH ! *:_:* AA *:_:*
+C14H12O2H-1O2 ! *:_:* AA *:_:*
+C14H11O-1O2H ! *:_:* AA *:_:*
+HOC6H4CH2OO ! *:_:* AA *:_:*
+HOC6H4CH2O ! *:_:* AA *:_:*
+HOC6H4CH2OOH ! *:_:* AA *:_:*
+HOC6H4CHO ! *:_:* AA *:_:*
+C6H5CHOH ! *:_:* AA *:_:*
+C6H5C2H4S ! *:_:* AA *:_:*
+C6H5C2H4P ! *:_:* AA *:_:*
+STYR ! *:_:* AA *:_:*
+HOC6H4CO ! *:_:* AA *:_:*
+C6H5CCH2 ! *:_:* AA *:_:*
+C6H5C2H2 ! *:_:* AA *:_:*
+CH3CY24PD ! *:_:* AA *:_:*
+IND ! *:_:* AA *:_:*
+C10H9 ! *:_:* AA *:_:*
+C10H10 ! *:_:* AA *:_:*
+CXCCXCXO ! *:_:* AA *:_:*
+NAPH- ! *:_:* AA *:_:*
+NAPH* ! *:_:* AA *:_:*
+NAPHO ! *:_:* AA *:_:*
+C9H7 ! *:_:* AA *:_:*
+C9H6O ! *:_:* AA *:_:*
+BIN1A ! *:_:* AA *:_:*
+FLUORENE ! *:_:* AA *:_:*
+C14H10 ! *:_:* AA *:_:*
+C16H10 ! *:_:* AA *:_:*
+C6H5C2H ! *:_:* AA *:_:*
+C6H4C2H3 ! *:_:* AA *:_:*
+C6H5CHCO ! *:_:* AA *:_:*
+C6H5C4H9 ! *:_:* AA *:_:*
+C6H5C4H7-2 ! *:_:* AA *:_:*
+C6H5C4H7-3 ! *:_:* AA *:_:*
+C6H5C4H7-1 ! *:_:* AA *:_:*
+CR3 ! *:_:* AA *:_:*
+C6H5CH2HCO ! *:_:* AA *:_:*
+C6H5CH2CO ! *:_:* AA *:_:*
+C6H5COC2H4 ! *:_:* AA *:_:*
+C6H5COC2H3 ! *:_:* AA *:_:*
+C6H5CH2COCH2O2H ! *:_:* AA *:_:*
+C6H5COCH2CH2O2 ! *:_:* AA *:_:*
+C6H5COCH2CH2O ! *:_:* AA *:_:*
+C6H5CH2CHCO ! *:_:* AA *:_:*
+C6H5COCH2 ! *:_:* AA *:_:*
+C6H5CH2COCH2O2 ! *:_:* AA *:_:*
+C6H5CH2COCH2 ! *:_:* AA *:_:*
+C6H5CH2COCH2O ! *:_:* AA *:_:*
+C6H5CCO ! *:_:* AA *:_:*
+C6H5COCH2CH2O2H ! *:_:* AA *:_:*
+H ! *:_:* AA *:_:*
+H2 ! *:_:* AA *:_:*
+O ! *:_:* AA *:_:*
+O2 ! *:_:* AA *:_:*
+OH ! *:_:* AA *:_:*
+OH* ! *:_:* AA *:_:*
+H2O ! *:_:* AA *:_:*
+N2 ! *:_:* AA *:_:*
+HO2 ! *:_:* AA *:_:*
+H2O2 ! *:_:* AA *:_:*
+AR ! *:_:* AA *:_:*
+CO ! *:_:* AA *:_:*
+CO2 ! *:_:* AA *:_:*
+CH2O ! *:_:* AA *:_:*
+HCO ! *:_:* AA *:_:*
+HO2CHO ! *:_:* AA *:_:*
+HCOH ! *:_:* AA *:_:*
+O2CHO ! *:_:* AA *:_:*
+HOCHO ! *:_:* AA *:_:*
+OCHO ! *:_:* AA *:_:*
+HOCH2O2H ! *:_:* AA *:_:*
+HOCH2O2 ! *:_:* AA *:_:*
+OCH2O2H ! *:_:* AA *:_:*
+HOCH2O ! *:_:* AA *:_:*
+CH3OH ! *:_:* AA *:_:*
+CH2OH ! *:_:* AA *:_:*
+CH3O ! *:_:* AA *:_:*
+CH3O2H ! *:_:* AA *:_:*
+CH3O2 ! *:_:* AA *:_:*
+CH4 ! *:_:* AA *:_:*
+CH3 ! *:_:* AA *:_:*
+CH2 ! *:_:* AA *:_:*
+CH2(S) ! *:_:* AA *:_:*
+C ! *:_:* AA *:_:*
+CH ! *:_:* AA *:_:*
+CH* ! *:_:* AA *:_:*
+C2H6 ! *:_:* AA *:_:*
+C2H5 ! *:_:* AA *:_:*
+C2H4 ! *:_:* AA *:_:*
+C2H3 ! *:_:* AA *:_:*
+C2H2 ! *:_:* AA *:_:*
+C2H ! *:_:* AA *:_:*
+CH3CHO ! *:_:* AA *:_:*
+C2H3OH ! *:_:* AA *:_:*
+C2H2OH ! *:_:* AA *:_:*
+CH3CO ! *:_:* AA *:_:*
+CH2CHO ! *:_:* AA *:_:*
+O2CH2CHO ! *:_:* AA *:_:*
+HO2CH2CO ! *:_:* AA *:_:*
+CH2CO ! *:_:* AA *:_:*
+HCCO ! *:_:* AA *:_:*
+HCCOH ! *:_:* AA *:_:*
+CH3CO3H ! *:_:* AA *:_:*
+CH3CO3 ! *:_:* AA *:_:*
+CH3CO2 ! *:_:* AA *:_:*
+C2H5OH ! *:_:* AA *:_:*
+C2H5O ! *:_:* AA *:_:*
+PC2H4OH ! *:_:* AA *:_:*
+SC2H4OH ! *:_:* AA *:_:*
+O2C2H4OH ! *:_:* AA *:_:*
+C2H5O2H ! *:_:* AA *:_:*
+C2H5O2 ! *:_:* AA *:_:*
+C2H4O2H ! *:_:* AA *:_:*
+C2H4O1-2 ! *:_:* AA *:_:*
+C2H3O1-2 ! *:_:* AA *:_:*
+CH3COCH3 ! *:_:* AA *:_:*
+CH3COCH2 ! *:_:* AA *:_:*
+CH3COCH2O2 ! *:_:* AA *:_:*
+C3KET21 ! *:_:* AA *:_:*
+C2H3CHO ! *:_:* AA *:_:*
+C2H3CO ! *:_:* AA *:_:*
+C2H5CHO ! *:_:* AA *:_:*
+C2H5CO ! *:_:* AA *:_:*
+CH3OCH3 ! *:_:* AA *:_:*
+CH3OCH2 ! *:_:* AA *:_:*
+CH3OCH2O2 ! *:_:* AA *:_:*
+CH2OCH2O2H ! *:_:* AA *:_:*
+CH3OCH2O2H ! *:_:* AA *:_:*
+CH3OCH2O ! *:_:* AA *:_:*
+O2CH2OCH2O2H ! *:_:* AA *:_:*
+HO2CH2OCHO ! *:_:* AA *:_:*
+OCH2OCHO ! *:_:* AA *:_:*
+HOCH2OCO ! *:_:* AA *:_:*
+CH3OCHO ! *:_:* AA *:_:*
+CH3OCO ! *:_:* AA *:_:*
+CH2OCHO ! *:_:* AA *:_:*
+HE ! *:_:* AA *:_:*
+C3H8 ! *:_:* AA *:_:*
+IC3H7 ! *:_:* AA *:_:*
+NC3H7 ! *:_:* AA *:_:*
+C3H6 ! *:_:* AA *:_:*
+C3H5-A ! *:_:* AA *:_:*
+C3H5-S ! *:_:* AA *:_:*
+C3H5-T ! *:_:* AA *:_:*
+C3H4-P ! *:_:* AA *:_:*
+C3H4-A ! *:_:* AA *:_:*
+C3H3 ! *:_:* AA *:_:*
+C3H5O ! *:_:* AA *:_:*
+C3H6OOH1-2 ! *:_:* AA *:_:*
+C3H6OOH1-3 ! *:_:* AA *:_:*
+C3H6OOH2-1 ! *:_:* AA *:_:*
+C3H6OOH1-2O2 ! *:_:* AA *:_:*
+C3H6OOH1-3O2 ! *:_:* AA *:_:*
+C3H6OOH2-1O2 ! *:_:* AA *:_:*
+C3H6OOH2-2 ! *:_:* AA *:_:*
+NC3H7O2H ! *:_:* AA *:_:*
+IC3H7O2H ! *:_:* AA *:_:*
+NC3H7O2 ! *:_:* AA *:_:*
+IC3H7O2 ! *:_:* AA *:_:*
+NC3H7O ! *:_:* AA *:_:*
+IC3H7O ! *:_:* AA *:_:*
+C3H6O1-2 ! *:_:* AA *:_:*
+C3H6O1-3 ! *:_:* AA *:_:*
+C3KET12 ! *:_:* AA *:_:*
+C3KET13 ! *:_:* AA *:_:*
+C3H51-2,3OOH ! *:_:* AA *:_:*
+C3H52-1,3OOH ! *:_:* AA *:_:*
+C3H6OH ! *:_:* AA *:_:*
+HOC3H6O2 ! *:_:* AA *:_:*
+CH3CHCO ! *:_:* AA *:_:*
+AC3H5OOH ! *:_:* AA *:_:*
+C2H3OOH ! *:_:* AA *:_:*
+CC3H4 ! *:_:* AA *:_:*
+H2CC ! *:_:* AA *:_:*
+C4H10 ! *:_:* AA *:_:*
+C4H8-1 ! *:_:* AA *:_:*
+C4H8-2 ! *:_:* AA *:_:*
+PC4H9 ! *:_:* AA *:_:*
+SC4H9 ! *:_:* AA *:_:*
+C4H71-1 ! *:_:* AA *:_:*
+C4H71-2 ! *:_:* AA *:_:*
+C4H71-3 ! *:_:* AA *:_:*
+C4H71-4 ! *:_:* AA *:_:*
+C4H72-2 ! *:_:* AA *:_:*
+C4H6 ! *:_:* AA *:_:*
+PC4H9O2H ! *:_:* AA *:_:*
+SC4H9O2H ! *:_:* AA *:_:*
+PC4H9O2 ! *:_:* AA *:_:*
+SC4H9O2 ! *:_:* AA *:_:*
+PC4H9O ! *:_:* AA *:_:*
+SC4H9O ! *:_:* AA *:_:*
+C4H7O ! *:_:* AA *:_:*
+C4H8O1-2 ! *:_:* AA *:_:*
+C4H8O1-3 ! *:_:* AA *:_:*
+C4H8O1-4 ! *:_:* AA *:_:*
+C4H8O2-3 ! *:_:* AA *:_:*
+PC4H8OH ! *:_:* AA *:_:*
+SC4H8OH ! *:_:* AA *:_:*
+C4H8OH-1O2 ! *:_:* AA *:_:*
+C4H8OH-2O2 ! *:_:* AA *:_:*
+C4H8OOH1-1 ! *:_:* AA *:_:*
+C4H8OOH1-2 ! *:_:* AA *:_:*
+C4H8OOH1-3 ! *:_:* AA *:_:*
+C4H8OOH1-4 ! *:_:* AA *:_:*
+C4H8OOH2-1 ! *:_:* AA *:_:*
+C4H8OOH2-2 ! *:_:* AA *:_:*
+C4H8OOH2-3 ! *:_:* AA *:_:*
+C4H8OOH2-4 ! *:_:* AA *:_:*
+C4H8OOH1-2O2 ! *:_:* AA *:_:*
+C4H8OOH1-3O2 ! *:_:* AA *:_:*
+C4H8OOH1-4O2 ! *:_:* AA *:_:*
+C4H8OOH2-1O2 ! *:_:* AA *:_:*
+C4H8OOH2-3O2 ! *:_:* AA *:_:*
+C4H8OOH2-4O2 ! *:_:* AA *:_:*
+NC4KET12 ! *:_:* AA *:_:*
+NC4KET13 ! *:_:* AA *:_:*
+NC4KET14 ! *:_:* AA *:_:*
+NC4KET21 ! *:_:* AA *:_:*
+NC4KET23 ! *:_:* AA *:_:*
+NC4KET24 ! *:_:* AA *:_:*
+C2H5COCH3 ! *:_:* AA *:_:*
+C2H5COCH2 ! *:_:* AA *:_:*
+CH2CH2COCH3 ! *:_:* AA *:_:*
+CH3CHCOCH3 ! *:_:* AA *:_:*
+C2H3COCH3 ! *:_:* AA *:_:*
+CH3CHOOCOCH3 ! *:_:* AA *:_:*
+CH2CHOOHCOCH3 ! *:_:* AA *:_:*
+NC3H7CHO ! *:_:* AA *:_:*
+NC3H7CO ! *:_:* AA *:_:*
+C3H6CHO-1 ! *:_:* AA *:_:*
+C3H6CHO-2 ! *:_:* AA *:_:*
+C3H6CHO-3 ! *:_:* AA *:_:*
+C2H5CHCO ! *:_:* AA *:_:*
+SC3H5CHO ! *:_:* AA *:_:*
+SC3H5CO ! *:_:* AA *:_:*
+CH2CH2CHO ! *:_:* AA *:_:*
+IC4H10 ! *:_:* AA *:_:*
+IC4H9 ! *:_:* AA *:_:*
+TC4H9 ! *:_:* AA *:_:*
+IC4H8 ! *:_:* AA *:_:*
+IC4H7 ! *:_:* AA *:_:*
+TC4H9O2 ! *:_:* AA *:_:*
+IC4H9O2 ! *:_:* AA *:_:*
+TC4H8O2H-I ! *:_:* AA *:_:*
+IC4H8O2H-I ! *:_:* AA *:_:*
+IC4H8O2H-T ! *:_:* AA *:_:*
+IC4H8O ! *:_:* AA *:_:*
+CC4H8O ! *:_:* AA *:_:*
+IC4H9O ! *:_:* AA *:_:*
+TC4H9O ! *:_:* AA *:_:*
+IC4H9O2H ! *:_:* AA *:_:*
+TC4H9O2H ! *:_:* AA *:_:*
+IC4H7O ! *:_:* AA *:_:*
+IC4H8OH ! *:_:* AA *:_:*
+IO2C4H8OH ! *:_:* AA *:_:*
+IC3H7CHO ! *:_:* AA *:_:*
+TC3H6CHO ! *:_:* AA *:_:*
+IC3H7CO ! *:_:* AA *:_:*
+IC3H6CHO ! *:_:* AA *:_:*
+TC4H8OOH-IO2 ! *:_:* AA *:_:*
+IC4H8OOH-IO2 ! *:_:* AA *:_:*
+IC4H8OOH-TO2 ! *:_:* AA *:_:*
+IC4KETII ! *:_:* AA *:_:*
+IC4KETIT ! *:_:* AA *:_:*
+IC4H7OH ! *:_:* AA *:_:*
+IC4H6OH ! *:_:* AA *:_:*
+IC3H5CHO ! *:_:* AA *:_:*
+IC3H5CO ! *:_:* AA *:_:*
+TC3H6OCHO ! *:_:* AA *:_:*
+IC3H6CO ! *:_:* AA *:_:*
+IC4H7OOH ! *:_:* AA *:_:*
+TC3H6OHCHO ! *:_:* AA *:_:*
+TC3H6OH ! *:_:* AA *:_:*
+IC3H5OH ! *:_:* AA *:_:*
+TC3H6O2CHO ! *:_:* AA *:_:*
+TC3H6O2HCO ! *:_:* AA *:_:*
+IC3H5O2HCHO ! *:_:* AA *:_:*
+CH2CCH2OH ! *:_:* AA *:_:*
+TC4H8CHO ! *:_:* AA *:_:*
+O2C4H8CHO ! *:_:* AA *:_:*
+O2HC4H8CO ! *:_:* AA *:_:*
+C3H5OH ! *:_:* AA *:_:*
+TIC4H7Q2-I ! *:_:* AA *:_:*
+IIC4H7Q2-T ! *:_:* AA *:_:*
+IIC4H7Q2-I ! *:_:* AA *:_:*
+CH2O2H ! *:_:* AA *:_:*
+C4H4 ! *:_:* AA *:_:*
+C4H3-I ! *:_:* AA *:_:*
+NC4H3 ! *:_:* AA *:_:*
+CH2CCHCH3 ! *:_:* AA *:_:*
+C4H2 ! *:_:* AA *:_:*
+C4H5 ! *:_:* AA *:_:*
+NC4H5 ! *:_:* AA *:_:*
+AC3H5CO ! *:_:* AA *:_:*
+CXOCXCCJ ! *:_:* AA *:_:*
+C4H6O25 ! *:_:* AA *:_:*
+C2H3CHOCH2 ! *:_:* AA *:_:*
+C4H5-2 ! *:_:* AA *:_:*
+C4H6-2 ! *:_:* AA *:_:*
+C4H6O23 ! *:_:* AA *:_:*
+AC3H5CHO ! *:_:* AA *:_:*
+C4H4O ! *:_:* AA *:_:*
+H2C4O ! *:_:* AA *:_:*
+C6H6 ! *:_:* AA *:_:*
+CXCCJCXC ! *:_:* AA *:_:*
+CY13PD ! *:_:* AA *:_:*
+C6H5 ! *:_:* AA *:_:*
+C6H2 ! *:_:* AA *:_:*
+C6H3 ! *:_:* AA *:_:*
+L-C6H4 ! *:_:* AA *:_:*
+C-C6H4 ! *:_:* AA *:_:*
+C6H5OJ ! *:_:* AA *:_:*
+C6H5OH ! *:_:* AA *:_:*
+OC6H4O ! *:_:* AA *:_:*
+O-C6H4O2 ! *:_:* AA *:_:*
+P-C6H3O2 ! *:_:* AA *:_:*
+CY13PD5J ! *:_:* AA *:_:*
+CYPDONE ! *:_:* AA *:_:*
+CYC5H5OJ ! *:_:* AA *:_:*
+CYC5H5OH ! *:_:* AA *:_:*
+CYC5H4OH ! *:_:* AA *:_:*
+CPDJONE ! *:_:* AA *:_:*
+C6H5O2 ! *:_:* AA *:_:*
+C6H5OOH ! *:_:* AA *:_:*
+OC6H4OH ! *:_:* AA *:_:*
+C6H4OH ! *:_:* AA *:_:*
+YOC6JDO ! *:_:* AA *:_:*
+P-OC6H5OJ ! *:_:* AA *:_:*
+CJCXCC#C ! *:_:* AA *:_:*
+C5H6-L ! *:_:* AA *:_:*
+OXCCXCCXCJ ! *:_:* AA *:_:*
+OXCJCXCCXC ! *:_:* AA *:_:*
+CJXCCXO ! *:_:* AA *:_:*
+CYC5H7U1 ! *:_:* AA *:_:*
+CXOCCCJCXO ! *:_:* AA *:_:*
+C*CCJC*COH ! *:_:* AA *:_:*
+CXCCXCCJ ! *:_:* AA *:_:*
+CXCCXCC ! *:_:* AA *:_:*
+CXCCXCCOH ! *:_:* AA *:_:*
+C2H3CHCHO ! *:_:* AA *:_:*
+CXOCCCXO ! *:_:* AA *:_:*
+CXOCCCJXO ! *:_:* AA *:_:*
+HOCO ! *:_:* AA *:_:*
+HOC*CC*O ! *:_:* AA *:_:*
+HOC*CCJ*O ! *:_:* AA *:_:*
+DHCO2J ! *:_:* AA *:_:*
+PBZ ! *:_:* AA *:_:*
+PBZJA ! *:_:* AA *:_:*
+PBZJB ! *:_:* AA *:_:*
+PBZJC ! *:_:* AA *:_:*
+CR4 ! *:_:* AA *:_:*
+C6H5C3H4 ! *:_:* AA *:_:*
+C6H5C2H4HCO ! *:_:* AA *:_:*
+C6H5C2H4CO ! *:_:* AA *:_:*
+C6H5C2H2HCO ! *:_:* AA *:_:*
+BC6H5C3H5OHA ! *:_:* AA *:_:*
+AC6H5C3H5OHB ! *:_:* AA *:_:*
+CC6H5C3H5OHB ! *:_:* AA *:_:*
+BC6H5C3H5OHC ! *:_:* AA *:_:*
+PBZOHAQJB ! *:_:* AA *:_:*
+PBZOHBQJA ! *:_:* AA *:_:*
+PBZOHBQJC ! *:_:* AA *:_:*
+PBZOHCQJB ! *:_:* AA *:_:*
+COC6H5C3H4-1 ! *:_:* AA *:_:*
+AOC6H5C3H4-2 ! *:_:* AA *:_:*
+CH3C6H4C2H3 ! *:_:* AA *:_:*
+HCOHCO ! *:_:* AA *:_:*
+PBZAOO ! *:_:* AA *:_:*
+PBZBOO ! *:_:* AA *:_:*
+PBZCOO ! *:_:* AA *:_:*
+CYCLO4 ! *:_:* AA *:_:*
+CYC3AB ! *:_:* AA *:_:*
+CYC3CB ! *:_:* AA *:_:*
+PBOOHA-B ! *:_:* AA *:_:*
+PBOOHAOOB ! *:_:* AA *:_:*
+PBKETAB ! *:_:* AA *:_:*
+PBOOHA-C ! *:_:* AA *:_:*
+PBOOHAOOC ! *:_:* AA *:_:*
+PBKETAC ! *:_:* AA *:_:*
+PBOOHB-A ! *:_:* AA *:_:*
+PBOOHBOOA ! *:_:* AA *:_:*
+PBKETBA ! *:_:* AA *:_:*
+PBOOHB-C ! *:_:* AA *:_:*
+PBOOHBOOC ! *:_:* AA *:_:*
+PBKETBC ! *:_:* AA *:_:*
+PBOOHC-A ! *:_:* AA *:_:*
+PBOOHCOOA ! *:_:* AA *:_:*
+PBKETCA ! *:_:* AA *:_:*
+PBOOHC-B ! *:_:* AA *:_:*
+PBOOHCOOB ! *:_:* AA *:_:*
+PBKETCB ! *:_:* AA *:_:*
+PBOJ ! *:_:* AA *:_:*
+PBO ! *:_:* AA *:_:*
+PBENOOH ! *:_:* AA *:_:*
+AC6H5C4H8 ! *:_:* AA *:_:*
+BC6H5C4H8 ! *:_:* AA *:_:*
+CC6H5C4H8 ! *:_:* AA *:_:*
+DC6H5C4H8 ! *:_:* AA *:_:*
+BC6H5C4H6-3 ! *:_:* AA *:_:*
+CC6H5C4H6-1 ! *:_:* AA *:_:*
+DC6H5C4H6-1 ! *:_:* AA *:_:*
+C6H5C4H5 ! *:_:* AA *:_:*
+C6H5C4H8OJA ! *:_:* AA *:_:*
+C6H5C4H8OJB ! *:_:* AA *:_:*
+C6H5C4H8OJC ! *:_:* AA *:_:*
+C6H5C4H8OJD ! *:_:* AA *:_:*
+C6H5C4H8QJA ! *:_:* AA *:_:*
+C6H5C4H8QJB ! *:_:* AA *:_:*
+C6H5C4H8QJC ! *:_:* AA *:_:*
+C6H5C4H8QJD ! *:_:* AA *:_:*
+BBZQA ! *:_:* AA *:_:*
+BBZQB ! *:_:* AA *:_:*
+BBZQC ! *:_:* AA *:_:*
+BBZQD ! *:_:* AA *:_:*
+BBZQDRC ! *:_:* AA *:_:*
+BBZQDRB ! *:_:* AA *:_:*
+BBZQDRA ! *:_:* AA *:_:*
+BBZQCRD ! *:_:* AA *:_:*
+BBZQCRB ! *:_:* AA *:_:*
+BBZQCRA ! *:_:* AA *:_:*
+BBZQBRD ! *:_:* AA *:_:*
+BBZQBRC ! *:_:* AA *:_:*
+BBZQBRA ! *:_:* AA *:_:*
+BBZQARD ! *:_:* AA *:_:*
+BBZQARC ! *:_:* AA *:_:*
+BBZQARB ! *:_:* AA *:_:*
+BBZQDQJC ! *:_:* AA *:_:*
+BBZQDQJB ! *:_:* AA *:_:*
+BBZQDQJA ! *:_:* AA *:_:*
+BBZQCQJD ! *:_:* AA *:_:*
+BBZQCQJB ! *:_:* AA *:_:*
+BBZQCQJA ! *:_:* AA *:_:*
+BBZQBQJD ! *:_:* AA *:_:*
+BBZQBQJC ! *:_:* AA *:_:*
+BBZQBQJA ! *:_:* AA *:_:*
+BBZQAQJD ! *:_:* AA *:_:*
+BBZQAQJC ! *:_:* AA *:_:*
+BBZQAQJB ! *:_:* AA *:_:*
+BBZOCQD ! *:_:* AA *:_:*
+BBZOBQD ! *:_:* AA *:_:*
+BBZOAQD ! *:_:* AA *:_:*
+BBZODQC ! *:_:* AA *:_:*
+BBZOBQC ! *:_:* AA *:_:*
+BBZOAQC ! *:_:* AA *:_:*
+BBZODQB ! *:_:* AA *:_:*
+BBZOCQB ! *:_:* AA *:_:*
+BBZOAQB ! *:_:* AA *:_:*
+BBZODQA ! *:_:* AA *:_:*
+BBZOCQA ! *:_:* AA *:_:*
+BBZOBQA ! *:_:* AA *:_:*
+BBZOHDRC ! *:_:* AA *:_:*
+BBZOHCRD ! *:_:* AA *:_:*
+BBZOHCRB ! *:_:* AA *:_:*
+BBZOHBRC ! *:_:* AA *:_:*
+BBZOHARB ! *:_:* AA *:_:*
+BBZOHBRA ! *:_:* AA *:_:*
+BBZOHDQJC ! *:_:* AA *:_:*
+BBZOHCQJD ! *:_:* AA *:_:*
+BBZOHCQJB ! *:_:* AA *:_:*
+BBZOHBQJC ! *:_:* AA *:_:*
+BBZOHAQJB ! *:_:* AA *:_:*
+BBZOHBQJA ! *:_:* AA *:_:*
+BBZE3OJB ! *:_:* AA *:_:*
+BBZE1OJC ! *:_:* AA *:_:*
+BBZE1OJD ! *:_:* AA *:_:*
+C6H5C4H7O-AB ! *:_:* AA *:_:*
+C6H5C4H7O-AC ! *:_:* AA *:_:*
+C6H5C4H7O-AD ! *:_:* AA *:_:*
+C6H5C4H7O-BC ! *:_:* AA *:_:*
+C6H5C4H7O-BD ! *:_:* AA *:_:*
+C6H5C4H7O-CD ! *:_:* AA *:_:*
+C6H4C2H ! *:_:* AA *:_:*
+A1C2HAC ! *:_:* AA *:_:*
+A2-X ! *:_:* AA *:_:*
+A2O ! *:_:* AA *:_:*
+A1C2H3AC ! *:_:* AA *:_:*
+INDENYL ! *:_:* AA *:_:*
+INDENOXY ! *:_:* AA *:_:*
+PHENA ! *:_:* AA *:_:*
+CH3COCH2O2H ! *:_:* LLNL *:_:*
+CH3COCH2O ! *:_:* LLNL *:_:*
+NC5H12 ! *:_:* LLNL *:_:*
+C5H11-1 ! *:_:* LLNL *:_:*
+C5H11-2 ! *:_:* LLNL *:_:*
+C5H11-3 ! *:_:* LLNL *:_:*
+C5H10-1 ! *:_:* LLNL *:_:*
+C5H10-2 ! *:_:* LLNL *:_:*
+C5H81-3 ! *:_:* LLNL *:_:*
+C5H91-3 ! *:_:* LLNL *:_:*
+C5H91-4 ! *:_:* LLNL *:_:*
+C5H91-5 ! *:_:* LLNL *:_:*
+C5H92-4 ! *:_:* LLNL *:_:*
+C5H92-5 ! *:_:* LLNL *:_:*
+C5H9O1-3 ! *:_:* LLNL *:_:*
+C5H9O2-4 ! *:_:* LLNL *:_:*
+C5H11O2H-1 ! *:_:* LLNL *:_:*
+C5H11O2H-2 ! *:_:* LLNL *:_:*
+C5H11O2H-3 ! *:_:* LLNL *:_:*
+C5H11O2-1 ! *:_:* LLNL *:_:*
+C5H11O2-2 ! *:_:* LLNL *:_:*
+C5H11O2-3 ! *:_:* LLNL *:_:*
+C5H11O-1 ! *:_:* LLNL *:_:*
+C5H11O-2 ! *:_:* LLNL *:_:*
+C5H11O-3 ! *:_:* LLNL *:_:*
+C5H10OOH1-2 ! *:_:* LLNL *:_:*
+C5H10OOH1-3 ! *:_:* LLNL *:_:*
+C5H10OOH1-4 ! *:_:* LLNL *:_:*
+C5H10OOH1-5 ! *:_:* LLNL *:_:*
+C5H10OOH2-1 ! *:_:* LLNL *:_:*
+C5H10OOH2-3 ! *:_:* LLNL *:_:*
+C5H10OOH2-4 ! *:_:* LLNL *:_:*
+C5H10OOH2-5 ! *:_:* LLNL *:_:*
+C5H10OOH3-2 ! *:_:* LLNL *:_:*
+C5H10OOH3-1 ! *:_:* LLNL *:_:*
+C5H10O1-2 ! *:_:* LLNL *:_:*
+C5H10O1-3 ! *:_:* LLNL *:_:*
+C5H10O1-4 ! *:_:* LLNL *:_:*
+C5H10O1-5 ! *:_:* LLNL *:_:*
+C5H10O2-3 ! *:_:* LLNL *:_:*
+C5H10O2-4 ! *:_:* LLNL *:_:*
+C5H10OOH1-2O2 ! *:_:* LLNL *:_:*
+C5H10OOH1-3O2 ! *:_:* LLNL *:_:*
+C5H10OOH1-4O2 ! *:_:* LLNL *:_:*
+C5H10OOH1-5O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-1O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-3O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-4O2 ! *:_:* LLNL *:_:*
+C5H10OOH2-5O2 ! *:_:* LLNL *:_:*
+C5H10OOH3-1O2 ! *:_:* LLNL *:_:*
+C5H10OOH3-2O2 ! *:_:* LLNL *:_:*
+NC5KET12 ! *:_:* LLNL *:_:*
+NC5KET13 ! *:_:* LLNL *:_:*
+NC5KET14 ! *:_:* LLNL *:_:*
+NC5KET15 ! *:_:* LLNL *:_:*
+NC5KET21 ! *:_:* LLNL *:_:*
+NC5KET23 ! *:_:* LLNL *:_:*
+NC5KET24 ! *:_:* LLNL *:_:*
+NC5KET25 ! *:_:* LLNL *:_:*
+NC5KET31 ! *:_:* LLNL *:_:*
+NC5KET32 ! *:_:* LLNL *:_:*
+C5H10OH-1 ! *:_:* LLNL *:_:*
+C5H10OH-2 ! *:_:* LLNL *:_:*
+O2C5H10OH-1 ! *:_:* LLNL *:_:*
+O2C5H10OH-2 ! *:_:* LLNL *:_:*
+NC6H14 ! *:_:* LLNL *:_:*
+C6H13-1 ! *:_:* LLNL *:_:*
+C6H13-2 ! *:_:* LLNL *:_:*
+C6H13-3 ! *:_:* LLNL *:_:*
+C6H12-1 ! *:_:* LLNL *:_:*
+C6H12-2 ! *:_:* LLNL *:_:*
+C6H12-3 ! *:_:* LLNL *:_:*
+C6H111-3 ! *:_:* LLNL *:_:*
+C6H111-4 ! *:_:* LLNL *:_:*
+C6H111-5 ! *:_:* LLNL *:_:*
+C6H111-6 ! *:_:* LLNL *:_:*
+C6H112-4 ! *:_:* LLNL *:_:*
+C6H112-5 ! *:_:* LLNL *:_:*
+C6H112-6 ! *:_:* LLNL *:_:*
+C6H113-1 ! *:_:* LLNL *:_:*
+C6H11O1-3 ! *:_:* LLNL *:_:*
+C6H11O2-4 ! *:_:* LLNL *:_:*
+C6H12O1-2 ! *:_:* LLNL *:_:*
+C6H12O1-3 ! *:_:* LLNL *:_:*
+C6H12O1-4 ! *:_:* LLNL *:_:*
+C6H12O1-5 ! *:_:* LLNL *:_:*
+C6H12O2-3 ! *:_:* LLNL *:_:*
+C6H12O2-4 ! *:_:* LLNL *:_:*
+C6H12O2-5 ! *:_:* LLNL *:_:*
+C6H12O3-4 ! *:_:* LLNL *:_:*
+C6H13O2H-1 ! *:_:* LLNL *:_:*
+C6H13O2H-2 ! *:_:* LLNL *:_:*
+C6H13O2H-3 ! *:_:* LLNL *:_:*
+C6H13O2-1 ! *:_:* LLNL *:_:*
+C6H13O2-2 ! *:_:* LLNL *:_:*
+C6H13O2-3 ! *:_:* LLNL *:_:*
+C6H12OOH1-2 ! *:_:* LLNL *:_:*
+C6H12OOH1-3 ! *:_:* LLNL *:_:*
+C6H12OOH1-4 ! *:_:* LLNL *:_:*
+C6H12OOH1-5 ! *:_:* LLNL *:_:*
+C6H12OOH2-1 ! *:_:* LLNL *:_:*
+C6H12OOH2-3 ! *:_:* LLNL *:_:*
+C6H12OOH2-4 ! *:_:* LLNL *:_:*
+C6H12OOH2-5 ! *:_:* LLNL *:_:*
+C6H12OOH2-6 ! *:_:* LLNL *:_:*
+C6H12OOH3-1 ! *:_:* LLNL *:_:*
+C6H12OOH3-2 ! *:_:* LLNL *:_:*
+C6H12OOH3-4 ! *:_:* LLNL *:_:*
+C6H12OOH3-5 ! *:_:* LLNL *:_:*
+C6H12OOH3-6 ! *:_:* LLNL *:_:*
+C6H12OOH1-2O2 ! *:_:* LLNL *:_:*
+C6H12OOH1-3O2 ! *:_:* LLNL *:_:*
+C6H12OOH1-4O2 ! *:_:* LLNL *:_:*
+C6H12OOH1-5O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-1O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-3O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-4O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-5O2 ! *:_:* LLNL *:_:*
+C6H12OOH2-6O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-1O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-2O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-4O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-5O2 ! *:_:* LLNL *:_:*
+C6H12OOH3-6O2 ! *:_:* LLNL *:_:*
+NC6KET12 ! *:_:* LLNL *:_:*
+NC6KET13 ! *:_:* LLNL *:_:*
+NC6KET14 ! *:_:* LLNL *:_:*
+NC6KET15 ! *:_:* LLNL *:_:*
+NC6KET21 ! *:_:* LLNL *:_:*
+NC6KET23 ! *:_:* LLNL *:_:*
+NC6KET24 ! *:_:* LLNL *:_:*
+NC6KET25 ! *:_:* LLNL *:_:*
+NC6KET26 ! *:_:* LLNL *:_:*
+NC6KET31 ! *:_:* LLNL *:_:*
+NC6KET32 ! *:_:* LLNL *:_:*
+NC6KET34 ! *:_:* LLNL *:_:*
+NC6KET35 ! *:_:* LLNL *:_:*
+NC6KET36 ! *:_:* LLNL *:_:*
+C6H13O-1 ! *:_:* LLNL *:_:*
+C6H13O-2 ! *:_:* LLNL *:_:*
+C6H13O-3 ! *:_:* LLNL *:_:*
+C6H12OH-1 ! *:_:* LLNL *:_:*
+C6H12OH-2 ! *:_:* LLNL *:_:*
+C6H12OH-3 ! *:_:* LLNL *:_:*
+O2C6H12OH-1 ! *:_:* LLNL *:_:*
+O2C6H12OH-2 ! *:_:* LLNL *:_:*
+O2C6H12OH-3 ! *:_:* LLNL *:_:*
+NC4H9CHO ! *:_:* LLNL *:_:*
+NC4H9CO ! *:_:* LLNL *:_:*
+C4H8CHO-1 ! *:_:* LLNL *:_:*
+C4H8CHO-2 ! *:_:* LLNL *:_:*
+C4H8CHO-3 ! *:_:* LLNL *:_:*
+C4H8CHO-4 ! *:_:* LLNL *:_:*
+NC3H7COCH3 ! *:_:* LLNL *:_:*
+NC3H7COCH2 ! *:_:* LLNL *:_:*
+C3H6COCH3-1 ! *:_:* LLNL *:_:*
+C3H6COCH3-2 ! *:_:* LLNL *:_:*
+C3H6COCH3-3 ! *:_:* LLNL *:_:*
+C2H5COC2H5 ! *:_:* LLNL *:_:*
+C2H5COC2H4P ! *:_:* LLNL *:_:*
+C2H5COC2H4S ! *:_:* LLNL *:_:*
+C2H5COC2H3 ! *:_:* LLNL *:_:*
+PC2H4COC2H3 ! *:_:* LLNL *:_:*
+SC2H4COC2H3 ! *:_:* LLNL *:_:*
+NC7H16 ! *:_:* LLNL *:_:*
+C7H15-1 ! *:_:* LLNL *:_:*
+C7H15-2 ! *:_:* LLNL *:_:*
+C7H15-3 ! *:_:* LLNL *:_:*
+C7H15-4 ! *:_:* LLNL *:_:*
+C7H14-1 ! *:_:* LLNL *:_:*
+C7H14-2 ! *:_:* LLNL *:_:*
+C7H14-3 ! *:_:* LLNL *:_:*
+C7H131-3 ! *:_:* LLNL *:_:*
+C7H131-4 ! *:_:* LLNL *:_:*
+C7H131-5 ! *:_:* LLNL *:_:*
+C7H131-6 ! *:_:* LLNL *:_:*
+C7H131-7 ! *:_:* LLNL *:_:*
+C7H132-4 ! *:_:* LLNL *:_:*
+C7H132-5 ! *:_:* LLNL *:_:*
+C7H132-6 ! *:_:* LLNL *:_:*
+C7H132-7 ! *:_:* LLNL *:_:*
+C7H133-1 ! *:_:* LLNL *:_:*
+C7H133-5 ! *:_:* LLNL *:_:*
+C7H133-6 ! *:_:* LLNL *:_:*
+C7H133-7 ! *:_:* LLNL *:_:*
+C7H13O1-3 ! *:_:* LLNL *:_:*
+C7H13O2-4 ! *:_:* LLNL *:_:*
+C7H13O3-5 ! *:_:* LLNL *:_:*
+C7H15O2-1 ! *:_:* LLNL *:_:*
+C7H15O2-2 ! *:_:* LLNL *:_:*
+C7H15O2-3 ! *:_:* LLNL *:_:*
+C7H15O2-4 ! *:_:* LLNL *:_:*
+C7H15O2H-1 ! *:_:* LLNL *:_:*
+C7H15O2H-2 ! *:_:* LLNL *:_:*
+C7H15O2H-3 ! *:_:* LLNL *:_:*
+C7H15O2H-4 ! *:_:* LLNL *:_:*
+C7H15O-1 ! *:_:* LLNL *:_:*
+C7H15O-2 ! *:_:* LLNL *:_:*
+C7H15O-3 ! *:_:* LLNL *:_:*
+C7H15O-4 ! *:_:* LLNL *:_:*
+C7H14OOH1-2 ! *:_:* LLNL *:_:*
+C7H14OOH1-3 ! *:_:* LLNL *:_:*
+C7H14OOH1-4 ! *:_:* LLNL *:_:*
+C7H14OOH1-5 ! *:_:* LLNL *:_:*
+C7H14OOH2-1 ! *:_:* LLNL *:_:*
+C7H14OOH2-3 ! *:_:* LLNL *:_:*
+C7H14OOH2-4 ! *:_:* LLNL *:_:*
+C7H14OOH2-5 ! *:_:* LLNL *:_:*
+C7H14OOH2-6 ! *:_:* LLNL *:_:*
+C7H14OOH3-1 ! *:_:* LLNL *:_:*
+C7H14OOH3-2 ! *:_:* LLNL *:_:*
+C7H14OOH3-4 ! *:_:* LLNL *:_:*
+C7H14OOH3-5 ! *:_:* LLNL *:_:*
+C7H14OOH3-6 ! *:_:* LLNL *:_:*
+C7H14OOH3-7 ! *:_:* LLNL *:_:*
+C7H14OOH4-1 ! *:_:* LLNL *:_:*
+C7H14OOH4-2 ! *:_:* LLNL *:_:*
+C7H14OOH4-3 ! *:_:* LLNL *:_:*
+C7H14OOH1-2O2 ! *:_:* LLNL *:_:*
+C7H14OOH1-3O2 ! *:_:* LLNL *:_:*
+C7H14OOH1-4O2 ! *:_:* LLNL *:_:*
+C7H14OOH1-5O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-1O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-3O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-4O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-5O2 ! *:_:* LLNL *:_:*
+C7H14OOH2-6O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-1O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-2O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-4O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-5O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-6O2 ! *:_:* LLNL *:_:*
+C7H14OOH3-7O2 ! *:_:* LLNL *:_:*
+C7H14OOH4-1O2 ! *:_:* LLNL *:_:*
+C7H14OOH4-2O2 ! *:_:* LLNL *:_:*
+C7H14OOH4-3O2 ! *:_:* LLNL *:_:*
+C7H14O1-2 ! *:_:* LLNL *:_:*
+C7H14O1-3 ! *:_:* LLNL *:_:*
+C7H14O1-4 ! *:_:* LLNL *:_:*
+C7H14O1-5 ! *:_:* LLNL *:_:*
+C7H14O2-3 ! *:_:* LLNL *:_:*
+C7H14O2-4 ! *:_:* LLNL *:_:*
+C7H14O2-5 ! *:_:* LLNL *:_:*
+C7H14O2-6 ! *:_:* LLNL *:_:*
+C7H14O3-4 ! *:_:* LLNL *:_:*
+C7H14O3-5 ! *:_:* LLNL *:_:*
+NC7KET12 ! *:_:* LLNL *:_:*
+NC7KET13 ! *:_:* LLNL *:_:*
+NC7KET14 ! *:_:* LLNL *:_:*
+NC7KET15 ! *:_:* LLNL *:_:*
+NC7KET21 ! *:_:* LLNL *:_:*
+NC7KET23 ! *:_:* LLNL *:_:*
+NC7KET24 ! *:_:* LLNL *:_:*
+NC7KET25 ! *:_:* LLNL *:_:*
+NC7KET26 ! *:_:* LLNL *:_:*
+NC7KET31 ! *:_:* LLNL *:_:*
+NC7KET32 ! *:_:* LLNL *:_:*
+NC7KET34 ! *:_:* LLNL *:_:*
+NC7KET35 ! *:_:* LLNL *:_:*
+NC7KET36 ! *:_:* LLNL *:_:*
+NC7KET37 ! *:_:* LLNL *:_:*
+NC7KET41 ! *:_:* LLNL *:_:*
+NC7KET42 ! *:_:* LLNL *:_:*
+NC7KET43 ! *:_:* LLNL *:_:*
+C7H14OH-1 ! *:_:* LLNL *:_:*
+C7H14OH-2 ! *:_:* LLNL *:_:*
+C7H14OH-3 ! *:_:* LLNL *:_:*
+O2C7H14OH-1 ! *:_:* LLNL *:_:*
+O2C7H14OH-2 ! *:_:* LLNL *:_:*
+O2C7H14OH-3 ! *:_:* LLNL *:_:*
+NC5H11CHO ! *:_:* LLNL *:_:*
+NC5H11CO ! *:_:* LLNL *:_:*
+C5H10CHO-1 ! *:_:* LLNL *:_:*
+C5H10CHO-2 ! *:_:* LLNL *:_:*
+C5H10CHO-3 ! *:_:* LLNL *:_:*
+C5H10CHO-4 ! *:_:* LLNL *:_:*
+C5H10CHO-5 ! *:_:* LLNL *:_:*
+C4H7CHO1-4 ! *:_:* LLNL *:_:*
+C4H7CO1-4 ! *:_:* LLNL *:_:*
+C4H6CHO1-43 ! *:_:* LLNL *:_:*
+C4H6CHO1-44 ! *:_:* LLNL *:_:*
+NC4H9COCH3 ! *:_:* LLNL *:_:*
+NC4H9COCH2 ! *:_:* LLNL *:_:*
+C4H8COCH3-1 ! *:_:* LLNL *:_:*
+C4H8COCH3-2 ! *:_:* LLNL *:_:*
+C4H8COCH3-3 ! *:_:* LLNL *:_:*
+C4H8COCH3-4 ! *:_:* LLNL *:_:*
+C4H7OOH1-4 ! *:_:* LLNL *:_:*
+C4H7O1-4 ! *:_:* LLNL *:_:*
+C5H9OOH1-4 ! *:_:* LLNL *:_:*
+C5H9O1-4 ! *:_:* LLNL *:_:*
+C5H9OOH1-5 ! *:_:* LLNL *:_:*
+C5H9O1-5 ! *:_:* LLNL *:_:*
+C6H11OOH1-4 ! *:_:* LLNL *:_:*
+C6H11O1-4 ! *:_:* LLNL *:_:*
+C6H11OOH1-5 ! *:_:* LLNL *:_:*
+C6H11O1-5 ! *:_:* LLNL *:_:*
+C5H91-1 ! *:_:* LLNL *:_:*
+C4H7CHO1-1 ! *:_:* LLNL *:_:*
+C4H7CO1-1 ! *:_:* LLNL *:_:*
+C4H6CHO1-14 ! *:_:* LLNL *:_:*
+C4H6CHO1-13 ! *:_:* LLNL *:_:*
+NC3H7COC2H5 ! *:_:* LLNL *:_:*
+C3H6COC2H5-1 ! *:_:* LLNL *:_:*
+C3H6COC2H5-2 ! *:_:* LLNL *:_:*
+C3H6COC2H5-3 ! *:_:* LLNL *:_:*
+NC3H7COC2H4P ! *:_:* LLNL *:_:*
+NC3H7COC2H4S ! *:_:* LLNL *:_:*
+CHCHCHO ! *:_:* LLNL *:_:*
+C6H101-3 ! *:_:* LLNL *:_:*
+C6H101-4 ! *:_:* LLNL *:_:*
+C6H101-5 ! *:_:* LLNL *:_:*
+C6H102-4 ! *:_:* LLNL *:_:*
+ETES1 ! *:_:* LLNL *:_:*
+MVOX ! *:_:* LLNL *:_:*
+VTHF ! *:_:* LLNL *:_:*
+EDHF ! *:_:* LLNL *:_:*
+C6H111O2H-4 ! *:_:* LLNL *:_:*
+C6H111O2H-5 ! *:_:* LLNL *:_:*
+C6H111O2H-6 ! *:_:* LLNL *:_:*
+C6H112O2H-4 ! *:_:* LLNL *:_:*
+C6H112O2H-5 ! *:_:* LLNL *:_:*
+C6H112O2H-6 ! *:_:* LLNL *:_:*
+C6H113O2H-2 ! *:_:* LLNL *:_:*
+C6H113O2H-1 ! *:_:* LLNL *:_:*
+NC6D1KET34 ! *:_:* LLNL *:_:*
+NC6D1KET35 ! *:_:* LLNL *:_:*
+NC6D1KET36 ! *:_:* LLNL *:_:*
+NC6D1KET43 ! *:_:* LLNL *:_:*
+NC6D1KET45 ! *:_:* LLNL *:_:*
+NC6D1KET46 ! *:_:* LLNL *:_:*
+NC6D1KET53 ! *:_:* LLNL *:_:*
+NC6D1KET54 ! *:_:* LLNL *:_:*
+NC6D1KET56 ! *:_:* LLNL *:_:*
+NC6D1KET63 ! *:_:* LLNL *:_:*
+NC6D1KET64 ! *:_:* LLNL *:_:*
+NC6D1KET65 ! *:_:* LLNL *:_:*
+NC6D2KET45 ! *:_:* LLNL *:_:*
+NC6D2KET46 ! *:_:* LLNL *:_:*
+NC6D2KET54 ! *:_:* LLNL *:_:*
+NC6D2KET56 ! *:_:* LLNL *:_:*
+NC6D2KET64 ! *:_:* LLNL *:_:*
+NC6D2KET65 ! *:_:* LLNL *:_:*
+NC6D3KET12 ! *:_:* LLNL *:_:*
+NC6D3KET21 ! *:_:* LLNL *:_:*
+C6H112O2-1 ! *:_:* LLNL *:_:*
+C6H111O2-3 ! *:_:* LLNL *:_:*
+C6H111O2-4 ! *:_:* LLNL *:_:*
+C6H111O2-5 ! *:_:* LLNL *:_:*
+C6H111O2-6 ! *:_:* LLNL *:_:*
+C6H112O2-4 ! *:_:* LLNL *:_:*
+C6H112O2-5 ! *:_:* LLNL *:_:*
+C6H112O2-6 ! *:_:* LLNL *:_:*
+C6H113O2-1 ! *:_:* LLNL *:_:*
+C6H113O2-2 ! *:_:* LLNL *:_:*
+C6H101OOH3-4 ! *:_:* LLNL *:_:*
+C6H101OOH3-5 ! *:_:* LLNL *:_:*
+C6H101OOH3-6 ! *:_:* LLNL *:_:*
+C6H101OOH4-3 ! *:_:* LLNL *:_:*
+C6H101OOH4-5 ! *:_:* LLNL *:_:*
+C6H101OOH4-6 ! *:_:* LLNL *:_:*
+C6H101OOH5-3 ! *:_:* LLNL *:_:*
+C6H101OOH5-4 ! *:_:* LLNL *:_:*
+C6H101OOH5-6 ! *:_:* LLNL *:_:*
+C6H101OOH6-3 ! *:_:* LLNL *:_:*
+C6H101OOH6-4 ! *:_:* LLNL *:_:*
+C6H101OOH6-5 ! *:_:* LLNL *:_:*
+C6H101OOH3-4O2 ! *:_:* LLNL *:_:*
+C6H101OOH3-5O2 ! *:_:* LLNL *:_:*
+C6H101OOH3-6O2 ! *:_:* LLNL *:_:*
+C6H101OOH4-3O2 ! *:_:* LLNL *:_:*
+C6H101OOH4-5O2 ! *:_:* LLNL *:_:*
+C6H101OOH4-6O2 ! *:_:* LLNL *:_:*
+C6H101OOH5-3O2 ! *:_:* LLNL *:_:*
+C6H101OOH5-4O2 ! *:_:* LLNL *:_:*
+C6H101OOH5-6O2 ! *:_:* LLNL *:_:*
+C6H101OOH6-3O2 ! *:_:* LLNL *:_:*
+C6H101OOH6-4O2 ! *:_:* LLNL *:_:*
+C6H101OOH6-5O2 ! *:_:* LLNL *:_:*
+C6H102OOH5-4 ! *:_:* LLNL *:_:*
+C6H103OOH1-2 ! *:_:* LLNL *:_:*
+C6H102OOH4-5 ! *:_:* LLNL *:_:*
+C6H102OOH4-6 ! *:_:* LLNL *:_:*
+C6H102OOH5-6 ! *:_:* LLNL *:_:*
+C6H102OOH6-4 ! *:_:* LLNL *:_:*
+C6H102OOH6-5 ! *:_:* LLNL *:_:*
+C6H103OOH2-1 ! *:_:* LLNL *:_:*
+C6H102OOH4-5O2 ! *:_:* LLNL *:_:*
+C6H102OOH4-6O2 ! *:_:* LLNL *:_:*
+C6H102OOH5-4O2 ! *:_:* LLNL *:_:*
+C6H102OOH5-6O2 ! *:_:* LLNL *:_:*
+C6H102OOH6-4O2 ! *:_:* LLNL *:_:*
+C6H102OOH6-5O2 ! *:_:* LLNL *:_:*
+C6H103OOH2-1O2 ! *:_:* LLNL *:_:*
+C6H103OOH1-2O2 ! *:_:* LLNL *:_:*
+C2H3COC3H7 ! *:_:* LLNL *:_:*
+C5H81-4 ! *:_:* LLNL *:_:*
+C5H91O2-3 ! *:_:* LLNL *:_:*
+C5H91O2-4 ! *:_:* LLNL *:_:*
+C5H91O2-5 ! *:_:* LLNL *:_:*
+C5H81OOH3-4 ! *:_:* LLNL *:_:*
+C5H81OOH3-5 ! *:_:* LLNL *:_:*
+C5H81OOH4-3 ! *:_:* LLNL *:_:*
+C5H81OOH4-5 ! *:_:* LLNL *:_:*
+C5H81OOH5-4 ! *:_:* LLNL *:_:*
+C5H81OOH5-3 ! *:_:* LLNL *:_:*
+C5H92O2-1 ! *:_:* LLNL *:_:*
+C5H81OOH3-4O2 ! *:_:* LLNL *:_:*
+C5H81OOH3-5O2 ! *:_:* LLNL *:_:*
+C5H81OOH4-3O2 ! *:_:* LLNL *:_:*
+C5H81OOH4-5O2 ! *:_:* LLNL *:_:*
+C5H81OOH5-3O2 ! *:_:* LLNL *:_:*
+C5H81OOH5-4O2 ! *:_:* LLNL *:_:*
+NC5D1KET34 ! *:_:* LLNL *:_:*
+NC5D1KET35 ! *:_:* LLNL *:_:*
+NC5D1KET43 ! *:_:* LLNL *:_:*
+NC5D1KET45 ! *:_:* LLNL *:_:*
+NC5D1KET53 ! *:_:* LLNL *:_:*
+NC5D1KET54 ! *:_:* LLNL *:_:*
+CY3C5H8O ! *:_:* LLNL *:_:*
+C5H92O2-4 ! *:_:* LLNL *:_:*
+C5H92O2-5 ! *:_:* LLNL *:_:*
+C5H82OOH4-5 ! *:_:* LLNL *:_:*
+C5H82OOH5-4 ! *:_:* LLNL *:_:*
+C5H82OOH4-5O2 ! *:_:* LLNL *:_:*
+C5H82OOH5-4O2 ! *:_:* LLNL *:_:*
+NC5D2KET45 ! *:_:* LLNL *:_:*
+NC5D2KET54 ! *:_:* LLNL *:_:*
+IC5H12 ! *:_:* LLNL *:_:*
+AC5H11 ! *:_:* LLNL *:_:*
+BC5H11 ! *:_:* LLNL *:_:*
+CC5H11 ! *:_:* LLNL *:_:*
+DC5H11 ! *:_:* LLNL *:_:*
+AC5H10 ! *:_:* LLNL *:_:*
+BC5H10 ! *:_:* LLNL *:_:*
+CC5H10 ! *:_:* LLNL *:_:*
+AC5H9-A2 ! *:_:* LLNL *:_:*
+AC5H9-C ! *:_:* LLNL *:_:*
+AC5H9-D ! *:_:* LLNL *:_:*
+CC5H9-A ! *:_:* LLNL *:_:*
+CC5H9-B ! *:_:* LLNL *:_:*
+AC5H9O-A2 ! *:_:* LLNL *:_:*
+AC5H9O-C ! *:_:* LLNL *:_:*
+CC5H9O-B ! *:_:* LLNL *:_:*
+AC5H11O2H ! *:_:* LLNL *:_:*
+BC5H11O2H ! *:_:* LLNL *:_:*
+CC5H11O2H ! *:_:* LLNL *:_:*
+DC5H11O2H ! *:_:* LLNL *:_:*
+AC5H11O2 ! *:_:* LLNL *:_:*
+BC5H11O2 ! *:_:* LLNL *:_:*
+CC5H11O2 ! *:_:* LLNL *:_:*
+DC5H11O2 ! *:_:* LLNL *:_:*
+AC5H11O ! *:_:* LLNL *:_:*
+BC5H11O ! *:_:* LLNL *:_:*
+CC5H11O ! *:_:* LLNL *:_:*
+DC5H11O ! *:_:* LLNL *:_:*
+AC5H10OOH-A ! *:_:* LLNL *:_:*
+AC5H10OOH-B ! *:_:* LLNL *:_:*
+AC5H10OOH-C ! *:_:* LLNL *:_:*
+AC5H10OOH-D ! *:_:* LLNL *:_:*
+BC5H10OOH-A ! *:_:* LLNL *:_:*
+BC5H10OOH-C ! *:_:* LLNL *:_:*
+BC5H10OOH-D ! *:_:* LLNL *:_:*
+CC5H10OOH-A ! *:_:* LLNL *:_:*
+CC5H10OOH-B ! *:_:* LLNL *:_:*
+CC5H10OOH-D ! *:_:* LLNL *:_:*
+DC5H10OOH-A ! *:_:* LLNL *:_:*
+DC5H10OOH-B ! *:_:* LLNL *:_:*
+DC5H10OOH-C ! *:_:* LLNL *:_:*
+A-AC5H10O ! *:_:* LLNL *:_:*
+A-BC5H10O ! *:_:* LLNL *:_:*
+A-CC5H10O ! *:_:* LLNL *:_:*
+A-DC5H10O ! *:_:* LLNL *:_:*
+B-CC5H10O ! *:_:* LLNL *:_:*
+B-DC5H10O ! *:_:* LLNL *:_:*
+C-DC5H10O ! *:_:* LLNL *:_:*
+AC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+AC5H10OOH-BO2 ! *:_:* LLNL *:_:*
+AC5H10OOH-CO2 ! *:_:* LLNL *:_:*
+AC5H10OOH-DO2 ! *:_:* LLNL *:_:*
+BC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+BC5H10OOH-CO2 ! *:_:* LLNL *:_:*
+BC5H10OOH-DO2 ! *:_:* LLNL *:_:*
+CC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+CC5H10OOH-BO2 ! *:_:* LLNL *:_:*
+CC5H10OOH-DO2 ! *:_:* LLNL *:_:*
+DC5H10OOH-AO2 ! *:_:* LLNL *:_:*
+DC5H10OOH-BO2 ! *:_:* LLNL *:_:*
+DC5H10OOH-CO2 ! *:_:* LLNL *:_:*
+IC5KETAA ! *:_:* LLNL *:_:*
+IC5KETAB ! *:_:* LLNL *:_:*
+IC5KETAC ! *:_:* LLNL *:_:*
+IC5KETAD ! *:_:* LLNL *:_:*
+IC5KETCA ! *:_:* LLNL *:_:*
+IC5KETCB ! *:_:* LLNL *:_:*
+IC5KETCD ! *:_:* LLNL *:_:*
+IC5KETDA ! *:_:* LLNL *:_:*
+IC5KETDB ! *:_:* LLNL *:_:*
+IC5KETDC ! *:_:* LLNL *:_:*
+AC5H10OH ! *:_:* LLNL *:_:*
+BC5H10OH ! *:_:* LLNL *:_:*
+CC5H10OH ! *:_:* LLNL *:_:*
+AO2C5H10OH ! *:_:* LLNL *:_:*
+BO2C5H10OH ! *:_:* LLNL *:_:*
+CO2C5H10OH ! *:_:* LLNL *:_:*
+CH3CHCHO ! *:_:* LLNL *:_:*
+IC3H5COCH3 ! *:_:* LLNL *:_:*
+IC3H5COCH2 ! *:_:* LLNL *:_:*
+AC3H4COCH3 ! *:_:* LLNL *:_:*
+IC6H14 ! *:_:* LLNL *:_:*
+AC6H13 ! *:_:* LLNL *:_:*
+BC6H13 ! *:_:* LLNL *:_:*
+CC6H13 ! *:_:* LLNL *:_:*
+DC6H13 ! *:_:* LLNL *:_:*
+EC6H13 ! *:_:* LLNL *:_:*
+AC6H12 ! *:_:* LLNL *:_:*
+BC6H12 ! *:_:* LLNL *:_:*
+CC6H12 ! *:_:* LLNL *:_:*
+DC6H12 ! *:_:* LLNL *:_:*
+AC6H11-A2 ! *:_:* LLNL *:_:*
+AC6H11-C ! *:_:* LLNL *:_:*
+AC6H11-D ! *:_:* LLNL *:_:*
+AC6H11-E ! *:_:* LLNL *:_:*
+BC6H11-E ! *:_:* LLNL *:_:*
+CC6H11-A ! *:_:* LLNL *:_:*
+CC6H11-B ! *:_:* LLNL *:_:*
+DC6H11-A ! *:_:* LLNL *:_:*
+DC6H11-B ! *:_:* LLNL *:_:*
+DC6H11-C ! *:_:* LLNL *:_:*
+AC6H11O-C ! *:_:* LLNL *:_:*
+CC6H11O-B ! *:_:* LLNL *:_:*
+DC6H11O-C ! *:_:* LLNL *:_:*
+AC6H13O2 ! *:_:* LLNL *:_:*
+BC6H13O2 ! *:_:* LLNL *:_:*
+CC6H13O2 ! *:_:* LLNL *:_:*
+DC6H13O2 ! *:_:* LLNL *:_:*
+EC6H13O2 ! *:_:* LLNL *:_:*
+AC6H13O2H ! *:_:* LLNL *:_:*
+BC6H13O2H ! *:_:* LLNL *:_:*
+CC6H13O2H ! *:_:* LLNL *:_:*
+DC6H13O2H ! *:_:* LLNL *:_:*
+EC6H13O2H ! *:_:* LLNL *:_:*
+AC6H13O ! *:_:* LLNL *:_:*
+BC6H13O ! *:_:* LLNL *:_:*
+CC6H13O ! *:_:* LLNL *:_:*
+DC6H13O ! *:_:* LLNL *:_:*
+EC6H13O ! *:_:* LLNL *:_:*
+AC6H12OOH-A ! *:_:* LLNL *:_:*
+AC6H12OOH-B ! *:_:* LLNL *:_:*
+AC6H12OOH-C ! *:_:* LLNL *:_:*
+AC6H12OOH-D ! *:_:* LLNL *:_:*
+AC6H12OOH-E ! *:_:* LLNL *:_:*
+BC6H12OOH-A ! *:_:* LLNL *:_:*
+BC6H12OOH-C ! *:_:* LLNL *:_:*
+BC6H12OOH-D ! *:_:* LLNL *:_:*
+BC6H12OOH-E ! *:_:* LLNL *:_:*
+CC6H12OOH-A ! *:_:* LLNL *:_:*
+CC6H12OOH-B ! *:_:* LLNL *:_:*
+CC6H12OOH-D ! *:_:* LLNL *:_:*
+CC6H12OOH-E ! *:_:* LLNL *:_:*
+DC6H12OOH-A ! *:_:* LLNL *:_:*
+DC6H12OOH-B ! *:_:* LLNL *:_:*
+DC6H12OOH-C ! *:_:* LLNL *:_:*
+DC6H12OOH-E ! *:_:* LLNL *:_:*
+EC6H12OOH-A ! *:_:* LLNL *:_:*
+EC6H12OOH-B ! *:_:* LLNL *:_:*
+EC6H12OOH-C ! *:_:* LLNL *:_:*
+EC6H12OOH-D ! *:_:* LLNL *:_:*
+A-AC6H12O ! *:_:* LLNL *:_:*
+A-BC6H12O ! *:_:* LLNL *:_:*
+A-CC6H12O ! *:_:* LLNL *:_:*
+A-DC6H12O ! *:_:* LLNL *:_:*
+A-EC6H12O ! *:_:* LLNL *:_:*
+B-CC6H12O ! *:_:* LLNL *:_:*
+B-DC6H12O ! *:_:* LLNL *:_:*
+B-EC6H12O ! *:_:* LLNL *:_:*
+C-DC6H12O ! *:_:* LLNL *:_:*
+C-EC6H12O ! *:_:* LLNL *:_:*
+D-EC6H12O ! *:_:* LLNL *:_:*
+AC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+AC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+BC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+CC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+DC6H12OOH-EO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-AO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-BO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-CO2 ! *:_:* LLNL *:_:*
+EC6H12OOH-DO2 ! *:_:* LLNL *:_:*
+IC6KETAA ! *:_:* LLNL *:_:*
+IC6KETAB ! *:_:* LLNL *:_:*
+IC6KETAC ! *:_:* LLNL *:_:*
+IC6KETAD ! *:_:* LLNL *:_:*
+IC6KETAE ! *:_:* LLNL *:_:*
+IC6KETCA ! *:_:* LLNL *:_:*
+IC6KETCB ! *:_:* LLNL *:_:*
+IC6KETCD ! *:_:* LLNL *:_:*
+IC6KETCE ! *:_:* LLNL *:_:*
+IC6KETDA ! *:_:* LLNL *:_:*
+IC6KETDB ! *:_:* LLNL *:_:*
+IC6KETDC ! *:_:* LLNL *:_:*
+IC6KETDE ! *:_:* LLNL *:_:*
+IC6KETEA ! *:_:* LLNL *:_:*
+IC6KETEB ! *:_:* LLNL *:_:*
+IC6KETEC ! *:_:* LLNL *:_:*
+IC6KETED ! *:_:* LLNL *:_:*
+AC6H12OH ! *:_:* LLNL *:_:*
+BC6H12OH ! *:_:* LLNL *:_:*
+CC6H12OH ! *:_:* LLNL *:_:*
+DC6H12OH ! *:_:* LLNL *:_:*
+AO2C6H12OH ! *:_:* LLNL *:_:*
+BO2C6H12OH ! *:_:* LLNL *:_:*
+CO2C6H12OH ! *:_:* LLNL *:_:*
+DO2C6H12OH ! *:_:* LLNL *:_:*
+NC4H9CHO-2 ! *:_:* LLNL *:_:*
+NC4H9CO-2 ! *:_:* LLNL *:_:*
+C4H8CHO1-2 ! *:_:* LLNL *:_:*
+C4H8CHO2-2 ! *:_:* LLNL *:_:*
+C4H8CHO3-2 ! *:_:* LLNL *:_:*
+C4H8CHO4-2 ! *:_:* LLNL *:_:*
+IC4H9CHO ! *:_:* LLNL *:_:*
+IC4H9CO ! *:_:* LLNL *:_:*
+IC3H6CH2CHO ! *:_:* LLNL *:_:*
+TC3H6CH2CHO ! *:_:* LLNL *:_:*
+IC3H7CHCHO ! *:_:* LLNL *:_:*
+IC5H11CHO ! *:_:* LLNL *:_:*
+IC5H11CO ! *:_:* LLNL *:_:*
+AC5H10CHO ! *:_:* LLNL *:_:*
+BC5H10CHO ! *:_:* LLNL *:_:*
+CC5H10CHO ! *:_:* LLNL *:_:*
+DC5H10CHO ! *:_:* LLNL *:_:*
+C4H7CHO2-1 ! *:_:* LLNL *:_:*
+C4H7CO2-1 ! *:_:* LLNL *:_:*
+C4H6CHO2-11 ! *:_:* LLNL *:_:*
+NC5H11CHO-2 ! *:_:* LLNL *:_:*
+NC5H11CO-2 ! *:_:* LLNL *:_:*
+C5H10CHO1-2 ! *:_:* LLNL *:_:*
+C5H10CHO2-2 ! *:_:* LLNL *:_:*
+C5H10CHO3-2 ! *:_:* LLNL *:_:*
+C5H10CHO4-2 ! *:_:* LLNL *:_:*
+C5H10CHO5-2 ! *:_:* LLNL *:_:*
+IC4H9COCH3 ! *:_:* LLNL *:_:*
+IC4H9COCH2 ! *:_:* LLNL *:_:*
+IC3H6CH2COCH3 ! *:_:* LLNL *:_:*
+IC3H7CHCOCH3 ! *:_:* LLNL *:_:*
+TC3H6CH2COCH3 ! *:_:* LLNL *:_:*
+IC3H7COC2H5 ! *:_:* LLNL *:_:*
+IC3H6COC2H5 ! *:_:* LLNL *:_:*
+TC3H6COC2H5 ! *:_:* LLNL *:_:*
+IC3H7COC2H4P ! *:_:* LLNL *:_:*
+IC3H7COC2H4S ! *:_:* LLNL *:_:*
+IC3H5COC2H5 ! *:_:* LLNL *:_:*
+AC3H4COC2H5 ! *:_:* LLNL *:_:*
+IC3H5COC2H4P ! *:_:* LLNL *:_:*
+IC3H5COC2H4S ! *:_:* LLNL *:_:*
+IC3H7COCH3 ! *:_:* LLNL *:_:*
+IC3H7COCH2 ! *:_:* LLNL *:_:*
+IC3H6COCH3 ! *:_:* LLNL *:_:*
+TC3H6COCH3 ! *:_:* LLNL *:_:*
+C5H91-2 ! *:_:* LLNL *:_:*
+IC5H8 ! *:_:* LLNL *:_:*
+IC5H7 ! *:_:* LLNL *:_:*
+IC5H7O ! *:_:* LLNL *:_:*
+IC4H7-I1 ! *:_:* LLNL *:_:*
+C7H16-24 ! *:_:* LLNL *:_:*
+XC7H15 ! *:_:* LLNL *:_:*
+YC7H15 ! *:_:* LLNL *:_:*
+ZC7H15 ! *:_:* LLNL *:_:*
+XC7H14 ! *:_:* LLNL *:_:*
+YC7H14 ! *:_:* LLNL *:_:*
+XC7H13-X1 ! *:_:* LLNL *:_:*
+XC7H13-Z ! *:_:* LLNL *:_:*
+XC7H13-X2 ! *:_:* LLNL *:_:*
+XC7H13-Y2 ! *:_:* LLNL *:_:*
+YC7H13-Y2 ! *:_:* LLNL *:_:*
+YC7H13-X2 ! *:_:* LLNL *:_:*
+XC7H13O-Z ! *:_:* LLNL *:_:*
+YC7H13O-Y2 ! *:_:* LLNL *:_:*
+XC7H15O2 ! *:_:* LLNL *:_:*
+YC7H15O2 ! *:_:* LLNL *:_:*
+ZC7H15O2 ! *:_:* LLNL *:_:*
+XC7H15O2H ! *:_:* LLNL *:_:*
+YC7H15O2H ! *:_:* LLNL *:_:*
+ZC7H15O2H ! *:_:* LLNL *:_:*
+XC7H15O ! *:_:* LLNL *:_:*
+YC7H15O ! *:_:* LLNL *:_:*
+ZC7H15O ! *:_:* LLNL *:_:*
+XC7H14OOH-X1 ! *:_:* LLNL *:_:*
+XC7H14OOH-Y1 ! *:_:* LLNL *:_:*
+XC7H14OOH-Z ! *:_:* LLNL *:_:*
+XC7H14OOH-Y2 ! *:_:* LLNL *:_:*
+XC7H14OOH-X2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X1 ! *:_:* LLNL *:_:*
+YC7H14OOH-Z ! *:_:* LLNL *:_:*
+YC7H14OOH-Y2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X2 ! *:_:* LLNL *:_:*
+ZC7H14OOH-X ! *:_:* LLNL *:_:*
+ZC7H14OOH-Y ! *:_:* LLNL *:_:*
+XC7H14OOH-X1O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-X2O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-Y1O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-Y2O2 ! *:_:* LLNL *:_:*
+XC7H14OOH-ZO2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X1O2 ! *:_:* LLNL *:_:*
+YC7H14OOH-X2O2 ! *:_:* LLNL *:_:*
+YC7H14OOH-Y2O2 ! *:_:* LLNL *:_:*
+YC7H14OOH-ZO2 ! *:_:* LLNL *:_:*
+ZC7H14OOH-XO2 ! *:_:* LLNL *:_:*
+ZC7H14OOH-YO2 ! *:_:* LLNL *:_:*
+X-X1C7H14O ! *:_:* LLNL *:_:*
+X-X2C7H14O ! *:_:* LLNL *:_:*
+X-Y1C7H14O ! *:_:* LLNL *:_:*
+X-Y2C7H14O ! *:_:* LLNL *:_:*
+X-ZC7H14O ! *:_:* LLNL *:_:*
+Y-YC7H14O ! *:_:* LLNL *:_:*
+Y-ZC7H14O ! *:_:* LLNL *:_:*
+C7KET24XX1 ! *:_:* LLNL *:_:*
+C7KET24XY1 ! *:_:* LLNL *:_:*
+C7KET24XZ ! *:_:* LLNL *:_:*
+C7KET24XY2 ! *:_:* LLNL *:_:*
+C7KET24XX2 ! *:_:* LLNL *:_:*
+C7KET24ZX ! *:_:* LLNL *:_:*
+C7KET24ZY ! *:_:* LLNL *:_:*
+XC7H14OH ! *:_:* LLNL *:_:*
+YC7H14OH ! *:_:* LLNL *:_:*
+XO2C7H14OH ! *:_:* LLNL *:_:*
+YO2C7H14OH ! *:_:* LLNL *:_:*
+ACC6H10 ! *:_:* LLNL *:_:*
+ACC6H9-A ! *:_:* LLNL *:_:*
+ACC6H9-D ! *:_:* LLNL *:_:*
+NEOC5H12 ! *:_:* LLNL *:_:*
+NEOC5H11 ! *:_:* LLNL *:_:*
+NEOC5H11O2H ! *:_:* LLNL *:_:*
+NEOC5H11O2 ! *:_:* LLNL *:_:*
+NEOC5H11O ! *:_:* LLNL *:_:*
+NEOC5H10OOH ! *:_:* LLNL *:_:*
+NEO-C5H10O ! *:_:* LLNL *:_:*
+NEOC5H10OOH-O2 ! *:_:* LLNL *:_:*
+NEOC5H9Q2 ! *:_:* LLNL *:_:*
+NEOC5H9Q2-N ! *:_:* LLNL *:_:*
+NEOC5KET ! *:_:* LLNL *:_:*
+NEOC5KETOX ! *:_:* LLNL *:_:*
+NEOC5KEJOL ! *:_:* LLNL *:_:*
+IC4H6Q2-II ! *:_:* LLNL *:_:*
+NEOC6H14 ! *:_:* LLNL *:_:*
+FC6H13 ! *:_:* LLNL *:_:*
+GC6H13 ! *:_:* LLNL *:_:*
+HC6H13 ! *:_:* LLNL *:_:*
+NEOC6H12 ! *:_:* LLNL *:_:*
+NEOC6H11 ! *:_:* LLNL *:_:*
+FC6H13O2 ! *:_:* LLNL *:_:*
+GC6H13O2 ! *:_:* LLNL *:_:*
+HC6H13O2 ! *:_:* LLNL *:_:*
+FC6H13O2H ! *:_:* LLNL *:_:*
+GC6H13O2H ! *:_:* LLNL *:_:*
+HC6H13O2H ! *:_:* LLNL *:_:*
+FC6H13O ! *:_:* LLNL *:_:*
+GC6H13O ! *:_:* LLNL *:_:*
+HC6H13O ! *:_:* LLNL *:_:*
+FC6H12OOH-F ! *:_:* LLNL *:_:*
+FC6H12OOH-G ! *:_:* LLNL *:_:*
+FC6H12OOH-H ! *:_:* LLNL *:_:*
+GC6H12OOH-F ! *:_:* LLNL *:_:*
+GC6H12OOH-H ! *:_:* LLNL *:_:*
+HC6H12OOH-F ! *:_:* LLNL *:_:*
+HC6H12OOH-G ! *:_:* LLNL *:_:*
+FC6H12OOH-FO2 ! *:_:* LLNL *:_:*
+FC6H12OOH-GO2 ! *:_:* LLNL *:_:*
+FC6H12OOH-HO2 ! *:_:* LLNL *:_:*
+GC6H12OOH-FO2 ! *:_:* LLNL *:_:*
+GC6H12OOH-HO2 ! *:_:* LLNL *:_:*
+HC6H12OOH-FO2 ! *:_:* LLNL *:_:*
+HC6H12OOH-GO2 ! *:_:* LLNL *:_:*
+F-FC6H12O ! *:_:* LLNL *:_:*
+F-GC6H12O ! *:_:* LLNL *:_:*
+F-HC6H12O ! *:_:* LLNL *:_:*
+G-HC6H12O ! *:_:* LLNL *:_:*
+NEOC6KETFF ! *:_:* LLNL *:_:*
+NEOC6KETFG ! *:_:* LLNL *:_:*
+NEOC6KETFH ! *:_:* LLNL *:_:*
+NEOC6KETGF ! *:_:* LLNL *:_:*
+NEOC6KETGH ! *:_:* LLNL *:_:*
+NEOC6KETHF ! *:_:* LLNL *:_:*
+NEOC6KETHG ! *:_:* LLNL *:_:*
+NEOC6H12OH ! *:_:* LLNL *:_:*
+NEOO2C6H12OH ! *:_:* LLNL *:_:*
+TC4H9CHO ! *:_:* LLNL *:_:*
+TC4H9CO ! *:_:* LLNL *:_:*
+NEOC5H11CHO ! *:_:* LLNL *:_:*
+NEOC5H11CO ! *:_:* LLNL *:_:*
+TC4H9CHCHO ! *:_:* LLNL *:_:*
+TC4H8CH2CHO ! *:_:* LLNL *:_:*
+IC4H7CHO ! *:_:* LLNL *:_:*
+IC4H7CO ! *:_:* LLNL *:_:*
+AC3H4CH2CHO ! *:_:* LLNL *:_:*
+IC3H5CHCHO ! *:_:* LLNL *:_:*
+IC5H11CHO-B ! *:_:* LLNL *:_:*
+IC5H11CO-B ! *:_:* LLNL *:_:*
+IC5H10CHO-BA ! *:_:* LLNL *:_:*
+IC5H10CHO-BC ! *:_:* LLNL *:_:*
+IC5H10CHO-BD ! *:_:* LLNL *:_:*
+C4H7CHO1-2 ! *:_:* LLNL *:_:*
+C4H7CO1-2 ! *:_:* LLNL *:_:*
+C4H6CHO1-23 ! *:_:* LLNL *:_:*
+C4H6CHO1-24 ! *:_:* LLNL *:_:*
+C4H7CHO2-2 ! *:_:* LLNL *:_:*
+C4H7CO2-2 ! *:_:* LLNL *:_:*
+C4H6CHO2-21 ! *:_:* LLNL *:_:*
+C4H6CHO2-24 ! *:_:* LLNL *:_:*
+TC4H9COCH3 ! *:_:* LLNL *:_:*
+TC4H9COCH2 ! *:_:* LLNL *:_:*
+TC4H8COCH3 ! *:_:* LLNL *:_:*
+CH2CCHO ! *:_:* LLNL *:_:*
+IC3H6CHCHO ! *:_:* LLNL *:_:*
+IC3H6CHCO ! *:_:* LLNL *:_:*
+AC3H5CHCHO ! *:_:* LLNL *:_:*
+AC5H9-A1 ! *:_:* LLNL *:_:*
+NEOC7H16 ! *:_:* LLNL *:_:*
+NC7H15 ! *:_:* LLNL *:_:*
+OC7H15 ! *:_:* LLNL *:_:*
+PC7H15 ! *:_:* LLNL *:_:*
+QC7H15 ! *:_:* LLNL *:_:*
+OC7H14 ! *:_:* LLNL *:_:*
+PC7H14 ! *:_:* LLNL *:_:*
+OC7H13-N ! *:_:* LLNL *:_:*
+PC7H13-N ! *:_:* LLNL *:_:*
+PC7H13-O ! *:_:* LLNL *:_:*
+PC7H13O-O ! *:_:* LLNL *:_:*
+NC7H15O2 ! *:_:* LLNL *:_:*
+OC7H15O2 ! *:_:* LLNL *:_:*
+PC7H15O2 ! *:_:* LLNL *:_:*
+QC7H15O2 ! *:_:* LLNL *:_:*
+NC7H15O2H ! *:_:* LLNL *:_:*
+OC7H15O2H ! *:_:* LLNL *:_:*
+PC7H15O2H ! *:_:* LLNL *:_:*
+QC7H15O2H ! *:_:* LLNL *:_:*
+NC7H15O ! *:_:* LLNL *:_:*
+OC7H15O ! *:_:* LLNL *:_:*
+PC7H15O ! *:_:* LLNL *:_:*
+QC7H15O ! *:_:* LLNL *:_:*
+NC7H14OOH-N2 ! *:_:* LLNL *:_:*
+NC7H14OOH-Q ! *:_:* LLNL *:_:*
+QC7H14OOH-N ! *:_:* LLNL *:_:*
+NC7H14OOH-O ! *:_:* LLNL *:_:*
+NC7H14OOH-P ! *:_:* LLNL *:_:*
+QC7H14OOH-O ! *:_:* LLNL *:_:*
+QC7H14OOH-P ! *:_:* LLNL *:_:*
+OC7H14OOH-N ! *:_:* LLNL *:_:*
+OC7H14OOH-Q ! *:_:* LLNL *:_:*
+PC7H14OOH-N ! *:_:* LLNL *:_:*
+PC7H14OOH-Q ! *:_:* LLNL *:_:*
+OC7H14OOH-P ! *:_:* LLNL *:_:*
+PC7H14OOH-O ! *:_:* LLNL *:_:*
+NC7H14OOH-N2O2 ! *:_:* LLNL *:_:*
+NC7H14OOH-QO2 ! *:_:* LLNL *:_:*
+QC7H14OOH-NO2 ! *:_:* LLNL *:_:*
+NC7H14OOH-OO2 ! *:_:* LLNL *:_:*
+NC7H14OOH-PO2 ! *:_:* LLNL *:_:*
+QC7H14OOH-OO2 ! *:_:* LLNL *:_:*
+QC7H14OOH-PO2 ! *:_:* LLNL *:_:*
+OC7H14OOH-NO2 ! *:_:* LLNL *:_:*
+OC7H14OOH-QO2 ! *:_:* LLNL *:_:*
+PC7H14OOH-NO2 ! *:_:* LLNL *:_:*
+PC7H14OOH-QO2 ! *:_:* LLNL *:_:*
+OC7H14OOH-PO2 ! *:_:* LLNL *:_:*
+PC7H14OOH-OO2 ! *:_:* LLNL *:_:*
+N-NC7H14O ! *:_:* LLNL *:_:*
+N-OC7H14O ! *:_:* LLNL *:_:*
+N-PC7H14O ! *:_:* LLNL *:_:*
+N-QC7H14O ! *:_:* LLNL *:_:*
+O-PC7H14O ! *:_:* LLNL *:_:*
+O-QC7H14O ! *:_:* LLNL *:_:*
+P-QC7H14O ! *:_:* LLNL *:_:*
+NEOC7KETNN ! *:_:* LLNL *:_:*
+NEOC7KETNO ! *:_:* LLNL *:_:*
+NEOC7KETNP ! *:_:* LLNL *:_:*
+NEOC7KETNQ ! *:_:* LLNL *:_:*
+NEOC7KETON ! *:_:* LLNL *:_:*
+NEOC7KETOP ! *:_:* LLNL *:_:*
+NEOC7KETOQ ! *:_:* LLNL *:_:*
+NEOC7KETPN ! *:_:* LLNL *:_:*
+NEOC7KETPO ! *:_:* LLNL *:_:*
+NEOC7KETPQ ! *:_:* LLNL *:_:*
+NEOC7KETQN ! *:_:* LLNL *:_:*
+NEOC7KETQO ! *:_:* LLNL *:_:*
+NEOC7KETQP ! *:_:* LLNL *:_:*
+OC7H14OH ! *:_:* LLNL *:_:*
+PC7H14OH ! *:_:* LLNL *:_:*
+OO2C7H14OH ! *:_:* LLNL *:_:*
+PO2C7H14OH ! *:_:* LLNL *:_:*
+IC8H18 ! *:_:* LLNL *:_:*
+AC8H17 ! *:_:* LLNL *:_:*
+BC8H17 ! *:_:* LLNL *:_:*
+CC8H17 ! *:_:* LLNL *:_:*
+DC8H17 ! *:_:* LLNL *:_:*
+IC8H16 ! *:_:* LLNL *:_:*
+JC8H16 ! *:_:* LLNL *:_:*
+IC8H15 ! *:_:* LLNL *:_:*
+AC8H17O2 ! *:_:* LLNL *:_:*
+BC8H17O2 ! *:_:* LLNL *:_:*
+CC8H17O2 ! *:_:* LLNL *:_:*
+DC8H17O2 ! *:_:* LLNL *:_:*
+AC8H17O2H ! *:_:* LLNL *:_:*
+BC8H17O2H ! *:_:* LLNL *:_:*
+CC8H17O2H ! *:_:* LLNL *:_:*
+DC8H17O2H ! *:_:* LLNL *:_:*
+AC8H17O ! *:_:* LLNL *:_:*
+BC8H17O ! *:_:* LLNL *:_:*
+CC8H17O ! *:_:* LLNL *:_:*
+DC8H17O ! *:_:* LLNL *:_:*
+AC8H16OOH-A ! *:_:* LLNL *:_:*
+AC8H16OOH-B ! *:_:* LLNL *:_:*
+AC8H16OOH-C ! *:_:* LLNL *:_:*
+AC8H16OOH-D ! *:_:* LLNL *:_:*
+BC8H16OOH-C ! *:_:* LLNL *:_:*
+BC8H16OOH-A ! *:_:* LLNL *:_:*
+BC8H16OOH-D ! *:_:* LLNL *:_:*
+CC8H16OOH-D ! *:_:* LLNL *:_:*
+CC8H16OOH-B ! *:_:* LLNL *:_:*
+CC8H16OOH-A ! *:_:* LLNL *:_:*
+DC8H16OOH-C ! *:_:* LLNL *:_:*
+DC8H16OOH-D ! *:_:* LLNL *:_:*
+DC8H16OOH-B ! *:_:* LLNL *:_:*
+DC8H16OOH-A ! *:_:* LLNL *:_:*
+IC8ETERAA ! *:_:* LLNL *:_:*
+IC8ETERAB ! *:_:* LLNL *:_:*
+IC8ETERAC ! *:_:* LLNL *:_:*
+IC8ETERAD ! *:_:* LLNL *:_:*
+IC8ETERBC ! *:_:* LLNL *:_:*
+IC8ETERBD ! *:_:* LLNL *:_:*
+IC8ETERCD ! *:_:* LLNL *:_:*
+IC8ETERDD ! *:_:* LLNL *:_:*
+AC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+AC8H16OOH-BO2 ! *:_:* LLNL *:_:*
+AC8H16OOH-CO2 ! *:_:* LLNL *:_:*
+AC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+BC8H16OOH-CO2 ! *:_:* LLNL *:_:*
+BC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+BC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+CC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+CC8H16OOH-BO2 ! *:_:* LLNL *:_:*
+CC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-CO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-DO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-BO2 ! *:_:* LLNL *:_:*
+DC8H16OOH-AO2 ! *:_:* LLNL *:_:*
+IC8KETAA ! *:_:* LLNL *:_:*
+IC8KETAB ! *:_:* LLNL *:_:*
+IC8KETAC ! *:_:* LLNL *:_:*
+IC8KETAD ! *:_:* LLNL *:_:*
+IC8KETBA ! *:_:* LLNL *:_:*
+IC8KETBC ! *:_:* LLNL *:_:*
+IC8KETBD ! *:_:* LLNL *:_:*
+IC8KETDA ! *:_:* LLNL *:_:*
+IC8KETDB ! *:_:* LLNL *:_:*
+IC8KETDC ! *:_:* LLNL *:_:*
+IC8KETDD ! *:_:* LLNL *:_:*
+CC8H16OH-B ! *:_:* LLNL *:_:*
+BC8H16OH-C ! *:_:* LLNL *:_:*
+CC8H16OH-BO2 ! *:_:* LLNL *:_:*
+CC8H16O-BO2H ! *:_:* LLNL *:_:*
+CC8H16OH-D ! *:_:* LLNL *:_:*
+DC8H16OH-C ! *:_:* LLNL *:_:*
+BC8H16OH-CO2 ! *:_:* LLNL *:_:*
+BC8H16O-CO2H ! *:_:* LLNL *:_:*
+CC8H16OH-DO2 ! *:_:* LLNL *:_:*
+CC8H16O-DO2H ! *:_:* LLNL *:_:*
+DC8H16OH-CO2 ! *:_:* LLNL *:_:*
+DC8H16O-CO2H ! *:_:* LLNL *:_:*
+IC6H13CHO-B ! *:_:* LLNL *:_:*
+IC6H13CO-B ! *:_:* LLNL *:_:*
+AC6H12CHO-B ! *:_:* LLNL *:_:*
+CC6H12CHO-B ! *:_:* LLNL *:_:*
+DC6H12CHO-B ! *:_:* LLNL *:_:*
+EC6H12CHO-B ! *:_:* LLNL *:_:*
+IC6H13CHO-D ! *:_:* LLNL *:_:*
+IC6H13CO-D ! *:_:* LLNL *:_:*
+AC6H12CHO-D ! *:_:* LLNL *:_:*
+BC6H12CHO-D ! *:_:* LLNL *:_:*
+CC6H12CHO-D ! *:_:* LLNL *:_:*
+DC6H12CHO-D ! *:_:* LLNL *:_:*
+EC6H12CHO-D ! *:_:* LLNL *:_:*
+IC3H7COC3H7-I ! *:_:* LLNL *:_:*
+IC3H7COC3H6-I ! *:_:* LLNL *:_:*
+IC3H7COC3H6-T ! *:_:* LLNL *:_:*
+TC4H9COC2H5 ! *:_:* LLNL *:_:*
+TC4H8COC2H5 ! *:_:* LLNL *:_:*
+TC4H9COC2H4S ! *:_:* LLNL *:_:*
+TC4H9COC2H4P ! *:_:* LLNL *:_:*
+NEOC5H11COCH3 ! *:_:* LLNL *:_:*
+NEOC5H10COCH3 ! *:_:* LLNL *:_:*
+TC4H9CHCOCH3 ! *:_:* LLNL *:_:*
+NEOC5H11COCH2 ! *:_:* LLNL *:_:*
+NEOC6H13CHO ! *:_:* LLNL *:_:*
+NEOC6H13CO ! *:_:* LLNL *:_:*
+FC6H12CHO ! *:_:* LLNL *:_:*
+GC6H12CHO ! *:_:* LLNL *:_:*
+HC6H12CHO ! *:_:* LLNL *:_:*
+IC4H7COCH3 ! *:_:* LLNL *:_:*
+IC4H7COCH2 ! *:_:* LLNL *:_:*
+IC3H5CHCOCH3 ! *:_:* LLNL *:_:*
+AC3H4CH2COCH3 ! *:_:* LLNL *:_:*
+XC7H13OOH-X1 ! *:_:* LLNL *:_:*
+XC7H13O-X1 ! *:_:* LLNL *:_:*
+YC7H13OOH-X1 ! *:_:* LLNL *:_:*
+YC7H13O-X1 ! *:_:* LLNL *:_:*
+OC7H13OOH-N ! *:_:* LLNL *:_:*
+OC7H13O-N ! *:_:* LLNL *:_:*
+XC7H13OOH-Z ! *:_:* LLNL *:_:*
+PC7H13OOH-O ! *:_:* LLNL *:_:*
+OC7H13OOH-Q ! *:_:* LLNL *:_:*
+OC7H13O-Q ! *:_:* LLNL *:_:*
+XC7H13OOH-Y2 ! *:_:* LLNL *:_:*
+XC7H13O-Y2 ! *:_:* LLNL *:_:*
+YC7H13OOH-X2 ! *:_:* LLNL *:_:*
+YC7H13O-X2 ! *:_:* LLNL *:_:*
+CC6H11-D ! *:_:* LLNL *:_:*
+DC6H11-D ! *:_:* LLNL *:_:*
+IC3H6CHCOCH3 ! *:_:* LLNL *:_:*
+AC3H5CHCOCH3 ! *:_:* LLNL *:_:*
+IC3H6CHCOCH2 ! *:_:* LLNL *:_:*
+C7H6 ! *:_:* LLNL *:_:*
+RODC6JDO ! *:_:* LLNL *:_:*
+OXCCXCCJXO ! *:_:* LLNL *:_:*
+BICPD ! *:_:* LLNL *:_:*
+C6JYOO ! *:_:* LLNL *:_:*
+DICYPD ! *:_:* LLNL *:_:*
+CYC5H9 ! *:_:* LLNL *:_:*
+BICPDJ ! *:_:* LLNL *:_:*
+CXCC(C#C)XC ! *:_:* LLNL *:_:*
+HCOCJXO ! *:_:* LLNL *:_:*
+CJXCCXCXO ! *:_:* LLNL *:_:*
+CXCCCJXO ! *:_:* LLNL *:_:*
+CXCCCO2J ! *:_:* LLNL *:_:*
+OXCCXCCXO ! *:_:* LLNL *:_:*
+OXCCXCCJCXO ! *:_:* LLNL *:_:*
+CYC5H8 ! *:_:* LLNL *:_:*
+CH2CY24PD ! *:_:* LLNL *:_:*
+CYC6H7 ! *:_:* LLNL *:_:*
+LINC6H7 ! *:_:* LLNL *:_:*
+CPDOOH ! *:_:* LLNL *:_:*
+XYLENE ! *:_:* LLNL *:_:*
+CXOCCXO ! *:_:* LLNL *:_:*
+CPDCXC ! *:_:* LLNL *:_:*
+FULVENYL ! *:_:* LLNL *:_:*
+CPDJCH3 ! *:_:* LLNL *:_:*
+CXOCJCXO ! *:_:* LLNL *:_:*
+C12H10 ! *:_:* LLNL *:_:*
+O2C6H4CH3 ! *:_:* LLNL *:_:*
+RODC6J(C)DO ! *:_:* LLNL *:_:*
+OCCXCCXCJC ! *:_:* LLNL *:_:*
+C6H4 ! *:_:* LLNL *:_:*
+OC6H4CH2 ! *:_:* LLNL *:_:*
+CR1 ! *:_:* LLNL *:_:*
+CR2 ! *:_:* LLNL *:_:*
+CR5 ! *:_:* LLNL *:_:*
+END
+REACTIONS
+2C2H3=C3H3+CH3 +1.800E+13 +0.000 +0.0 ! *:_:* AA *:_:* CJP 091699 ADJ
+C2H+CH3=C3H3+H +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2004 MM /3
+C3H2+C3H3=O-C6H4+H +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C3H3+OH=C3H2+H2O +2.000E+13 +0.000 +8000.0 ! *:_:* AA *:_:* JAM 2007
+C3H3+OH=CH2O+C2H2 +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007
+C3H3+OH=C2H3+HCO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007
+C3H3+OH=C2H4+CO +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007 !!MM X2
+C3H3+OH=C3H2(S)+H2O +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM 2007
+C3H3+CH=NC4H3+H +7.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C4H4+OH=CH2O+C3H3 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C3H3+H=C3H2+H2 +2.140E+05 +2.520 +7453.0 ! *:_:* AA *:_:* ABSTRACTION
+C3H3+H=C3H2(S)+H2 +2.951E+09 +1.280 +13474.0 ! *:_:* AA *:_:* BPICK JUL03
+ PLOG /0.03947 2.9512E+09 1.28 13474./
+ PLOG /1. 1.0965E+10 1.13 13929./
+ PLOG /10. 3.3113E+13 0.195 17579./
+C3H3+H=CC3H4 +8.912E+112 -28.260 +83611.0 ! *:_:* AA *:_:* BPICK JUL03
+ PLOG /0.03947 8.9125E+112 -28.26 83611./
+ PLOG /1. 1.0715E+21 -2.95 2687./
+ PLOG /10. 3.2359E+18 -2.05 2053./
+C4H5-2+OH=CH2OH+C3H3 +3.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C4H5-2+O=CH2O+C3H3 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* JAM
+C4H6+C3H3=C4H5-2+C3H4-A +5.000E+12 +0.000 +19500.0 ! *:_:* AA *:_:* LASKINET AL. 2000
+2C3H3=FULVENE +7.250E+65 -16.015 +25035.0 ! *:_:* AA *:_:*
+ DUP
+2C3H3=FULVENE +4.190E+39 -8.958 +6098.0 ! *:_:* AA *:_:*
+ DUP
+2C3H3=C6H6 +1.640E+66 -15.902 +27529.0 ! *:_:* AA *:_:*
+ DUP
+2C3H3=C6H6 +1.200E+35 -7.435 +5058.0 ! *:_:* AA *:_:*
+ DUP
+2C3H3=C6H5+H +1.047E+54 -11.880 +28757.0 ! *:_:* AA *:_:* BPICK JUL03
+ PLOG /0.03947 1.0467E+54 -11.88 28757./
+ PLOG /1. 1.6975E+48 -9.977 36755./
+ PLOG /10. 3.6712E+26 -3.879 28963./
+C3H3+C3H5-A=>FULVENE+2H +3.260E+29 -5.397 +3390.0 ! *:_:* AA *:_:* JAM, YG, ET AL 2007
+C3H3+C6H5CH2J=NAPH+2H +6.030E+11 +0.000 +0.0 ! *:_:* AA *:_:* !! CST-NEW
+NC4H3+C2H3=2C3H3 +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM6
+C4H5-2+C2H=2C3H3 +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM6
+C4H5+C3H3=C6H5CH2J+H +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM (MARINOV)
+C4H5+C3H3=C6H5CH3 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* JAM( MARINOV)
+C4H2+OH=CO+C3H3 +2.580E+19 -2.440 +3034.0 ! *:_:* AA *:_:* PROC COMB INST 31 185-193 (2007)
+C6H6+H=FULVENE+H +8.430E+32 -4.950 +51244.0 ! *:_:* AA *:_:*
+FULVENE=C6H6 +2.950E+31 -4.970 +88470.0 ! *:_:* AA *:_:* PITZ2001
+FULVENE=C6H5+H +8.510E+24 -2.510 +113300.0 ! *:_:* AA *:_:* PITZ2001
+H+O2=O+OH +1.040E+14 +0.000 +15286.0 ! *:_:* AA *:_:*
+O+H2=H+OH +5.080E+04 +2.670 +6292.0 ! *:_:* AA *:_:*
+OH+H2=H+H2O +4.380E+13 +0.000 +6990.0 ! *:_:* AA *:_:*
+O+H2O=2OH +2.970E+06 +2.020 +13400.0 ! *:_:* AA *:_:*
+H2+M=2H+M +4.577E+19 -1.400 +104400.0 ! *:_:* AA *:_:*
+ H2/ 2.50/ H2O/ 12.00/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.83/ CH4/ 2.00/ C2H6/ 3.00/
+2O+M=O2+M +6.165E+15 -0.500 +0.0 ! *:_:* AA *:_:*
+ H2/ 2.50/ H2O/ 12.00/ AR/ 0.83/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.83/ CH4/ 2.00/ C2H6/ 3.00/
+O+H+M=OH+M +4.714E+18 -1.000 +0.0 ! *:_:* AA *:_:*
+ H2/ 2.50/ H2O/ 12.00/ AR/ 0.75/ CO/ 1.50/ CO2/ 2.00/ HE/ 0.75/ CH4/ 2.00/ C2H6/ 3.00/
+H+OH+M=H2O+M +3.500E+22 -2.000 +0.0 ! *:_:* AA *:_:*
+ H2/ 0.73/ H2O/ 3.65/ CH4/ 2.00/ C2H6/ 3.00/ AR/ 0.38/
+H+O2(+M)=HO2(+M) +4.650E+12 +0.440 +0.0 ! *:_:* AA *:_:*
+ LOW/ 1.737E+019 -1.230 0.0/
+ TROE/ 6.700E-001 1.000E-030 1.000E+030 1.000E+030/
+ H2/ 1.30/ CO/ 1.90/ CO2/ 3.80/ HE/ 0.00/ H2O/ 10.00/ AR/ 0.00/ CH4/ 2.00/ C2H6/ 3.00/
+H+O2(+AR)=HO2(+AR) +4.650E+12 +0.440 +0.0 ! *:_:* AA *:_:*
+ LOW/ 6.810E+018 -1.200 0.0/
+ TROE/ 7.000E-001 1.000E-030 1.000E+030 1.000E+030/
+H+O2(+HE)=HO2(+HE) +4.650E+12 +0.440 +0.0 ! *:_:* AA *:_:*
+ LOW/ 9.192E+018 -1.200 0.0/
+ TROE/ 5.900E-001 1.000E-030 1.000E+030 1.000E+030/
+HO2+H=2OH +7.079E+13 +0.000 +295.0 ! *:_:* AA *:_:*
+H2+O2=H+HO2 +5.176E+05 +2.433 +53502.0 ! *:_:* AA *:_:*
+HO2+O=OH+O2 +3.250E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HO2+OH=H2O+O2 +2.456E+13 +0.000 -497.0 ! *:_:* AA *:_:*
+2HO2=H2O2+O2 +1.300E+11 +0.000 -1630.0 ! *:_:* AA *:_:*
+ DUP
+2HO2=H2O2+O2 +3.658E+14 +0.000 +12000.0 ! *:_:* AA *:_:*
+ DUP
+H2O2(+H2O)=2OH(+H2O) +2.000E+12 +0.900 +48749.0 ! *:_:* AA *:_:*
+ LOW/ 1.865E+025 -2.300 48749.0/
+ TROE/ 5.100E-001 1.000E-030 1.000E+030/
+H2O2(+M)=2OH(+M) +2.000E+12 +0.900 +48749.0 ! *:_:* AA *:_:*
+ LOW/ 2.490E+024 -2.300 48749.0/
+ TROE/ 4.300E-001 1.000E-030 1.000E+030/
+ H2O/ 0.00/ CO2/ 1.60/ N2/ 1.50/ O2/ 1.20/ HE/ 0.65/ H2O2/ 7.70/
+ H2/ 3.70/ CO/ 2.80/
+H2O2+H=H2O+OH +2.410E+13 +0.000 +3970.0 ! *:_:* AA *:_:*
+H2O2+H=H2+HO2 +2.150E+10 +1.000 +6000.0 ! *:_:* AA *:_:*
+H2O2+O=OH+HO2 +9.550E+06 +2.000 +3970.0 ! *:_:* AA *:_:*
+H2O2+OH=H2O+HO2 +1.740E+12 +0.000 +318.0 ! *:_:* AA *:_:*
+ DUP
+H2O2+OH=H2O+HO2 +7.590E+13 +0.000 +7269.0 ! *:_:* AA *:_:*
+ DUP
+CO+O(+M)=CO2(+M) +1.362E+10 +0.000 +2384.0 ! *:_:* AA *:_:*
+ LOW/ 1.173E+024 -2.790 4191.0/
+ H2/ 2.00/ H2O/ 12.00/ CO/ 1.75/ CO2/ 3.60/ AR/ 0.70/ HE/ 0.70/
+CO+O2=CO2+O +1.119E+12 +0.000 +47700.0 ! *:_:* AA *:_:*
+CO+OH=CO2+H +7.015E+04 +2.053 -355.7 ! *:_:* AA *:_:*
+ DUP
+CO+OH=CO2+H +5.757E+12 -0.664 +331.8 ! *:_:* AA *:_:*
+ DUP
+CO+HO2=CO2+OH +1.570E+05 +2.180 +17940.0 ! *:_:* AA *:_:*
+HCO+M=H+CO+M +5.700E+11 +0.660 +14870.0 ! *:_:* AA *:_:*
+ H2/ 2.00/ H2O/ 12.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/
+HCO+O2=CO+HO2 +7.580E+12 +0.000 +410.0 ! *:_:* AA *:_:*
+HCO+H=CO+H2 +7.340E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCO+O=CO+OH +3.020E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCO+O=CO2+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCO+OH=CO+H2O +1.020E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+HCO+HO2=>CO2+H+OH +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+2HCO=>H2+2CO +3.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+HCO+CH3=CH4+CO +2.650E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2O+O2=HCO+HO2 +8.070E+15 +0.000 +53420.0 ! *:_:* AA *:_:*
+HCO+O2=O2CHO +1.200E+11 +0.000 -1100.0 ! *:_:* AA *:_:*
+CH2O+O2CHO=HCO+HO2CHO +1.990E+12 +0.000 +11660.0 ! *:_:* AA *:_:*
+OCHO+OH=HO2CHO +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+H+CO2=OCHO +7.500E+13 +0.000 +29000.0 ! *:_:* AA *:_:*
+2HCO=CH2O+CO +1.800E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+H+O+M=OH*+M +1.500E+13 +0.000 +5975.0 ! *:_:* AA *:_:*
+ H2/ 1.00/ H2O/ 6.50/ O2/ 0.40/ N2/ 0.40/ AR/ 0.35/
+OH*+H2O=OH+H2O +5.930E+12 +0.500 -860.0 ! *:_:* AA *:_:*
+OH*+H2=OH+H2 +2.950E+12 +0.500 -444.0 ! *:_:* AA *:_:*
+OH*+N2=OH+N2 +1.080E+11 +0.500 -1242.0 ! *:_:* AA *:_:*
+OH*+OH=2OH +6.010E+12 +0.500 -764.0 ! *:_:* AA *:_:*
+OH*+H=OH+H +1.310E+12 +0.500 -167.0 ! *:_:* AA *:_:*
+OH*+AR=OH+AR +1.690E+12 +0.000 +4135.0 ! *:_:* AA *:_:*
+OH*=OH +1.450E+06 +0.000 +0.0 ! *:_:* AA *:_:*
+OH*+O2=OH+O2 +2.100E+12 +0.500 -478.0 ! *:_:* AA *:_:*
+OH*+CO2=OH+CO2 +2.750E+12 +0.500 -968.0 ! *:_:* AA *:_:*
+OH*+CO=OH+CO +3.230E+12 +0.500 -787.0 ! *:_:* AA *:_:*
+OH*+CH4=OH+CH4 +3.360E+12 +0.500 -635.0 ! *:_:* AA *:_:*
+CH+O2=CO+OH* +4.040E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+O=CO+CH* +6.200E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C+H+M=CH*+M +6.000E+14 +0.000 +6940.0 ! *:_:* AA *:_:*
+C2H+O2=CO2+CH* +2.170E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+CH*+AR=CH+AR +4.000E+11 +0.500 +0.0 ! *:_:* AA *:_:*
+CH*+H2O=CH+H2O +5.300E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH*+CO=CH+CO +2.440E+12 +0.500 +0.0 ! *:_:* AA *:_:*
+CH*+CO2=CH+CO2 +2.410E-01 +4.300 -1694.0 ! *:_:* AA *:_:*
+CH*+O2=CH+O2 +2.480E+06 +2.140 -1720.0 ! *:_:* AA *:_:*
+CH*+H2=CH+H2 +1.470E+14 +0.000 +1361.0 ! *:_:* AA *:_:*
+CH*+CH4=CH+CH4 +1.730E+13 +0.000 +167.0 ! *:_:* AA *:_:*
+CH*=CH +1.860E+06 +0.000 +0.0 ! *:_:* AA *:_:*
+CH*+N2=CH+N2 +3.030E+02 +3.400 -381.0 ! *:_:* AA *:_:*
+HCO+H(+M)=CH2O(+M) +1.090E+12 +0.480 -260.0 ! *:_:* AA *:_:*
+ LOW/ 1.350E+024 -2.570 1425.0/
+ TROE/ 7.824E-001 2.710E+002 2.755E+003 6.570E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+CO+H2(+M)=CH2O(+M) +4.300E+07 +1.500 +79600.0 ! *:_:* AA *:_:*
+ LOW/ 5.070E+027 -3.420 84348.0/
+ TROE/ 9.320E-001 1.970E+002 1.540E+003 1.030E+004/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+CH2O+OH=HCO+H2O +7.820E+07 +1.630 -1055.0 ! *:_:* AA *:_:*
+CH2O+H=HCO+H2 +5.740E+07 +1.900 +2740.0 ! *:_:* AA *:_:*
+CH2O+O=HCO+OH +6.260E+09 +1.150 +2260.0 ! *:_:* AA *:_:*
+CH2O+CH3=HCO+CH4 +3.830E+01 +3.360 +4312.0 ! *:_:* AA *:_:*
+CH2O+HO2=HCO+H2O2 +1.880E+04 +2.700 +11520.0 ! *:_:* AA *:_:*
+CH2O+OH=HOCH2O +4.500E+15 -1.100 +0.0 ! *:_:* AA *:_:*
+HOCH2O=HOCHO+H +1.000E+14 +0.000 +14900.0 ! *:_:* AA *:_:*
+HOCHO=CO+H2O +2.450E+12 +0.000 +60470.0 ! *:_:* AA *:_:*
+HOCHO=CO2+H2 +2.950E+09 +0.000 +48520.0 ! *:_:* AA *:_:*
+OCHO+HO2=HOCHO+O2 +3.500E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+HOCHO+OH=>H2O+CO2+H +2.620E+06 +2.060 +916.0 ! *:_:* AA *:_:*
+HOCHO+OH=>H2O+CO+OH +1.850E+07 +1.510 -962.0 ! *:_:* AA *:_:*
+HOCHO+H=>H2+CO2+H +4.240E+06 +2.100 +4868.0 ! *:_:* AA *:_:*
+HOCHO+H=>H2+CO+OH +6.030E+13 -0.350 +2988.0 ! *:_:* AA *:_:*
+HOCHO+CH3=>CH4+CO+OH +3.900E-07 +5.800 +2200.0 ! *:_:* AA *:_:*
+OCHO+H2O2=HOCHO+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* AA *:_:*
+HOCHO+HO2=>H2O2+CO+OH +1.000E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+HOCHO+O=>CO+2OH +1.770E+18 -1.900 +2975.0 ! *:_:* AA *:_:*
+CH2O+OCHO=HOCHO+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+CH3O(+M)=CH2O+H(+M) +6.800E+13 +0.000 +26170.0 ! *:_:* AA *:_:*
+ LOW/ 1.867E+025 -3.000 24307.0/
+ TROE/ 9.000E-001 2.500E+003 1.300E+003 1.000E+099/
+ H2/ 2.00/ H2O/ 6.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/
+CH3O+O2=CH2O+HO2 +4.380E-19 +9.500 -5501.0 ! *:_:* AA *:_:*
+CH2O+CH3O=CH3OH+HCO +6.620E+11 +0.000 +2294.0 ! *:_:* AA *:_:*
+CH3+CH3OH=CH4+CH3O +1.440E+01 +3.100 +6935.0 ! *:_:* AA *:_:*
+CH3O+CH3=CH2O+CH4 +1.200E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3O+H=CH2O+H2 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3O+HO2=CH2O+H2O2 +3.010E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2O+H(+M)=CH2OH(+M) +5.400E+11 +0.454 +3600.0 ! *:_:* AA *:_:*
+ LOW/ 1.270E+032 -4.820 6530.0/
+ TROE/ 7.187E-001 1.030E+002 1.291E+003 4.160E+003/
+ H2/ 2.00/ H2O/ 6.00/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/
+CH2OH+O2=CH2O+HO2 +1.510E+15 -1.000 +0.0 ! *:_:* AA *:_:*
+ DUP
+CH2OH+O2=CH2O+HO2 +2.410E+14 +0.000 +5017.0 ! *:_:* AA *:_:*
+ DUP
+CH2OH+H=CH2O+H2 +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2OH+HO2=CH2O+H2O2 +1.200E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2OH+HCO=2CH2O +1.800E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2OH+CH3O=CH2O+CH3OH +2.400E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3OH+HCO=CH2OH+CH2O +9.630E+03 +2.900 +13110.0 ! *:_:* AA *:_:*
+OH+CH2OH=H2O+CH2O +2.400E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+O+CH2OH=OH+CH2O +4.200E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+2CH2OH=CH2O+CH3OH +3.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2OH+HO2=HOCH2O+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2O+HO2=OCH2O2H +1.500E+11 +0.000 +11900.0 ! *:_:* AA *:_:*
+OCH2O2H=HOCH2O2 +3.000E+11 +0.000 +8600.0 ! *:_:* AA *:_:*
+HOCH2O2+HO2=HOCH2O2H+O2 +3.500E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+HOCH2O+OH=HOCH2O2H +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3OH(+M)=CH3+OH(+M) +2.084E+18 -0.615 +92540.6 ! *:_:* AA *:_:*
+ LOW/ 1.500E+043 -6.995 97992.2/
+ TROE/ -4.748E-001 3.558E+004 1.116E+003 9.023E+003/
+CH3OH(+M)=CH2(S)+H2O(+M) +3.121E+18 -1.017 +91712.0 ! *:_:* AA *:_:*
+ LOW/ 1.430E+047 -8.227 99417.1/
+ TROE/ 2.545E+000 3.290E+003 4.732E+004 4.711E+004/
+CH3OH(+M)=CH2OH+H(+M) +7.896E-03 +5.038 +84467.4 ! *:_:* AA *:_:*
+ LOW/ 3.390E+042 -7.244 105230.3/
+ TROE/ -7.391E+001 3.705E+004 4.150E+004 5.220E+003/
+CH3OH+H=CH2OH+H2 +3.070E+05 +2.550 +5440.0 ! *:_:* AA *:_:*
+CH3OH+H=CH3O+H2 +1.990E+05 +2.560 +10300.0 ! *:_:* AA *:_:*
+CH3OH+O=CH2OH+OH +3.880E+05 +2.500 +3080.0 ! *:_:* AA *:_:*
+CH3OH+OH=CH2OH+H2O +3.080E+04 +2.650 -806.7 ! *:_:* AA *:_:*
+CH3OH+OH=CH3O+H2O +1.500E+02 +3.030 -763.0 ! *:_:* AA *:_:*
+CH3OH+O2=CH2OH+HO2 +2.050E+13 +0.000 +44900.0 ! *:_:* AA *:_:*
+CH3OH+HO2=CH2OH+H2O2 +1.080E+04 +2.550 +10530.0 ! *:_:* AA *:_:*
+CH3OH+CH3=CH2OH+CH4 +3.190E+01 +3.170 +7172.0 ! *:_:* AA *:_:*
+CH3O+CH3OH=CH2OH+CH3OH +3.000E+11 +0.000 +4074.0 ! *:_:* AA *:_:*
+2CH3O=CH3OH+CH2O +6.030E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3+H(+M)=CH4(+M) +1.270E+16 -0.630 +383.0 ! *:_:* AA *:_:*
+ LOW/ 2.477E+033 -4.760 2440.0/
+ TROE/ 7.830E-001 7.400E+001 2.941E+003 6.964E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+CH4+H=CH3+H2 +6.140E+05 +2.500 +9587.0 ! *:_:* AA *:_:*
+CH4+OH=CH3+H2O +5.830E+04 +2.600 +2190.0 ! *:_:* AA *:_:*
+CH4+O=CH3+OH +1.020E+09 +1.500 +8600.0 ! *:_:* AA *:_:*
+CH4+HO2=CH3+H2O2 +1.695E+01 +3.740 +21010.0 ! *:_:* AA *:_:*
+CH4+CH2=2CH3 +2.460E+06 +2.000 +8270.0 ! *:_:* AA *:_:*
+CH3+OH=CH2(S)+H2O +4.936E+14 -0.669 -445.8 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 4.936E+014 -0.669 -445.8/
+ PLOG/ 0.1000 1.207E+015 -0.778 -175.6/
+ PLOG/ 1.0000 5.282E+017 -1.518 1772.0/
+ PLOG/ 10.0000 4.788E+023 -3.155 7003.0/
+ PLOG/ 100.0000 8.433E+019 -1.962 8244.0/
+CH3+OH=CH2O+H2 +3.502E+05 +1.441 -3244.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 3.502E+005 1.441 -3244.0/
+ PLOG/ 0.1000 8.854E+005 1.327 -2975.0/
+ PLOG/ 1.0000 1.650E+007 0.973 -2010.0/
+ PLOG/ 10.0000 5.374E+009 0.287 280.0/
+ PLOG/ 100.0000 9.494E+018 -2.199 9769.0/
+CH3+OH=CH2OH+H +1.621E+10 +0.965 +3210.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.621E+010 0.965 3214.0/
+ PLOG/ 0.1000 1.807E+010 0.950 3247.0/
+ PLOG/ 1.0000 4.686E+010 0.833 3566.0/
+ PLOG/ 10.0000 1.525E+013 0.134 5641.0/
+ PLOG/ 100.0000 3.590E+014 -0.186 8601.0/
+CH3+OH=H+CH3O +1.186E+09 +1.016 +11940.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.186E+009 1.016 11940.0/
+ PLOG/ 0.1000 1.188E+009 1.016 11940.0/
+ PLOG/ 1.0000 1.230E+009 1.011 11950.0/
+ PLOG/ 10.0000 1.798E+009 0.965 12060.0/
+ PLOG/ 100.0000 5.242E+010 0.551 13070.0/
+CH3+OH=HCOH+H2 +8.674E+08 +0.787 -3046.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 8.674E+008 0.787 -3046.0/
+ PLOG/ 0.1000 3.115E+009 0.630 -2669.0/
+ PLOG/ 1.0000 1.557E+011 0.156 -1368.0/
+ PLOG/ 10.0000 1.704E+021 -2.641 6412.0/
+ PLOG/ 100.0000 7.250E+020 -2.402 9639.0/
+HCOH+OH=HCO+H2O +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+H=CH2O+H +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O=>CO2+2H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O=>CO+OH+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O2=>CO2+H+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+HCOH+O2=CO2+H2O +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3+HO2=CH3O+OH +1.000E+12 +0.269 -687.5 ! *:_:* AA *:_:*
+CH3+HO2=CH4+O2 +1.160E+05 +2.230 -3022.0 ! *:_:* AA *:_:*
+CH3+O=CH2O+H +5.540E+13 +0.050 -136.0 ! *:_:* AA *:_:*
+CH3+O2=CH3O+O +7.546E+12 +0.000 +28320.0 ! *:_:* AA *:_:*
+CH3+O2=CH2O+OH +2.641E+00 +3.283 +8105.0 ! *:_:* AA *:_:*
+CH3+O2(+M)=CH3O2(+M) +7.812E+09 +0.900 +0.0 ! *:_:* AA *:_:*
+ LOW/ 6.850E+024 -3.000 0.0/
+ TROE/ 6.000E-001 1.000E+003 7.000E+001 1.700E+003/
+CH3O2+CH2O=CH3O2H+HCO +1.990E+12 +0.000 +11660.0 ! *:_:* AA *:_:*
+CH4+CH3O2=CH3+CH3O2H +9.600E-01 +3.770 +17810.0 ! *:_:* AA *:_:*
+CH3OH+CH3O2=CH2OH+CH3O2H +1.810E+12 +0.000 +13710.0 ! *:_:* AA *:_:*
+CH3O2+CH3=2CH3O +5.080E+12 +0.000 -1411.0 ! *:_:* AA *:_:*
+CH3O2+HO2=CH3O2H+O2 +2.470E+11 +0.000 -1570.0 ! *:_:* AA *:_:*
+2CH3O2=>CH2O+CH3OH+O2 +3.110E+14 -1.610 -1051.0 ! *:_:* AA *:_:*
+2CH3O2=>O2+2CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+CH3O2+H=CH3O+OH +9.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3O2+O=CH3O+O2 +3.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3O2+OH=CH3OH+O2 +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3O2H=CH3O+OH +6.310E+14 +0.000 +42300.0 ! *:_:* AA *:_:*
+CH2(S)+N2=CH2+N2 +1.500E+13 +0.000 +600.0 ! *:_:* AA *:_:*
+CH2(S)+AR=CH2+AR +9.000E+12 +0.000 +600.0 ! *:_:* AA *:_:*
+CH2(S)+H=CH+H2 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+O=CO+H2 +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+O=HCO+H +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+OH=CH2O+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+H2=CH3+H +7.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+O2=>H+OH+CO +2.800E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+O2=CO+H2O +1.200E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+H2O=CH2+H2O +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+CO=CH2+CO +9.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+CO2=CH2+CO2 +7.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+CO2=CH2O+CO +1.400E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2+H(+M)=CH3(+M) +2.500E+16 -0.800 +0.0 ! *:_:* AA *:_:*
+ LOW/ 3.200E+027 -3.140 1230.0/
+ TROE/ 6.800E-001 7.800E+001 1.995E+003 5.590E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+CH2+O2=HCO+OH +1.060E+13 +0.000 +1500.0 ! *:_:* AA *:_:*
+CH2+O2=>CO2+2H +2.640E+12 +0.000 +1500.0 ! *:_:* AA *:_:*
+CH2+O=>CO+2H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2+H=CH+H2 +1.000E+18 -1.560 +0.0 ! *:_:* AA *:_:*
+ DUP
+CH2+OH=CH+H2O +1.130E+07 +2.000 +3000.0 ! *:_:* AA *:_:*
+CH+O2=HCO+O +3.300E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C+OH=CO+H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C+O2=CO+O +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH+H=C+H2 +1.100E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CH+O=CO+H +5.700E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH+OH=HCO+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2+H=CH+H2 +2.700E+11 +0.670 +25700.0 ! *:_:* AA *:_:*
+ DUP
+CH+H2O=H+CH2O +1.713E+13 +0.000 -755.0 ! *:_:* AA *:_:*
+CH+CO2=HCO+CO +1.700E+12 +0.000 +685.0 ! *:_:* AA *:_:*
+2CH3(+M)=C2H6(+M) +2.277E+15 -0.690 +174.9 ! *:_:* AA *:_:*
+ LOW/ 8.054E+031 -3.750 981.6/
+ TROE/ 0.000E+000 5.700E+002 1.000E+030 1.000E+030/
+ H2O/ 5.00/ CO/ 2.00/ CO2/ 3.00/
+C2H5+H(+M)=C2H6(+M) +5.210E+17 -0.990 +1580.0 ! *:_:* AA *:_:*
+ LOW/ 1.990E+041 -7.080 6685.0/
+ TROE/ 8.420E-001 1.250E+002 2.219E+003 6.882E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+C2H6+H=C2H5+H2 +1.150E+08 +1.900 +7530.0 ! *:_:* AA *:_:*
+C2H6+O=C2H5+OH +3.550E+06 +2.400 +5830.0 ! *:_:* AA *:_:*
+C2H6+OH=C2H5+H2O +1.480E+07 +1.900 +950.0 ! *:_:* AA *:_:*
+C2H6+O2=C2H5+HO2 +6.030E+13 +0.000 +51870.0 ! *:_:* AA *:_:*
+C2H6+CH3=C2H5+CH4 +5.480E-01 +4.000 +8280.0 ! *:_:* AA *:_:*
+C2H6+HO2=C2H5+H2O2 +3.460E+01 +3.610 +16920.0 ! *:_:* AA *:_:*
+C2H6+CH3O2=C2H5+CH3O2H +1.940E+01 +3.640 +17100.0 ! *:_:* AA *:_:*
+C2H6+CH3O=C2H5+CH3OH +2.410E+11 +0.000 +7090.0 ! *:_:* AA *:_:*
+C2H6+CH=C2H5+CH2 +1.100E+14 +0.000 -260.0 ! *:_:* AA *:_:*
+CH2(S)+C2H6=CH3+C2H5 +1.200E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H4+H(+M)=C2H5(+M) +9.569E+08 +1.463 +1355.0 ! *:_:* AA *:_:*
+ LOW/ 1.419E+039 -6.642 5769.0/
+ TROE/ -5.690E-001 2.990E+002 -9.147E+003 1.524E+002/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+H2+CH3O2=H+CH3O2H +1.500E+14 +0.000 +26030.0 ! *:_:* AA *:_:*
+H2+C2H5O2=H+C2H5O2H +1.500E+14 +0.000 +26030.0 ! *:_:* AA *:_:*
+2C2H4=C2H5+C2H3 +4.820E+14 +0.000 +71530.0 ! *:_:* AA *:_:*
+CH3+C2H5=CH4+C2H4 +1.180E+04 +2.450 -2921.0 ! *:_:* AA *:_:*
+2CH3=H+C2H5 +4.740E+12 +0.105 +10664.3 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 4.740E+012 0.105 10664.3/
+ PLOG/ 0.1000 2.570E+013 -0.096 11406.1/
+ PLOG/ 1.0000 3.100E+014 -0.362 13372.5/
+ PLOG/ 10.0000 2.150E+010 0.885 13532.5/
+ PLOG/ 100.0000 1.032E+002 3.230 11236.1/
+C2H5+H=C2H4+H2 +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H5+O=CH3CHO+H +1.100E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H5+HO2=C2H5O+OH +1.100E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3O2+C2H5=CH3O+C2H5O +8.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+C2H5O+O2=CH3CHO+HO2 +4.280E+10 +0.000 +1097.0 ! *:_:* AA *:_:*
+CH3+CH2O=C2H5O +3.000E+11 +0.000 +6336.0 ! *:_:* AA *:_:*
+CH3CHO+H=C2H5O +4.610E+07 +1.710 +7090.0 ! *:_:* AA *:_:*
+C2H5O2+CH2O=C2H5O2H+HCO +1.990E+12 +0.000 +11660.0 ! *:_:* AA *:_:*
+CH4+C2H5O2=CH3+C2H5O2H +1.810E+11 +0.000 +18480.0 ! *:_:* AA *:_:*
+CH3OH+C2H5O2=CH2OH+C2H5O2H +1.810E+12 +0.000 +13710.0 ! *:_:* AA *:_:*
+C2H5O2+HO2=C2H5O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+C2H6+C2H5O2=C2H5+C2H5O2H +8.600E+00 +3.760 +17200.0 ! *:_:* AA *:_:*
+C2H5O2H=C2H5O+OH +6.310E+14 +0.000 +42300.0 ! *:_:* AA *:_:*
+C2H5+O2=C2H5O2 +3.398E+53 -13.900 +9279.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 3.398E+053 -13.900 9279.0/
+ PLOG/ 1.0000 9.362E+059 -15.280 14240.0/
+ PLOG/ 10.0000 1.262E+060 -14.910 16240.0/
+C2H5+O2=C2H4O2H +2.103E+34 -9.010 +5444.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 2.103E+034 -9.010 5444.0/
+ PLOG/ 1.0000 4.884E+033 -8.310 7710.0/
+ PLOG/ 10.0000 1.705E+045 -11.490 14590.0/
+C2H5+O2=C2H4+HO2 +2.094E+09 +0.490 -391.4 ! *:_:* AA *:_:*
+ DUP
+ PLOG/ 0.0400 2.094E+009 0.490 -391.4/
+ PLOG/ 1.0000 1.843E+007 1.130 -720.6/
+ PLOG/ 10.0000 7.561E+014 -1.010 4749.0/
+C2H5+O2=C2H4+HO2 +6.609E+00 +3.510 +14160.0 ! *:_:* AA *:_:*
+ DUP
+C2H5+O2=C2H4O1-2+OH +1.303E+03 +1.930 -502.7 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 1.303E+003 1.930 -502.7/
+ PLOG/ 1.0000 2.438E+002 2.180 -62.5/
+ PLOG/ 10.0000 4.621E+009 0.150 5409.0/
+C2H5+O2=CH3CHO+OH +4.908E-06 +4.760 +254.3 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 4.908E-006 4.760 254.3/
+ PLOG/ 1.0000 6.803E-002 3.570 2643.0/
+ PLOG/ 10.0000 8.265E+002 2.410 5285.0/
+C2H4O2H=C2H5O2 +2.653E-16 +6.960 +2396.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 2.653E-016 6.960 2396.0/
+ PLOG/ 1.0000 1.064E+041 -10.100 26030.0/
+ PLOG/ 10.0000 1.203E+036 -8.130 27020.0/
+C2H5O2=CH3CHO+OH +1.237E+35 -9.420 +36360.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 1.237E+035 -9.420 36360.0/
+ PLOG/ 1.0000 1.687E+036 -9.220 38700.0/
+ PLOG/ 10.0000 2.520E+041 -10.200 43710.0/
+C2H5O2=C2H4+HO2 +1.782E+32 -7.100 +32840.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 1.782E+032 -7.100 32840.0/
+ PLOG/ 1.0000 2.701E+037 -8.470 35840.0/
+ PLOG/ 10.0000 1.980E+038 -8.460 37900.0/
+C2H5O2=C2H4O1-2+OH +5.778E+45 -11.900 +4112.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 5.778E+045 -11.900 4112.0/
+ PLOG/ 1.0000 1.916E+043 -10.750 42400.0/
+ PLOG/ 10.0000 3.965E+043 -10.460 45580.0/
+C2H4O2H=C2H4O1-2+OH +8.959E+38 -9.400 +20660.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 8.959E+038 -9.400 20660.0/
+ PLOG/ 1.0000 1.224E+037 -8.320 21460.0/
+ PLOG/ 10.0000 8.848E+030 -6.080 20660.0/
+C2H4O2H=C2H4+HO2 +3.918E+40 -10.200 +22250.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 3.918E+040 -10.200 22250.0/
+ PLOG/ 1.0000 6.825E+040 -9.610 23840.0/
+ PLOG/ 10.0000 3.980E+034 -7.250 23250.0/
+C2H4O2H=CH3CHO+OH +5.819E+26 -7.970 +20860.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0400 5.819E+026 -7.970 20860.0/
+ PLOG/ 1.0000 5.520E+034 -9.880 26230.0/
+ PLOG/ 10.0000 1.188E+034 -9.020 29210.0/
+C2H4O1-2=CH3+HCO +3.630E+13 +0.000 +57200.0 ! *:_:* AA *:_:*
+C2H4O1-2=CH3CHO +7.407E+12 +0.000 +53800.0 ! *:_:* AA *:_:*
+C2H4O1-2+OH=C2H3O1-2+H2O +1.780E+13 +0.000 +3610.0 ! *:_:* AA *:_:*
+C2H4O1-2+H=C2H3O1-2+H2 +8.000E+13 +0.000 +9680.0 ! *:_:* AA *:_:*
+C2H4O1-2+HO2=C2H3O1-2+H2O2 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+C2H4O1-2+CH3O2=C2H3O1-2+CH3O2H +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+C2H4O1-2+C2H5O2=C2H3O1-2+C2H5O2H +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+C2H4O1-2+CH3=C2H3O1-2+CH4 +1.070E+12 +0.000 +11830.0 ! *:_:* AA *:_:*
+C2H4O1-2+CH3O=C2H3O1-2+CH3OH +1.200E+11 +0.000 +6750.0 ! *:_:* AA *:_:*
+C2H3O1-2=CH3CO +8.500E+14 +0.000 +14000.0 ! *:_:* AA *:_:*
+C2H3O1-2=CH2CHO +1.000E+14 +0.000 +14000.0 ! *:_:* AA *:_:*
+CH3CHO(+M)=CH3+HCO(+M) +2.450E+22 -1.740 +86355.0 ! *:_:* AA *:_:*
+ LOW/ 1.030E+059 -11.300 95912.5/
+ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/
+CH3CHO(+M)=CH4+CO(+M) +2.720E+21 -1.740 +86355.0 ! *:_:* AA *:_:*
+ LOW/ 1.144E+058 -11.300 95912.5/
+ TROE/ 2.490E-003 7.181E+002 6.089E+000 3.780E+003/
+CH3CHO+H=CH3CO+H2 +1.310E+05 +2.580 +1220.0 ! *:_:* AA *:_:*
+CH3CHO+H=CH2CHO+H2 +2.720E+03 +3.100 +5210.0 ! *:_:* AA *:_:*
+CH3CHO+O=CH3CO+OH +5.940E+12 +0.000 +1868.0 ! *:_:* AA *:_:*
+CH3CHO+OH=CH3CO+H2O +3.370E+12 +0.000 -619.0 ! *:_:* AA *:_:*
+CH3CHO+O2=CH3CO+HO2 +3.010E+13 +0.000 +39150.0 ! *:_:* AA *:_:*
+CH3CHO+CH3=CH3CO+CH4 +7.080E-04 +4.580 +1966.0 ! *:_:* AA *:_:*
+CH3CHO+HO2=CH3CO+H2O2 +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+CH3O2+CH3CHO=CH3O2H+CH3CO +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+CH3CHO+CH3CO3=CH3CO+CH3CO3H +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+CH3CHO+OH=CH3+HOCHO +3.000E+15 -1.076 +0.0 ! *:_:* AA *:_:*
+CH3CHO+OH=CH2CHO+H2O +1.720E+05 +2.400 +815.0 ! *:_:* AA *:_:*
+CH3CO(+M)=CH3+CO(+M) +1.070E+12 +0.630 +16900.0 ! *:_:* AA *:_:*
+ LOW/ 5.650E+018 -0.970 14600.0/
+ TROE/ 6.290E-001 8.730E+009 5.520E+000 7.600E+007/
+CH3CO+H=CH2CO+H2 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3CO+O=CH2CO+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3CO+CH3=CH2CO+CH4 +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3CO+O2=CH3CO3 +1.200E+11 +0.000 -1100.0 ! *:_:* AA *:_:*
+CH3CO3+HO2=CH3CO3H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+H2O2+CH3CO3=HO2+CH3CO3H +2.410E+12 +0.000 +9936.0 ! *:_:* AA *:_:*
+CH4+CH3CO3=CH3+CH3CO3H +1.810E+11 +0.000 +18480.0 ! *:_:* AA *:_:*
+CH2O+CH3CO3=HCO+CH3CO3H +1.990E+12 +0.000 +11660.0 ! *:_:* AA *:_:*
+C2H6+CH3CO3=C2H5+CH3CO3H +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+CH3CO3H=CH3CO2+OH +5.010E+14 +0.000 +40150.0 ! *:_:* AA *:_:*
+CH3CO2+M=CH3+CO2+M +4.400E+15 +0.000 +10500.0 ! *:_:* AA *:_:*
+CH2CHO(+M)=CH2CO+H(+M) +1.430E+15 -0.150 +45600.0 ! *:_:* AA *:_:*
+ LOW/ 6.000E+029 -3.800 43423.9/
+ TROE/ 9.850E-001 3.930E+002 9.800E+009 5.000E+009/
+CH2CHO(+M)=CH3+CO(+M) +2.930E+12 +0.290 +40300.0 ! *:_:* AA *:_:*
+ LOW/ 9.520E+033 -5.070 41300.0/
+ TROE/ 7.130E-017 1.150E+003 4.990E+009 1.790E+009/
+CH2CHO+O2=O2CH2CHO +1.580E+77 -21.900 +19350.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.580E+077 -21.900 19350.0/
+ PLOG/ 0.1000 3.880E+069 -18.840 19240.0/
+ PLOG/ 1.0000 7.800E+059 -15.400 17650.0/
+ PLOG/ 10.0000 3.050E+050 -12.200 15630.0/
+CH2CHO+O2=CH2CO+HO2 +1.880E+05 +2.370 +23730.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.880E+005 2.370 23730.0/
+ PLOG/ 0.1000 1.880E+005 2.370 27370.0/
+ PLOG/ 1.0000 2.510E+005 2.330 23800.0/
+ PLOG/ 10.0000 7.050E+007 1.630 25290.0/
+CH2CHO+O2=>CH2O+CO+OH +2.680E+17 -1.840 +6530.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.680E+017 -1.840 6530.0/
+ PLOG/ 0.1000 1.520E+020 -2.580 8980.0/
+ PLOG/ 1.0000 1.650E+019 -2.220 10340.0/
+ PLOG/ 10.0000 8.953E+013 -0.600 10120.0/
+CH2CHO+O2=HO2CH2CO +3.640E+65 -21.870 +19020.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 3.640E+065 -21.870 19020.0/
+ PLOG/ 0.1000 3.640E+058 -19.000 19090.0/
+ PLOG/ 1.0000 6.650E+048 -15.550 17460.0/
+ PLOG/ 10.0000 4.800E+038 -12.140 14960.0/
+O2CH2CHO=HO2CH2CO +8.270E+30 -6.650 +24500.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 8.270E+030 -6.650 24500.0/
+ PLOG/ 0.1000 1.730E+026 -4.990 23760.0/
+ PLOG/ 1.0000 9.030E+019 -2.920 22170.0/
+ PLOG/ 10.0000 1.430E+016 -1.670 21210.0/
+O2CH2CHO=CH2CO+HO2 +2.050E+40 -13.310 +52150.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.050E+040 -13.310 52150.0/
+ PLOG/ 0.1000 5.720E+045 -14.000 52200.0/
+ PLOG/ 1.0000 4.160E+055 -15.760 55080.0/
+ PLOG/ 10.0000 1.120E+061 -16.040 60010.0/
+HO2CH2CO=>CO+CH2O+OH +2.360E+17 -2.950 +8100.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.360E+017 -2.950 8100.0/
+ PLOG/ 0.1000 2.380E+018 -2.950 8100.0/
+ PLOG/ 1.0000 2.510E+019 -2.950 8110.0/
+ PLOG/ 10.0000 4.160E+020 -3.020 8240.0/
+HO2CH2CO=CH2CO+HO2 +1.120E+07 -3.760 +21680.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.120E+007 -3.760 21680.0/
+ PLOG/ 0.1000 1.100E+008 -3.760 21680.0/
+ PLOG/ 1.0000 9.200E+008 -3.730 21630.0/
+ PLOG/ 10.0000 2.090E+009 -3.550 21220.0/
+CH2+CO(+M)=CH2CO(+M) +8.100E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 2.690E+033 -5.110 7095.0/
+ TROE/ 5.907E-001 2.750E+002 1.226E+003 5.185E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+CH3CO(+M)=CH2CO+H(+M) +9.413E+07 +1.917 +44987.2 ! *:_:* AA *:_:*
+ LOW/ 1.516E+051 -10.270 55390.0/
+ TROE/ 6.009E-001 8.103E+009 6.677E+002 5.000E+009/
+CH2CO+H=HCCO+H2 +1.401E+15 -0.171 +8783.2 ! *:_:* AA *:_:*
+CH2CO+H=CH3+CO +7.704E+13 -0.171 +4183.2 ! *:_:* AA *:_:*
+CH2CO+O=CH2+CO2 +1.750E+12 +0.000 +1350.0 ! *:_:* AA *:_:*
+CH2CO+O=HCCO+OH +1.000E+13 +0.000 +8000.0 ! *:_:* AA *:_:*
+CH2CO+OH=HCCO+H2O +1.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+CH2CO+OH=CH2OH+CO +2.000E+12 +0.000 -1010.0 ! *:_:* AA *:_:*
+CH2CO+CH3=C2H5+CO +4.769E+04 +2.312 +9468.0 ! *:_:* AA *:_:*
+CH2(S)+CH2CO=C2H4+CO +1.600E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+HCCO+OH=>H2+2CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+HCCO+O=>H+2CO +8.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+HCCO+H=CH2(S)+CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+HCCO+O2=>OH+2CO +1.910E+11 -0.020 +1020.0 ! *:_:* AA *:_:*
+HCCO+O2=>CO2+CO+H +4.780E+12 -0.142 +1150.0 ! *:_:* AA *:_:*
+CH+CO+M=HCCO+M +7.570E+22 -1.900 +0.0 ! *:_:* AA *:_:*
+CH+CH2O=H+CH2CO +9.460E+13 +0.000 -515.0 ! *:_:* AA *:_:*
+CH+HCCO=CO+C2H2 +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+H(+M)=C2H4(+M) +6.080E+12 +0.270 +280.0 ! *:_:* AA *:_:*
+ LOW/ 1.400E+030 -3.860 3320.0/
+ TROE/ 7.820E-001 2.075E+002 2.663E+003 6.095E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+C2H4(+M)=H2+H2CC(+M) +8.000E+12 +0.440 +88770.0 ! *:_:* AA *:_:*
+ LOW/ 7.000E+050 -9.310 99860.0/
+ TROE/ 7.345E-001 1.800E+002 1.035E+003 5.417E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+C2H4+H=C2H3+H2 +5.070E+07 +1.930 +12950.0 ! *:_:* AA *:_:*
+C2H4+O=CH3+HCO +7.453E+06 +1.880 +183.0 ! *:_:* AA *:_:*
+C2H4+O=CH2CHO+H +6.098E+06 +1.880 +183.0 ! *:_:* AA *:_:*
+C2H4+OH=C2H3+H2O +2.230E+04 +2.745 +2215.5 ! *:_:* AA *:_:*
+C2H4+OH=CH3+CH2O +5.350E+00 +2.920 -1732.7 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 5.350E+000 2.920 -1732.7/
+ PLOG/ 0.0250 3.190E+001 2.710 -1172.3/
+ PLOG/ 0.1000 5.550E+002 2.360 -180.8/
+ PLOG/ 1.0000 1.780E+005 1.680 2060.5/
+ PLOG/ 10.0000 2.370E+009 0.560 6006.7/
+ PLOG/ 100.0000 2.760E+013 -0.500 11455.1/
+C2H4+OH=CH3CHO+H +2.370E-07 +5.300 -2050.6 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.370E-007 5.300 -2050.6/
+ PLOG/ 0.0250 8.730E-005 4.570 -618.0/
+ PLOG/ 0.1000 4.030E-001 3.540 1881.7/
+ PLOG/ 1.0000 2.380E-002 3.910 1722.7/
+ PLOG/ 10.0000 8.250E+008 1.010 10507.3/
+ PLOG/ 100.0000 6.800E+009 0.810 13867.3/
+C2H4+OH=C2H3OH+H +1.040E+04 +2.600 +4121.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.040E+004 2.600 4121.0/
+ PLOG/ 0.0250 1.070E+004 2.600 4129.0/
+ PLOG/ 0.1000 1.520E+004 2.560 4238.3/
+ PLOG/ 1.0000 3.190E+005 2.190 5255.6/
+ PLOG/ 10.0000 1.940E+008 1.430 7828.8/
+ PLOG/ 100.0000 8.550E+010 0.750 11490.8/
+C2H4+OH=PC2H4OH +1.740E+43 -10.461 +7698.7 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.740E+043 -10.461 7698.7/
+ PLOG/ 0.0250 3.250E+037 -8.629 5214.7/
+ PLOG/ 0.1000 1.840E+035 -7.750 4908.9/
+ PLOG/ 1.0000 2.560E+036 -7.752 6946.1/
+ PLOG/ 10.0000 3.700E+033 -6.573 7605.9/
+ PLOG/ 100.0000 1.120E+026 -4.101 5757.0/
+C2H3OH+O2=CH2CHO+HO2 +5.310E+11 +0.210 +39830.0 ! *:_:* AA *:_:*
+C2H3OH+O=CH2CHO+OH +1.875E+06 +1.900 -860.0 ! *:_:* AA *:_:*
+C2H3OH+OH=CH2CHO+H2O +3.330E+09 +1.100 +540.5 ! *:_:* AA *:_:*
+C2H3OH+CH3=CH2CHO+CH4 +2.030E-08 +5.900 +1052.0 ! *:_:* AA *:_:*
+C2H3OH+CH3O2=CH2CHO+CH3O2H +3.400E+03 +2.500 +8922.0 ! *:_:* AA *:_:*
+C2H3OH+H=CH2CHO+H2 +1.480E+03 +3.077 +7220.0 ! *:_:* AA *:_:*
+C2H3OH+H=C2H2OH+H2 +2.470E+07 +2.030 +15200.0 ! *:_:* AA *:_:*
+C2H3OH+H=PC2H4OH +3.010E+08 +1.577 +3670.0 ! *:_:* AA *:_:*
+C2H3OH+HO2=CH3CHO+HO2 +1.490E+05 +1.670 +6810.0 ! *:_:* AA *:_:*
+C2H3OH=CH3CHO +7.420E+46 -10.560 +67420.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 7.420E+046 -10.560 67420.0/
+ PLOG/ 1.0000 4.420E+042 -9.090 67069.2/
+ PLOG/ 100.0000 2.900E+027 -4.350 61612.9/
+C2H4+CH3=C2H3+CH4 +6.620E+00 +3.700 +9500.0 ! *:_:* AA *:_:*
+C2H4+O2=C2H3+HO2 +4.220E+13 +0.000 +57623.1 ! *:_:* AA *:_:*
+C2H4+CH3O=C2H3+CH3OH +1.200E+11 +0.000 +6750.0 ! *:_:* AA *:_:*
+C2H4+CH3O2=C2H3+CH3O2H +8.590E+00 +3.754 +27132.0 ! *:_:* AA *:_:*
+C2H4+C2H5O2=C2H3+C2H5O2H +8.590E+00 +3.754 +27132.0 ! *:_:* AA *:_:*
+C2H4+CH3CO3=C2H3+CH3CO3H +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+C2H4+CH3O2=C2H4O1-2+CH3O +2.820E+12 +0.000 +17110.0 ! *:_:* AA *:_:*
+C2H4+C2H5O2=C2H4O1-2+C2H5O +2.820E+12 +0.000 +17110.0 ! *:_:* AA *:_:*
+C2H4+HO2=C2H4O1-2+OH +5.575E+11 +0.000 +17190.0 ! *:_:* AA *:_:*
+CH+CH4=C2H4+H +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2(S)+CH3=C2H4+H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H2+H(+M)=C2H3(+M) +1.710E+10 +1.266 +2709.0 ! *:_:* AA *:_:*
+ LOW/ 6.346E+031 -4.664 3780.0/
+ TROE/ 7.880E-001 -1.020E+004 1.000E-030/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+C2H3+O2=CH2O+HCO +1.700E+29 -5.312 +6503.1 ! *:_:* AA *:_:*
+C2H3+O2=CH2CHO+O +7.000E+14 -0.611 +5262.4 ! *:_:* AA *:_:*
+C2H3+O2=>H+CO+CH2O +5.190E+15 -1.260 +3312.6 ! *:_:* AA *:_:*
+CH3+C2H3=CH4+C2H2 +3.920E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+H=C2H2+H2 +9.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+H=H2CC+H2 +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+OH=C2H2+H2O +3.011E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+2C2H3=C2H2+C2H4 +9.600E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+H(+M)=C2H2(+M) +1.000E+17 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 3.750E+033 -4.800 1900.0/
+ TROE/ 6.460E-001 1.320E+002 1.315E+003 5.566E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+C2H+O=CH+CO +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+OH=H+HCCO +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+O2=HCO+CO +5.000E+13 +0.000 +1500.0 ! *:_:* AA *:_:*
+C2H+H2=H+C2H2 +4.900E+05 +2.500 +560.0 ! *:_:* AA *:_:*
+C2H2(+M)=H2CC(+M) +8.000E+14 -0.520 +50750.0 ! *:_:* AA *:_:*
+ LOW/ 2.450E+015 -0.640 49700.0/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/
+C2H2+O=CH2+CO +7.395E+08 +1.280 +2472.0 ! *:_:* AA *:_:*
+C2H2+O=HCCO+H +2.958E+09 +1.280 +2472.0 ! *:_:* AA *:_:*
+C2H2+OH=C2H+H2O +2.632E+06 +2.140 +17060.0 ! *:_:* AA *:_:*
+C2H2+OH=HCCOH+H +2.800E+05 +2.280 +12420.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.800E+005 2.280 12420.0/
+ PLOG/ 0.0250 7.467E+005 2.160 12550.0/
+ PLOG/ 0.1000 1.776E+006 2.040 12670.0/
+ PLOG/ 1.0000 2.415E+006 2.000 12710.0/
+ PLOG/ 10.0000 3.210E+006 1.970 12810.0/
+ PLOG/ 100.0000 7.347E+006 1.890 13600.0/
+C2H2+OH=CH2CO+H +1.578E+03 +2.560 -844.5 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 1.578E+003 2.560 -844.5/
+ PLOG/ 0.0250 1.518E+004 2.280 -292.1/
+ PLOG/ 0.1000 3.017E+005 1.920 598.1/
+ PLOG/ 1.0000 7.528E+006 1.550 2106.0/
+ PLOG/ 10.0000 5.101E+006 1.650 3400.0/
+ PLOG/ 100.0000 1.457E+004 2.450 4477.0/
+C2H2+OH=CH3+CO +4.757E+05 +1.680 -329.8 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 4.757E+005 1.680 -329.8/
+ PLOG/ 0.0250 4.372E+006 1.400 226.5/
+ PLOG/ 0.1000 7.648E+007 1.050 1115.0/
+ PLOG/ 1.0000 1.277E+009 0.730 2579.0/
+ PLOG/ 10.0000 4.312E+008 0.920 3736.0/
+ PLOG/ 100.0000 8.250E+005 1.770 4697.0/
+C2H2+OH=C2H2OH +3.913E+32 -7.126 +5824.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 3.913E+032 -7.126 5824.0/
+ PLOG/ 0.0250 1.067E+032 -6.847 5508.0/
+ PLOG/ 0.1000 1.646E+032 -6.717 5822.0/
+ PLOG/ 1.0000 1.387E+031 -6.087 6348.0/
+ PLOG/ 10.0000 2.892E+029 -5.288 7055.0/
+ PLOG/ 100.0000 1.367E+025 -3.754 6543.0/
+C2H2+HCO=C2H3+CO +1.000E+07 +2.000 +6000.0 ! *:_:* AA *:_:*
+C2H2+CH2=C3H3+H +1.200E+13 +0.000 +6620.0 ! *:_:* AA *:_:*
+C2H2+CH2(S)=C3H3+H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H2+HCCO=C3H3+CO +1.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:*
+H2CC+H=C2H2+H +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+H2CC+OH=CH2CO+H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+H2CC+O2=2HCO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+H+HCCOH=H+CH2CO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H5OH=C2H4+H2O +3.410E+59 -14.200 +83672.6 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 3.410E+059 -14.200 83672.6/
+ PLOG/ 0.0100 2.620E+057 -13.300 85262.2/
+ PLOG/ 0.1000 1.650E+052 -11.500 84745.6/
+ PLOG/ 1.0000 5.230E+043 -8.900 81506.7/
+ PLOG/ 10.0000 4.590E+032 -5.600 76062.4/
+ PLOG/ 100.0000 3.840E+020 -2.060 69465.5/
+C2H5OH=CH3+CH2OH +1.200E+54 -12.900 +100005.7 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 1.200E+054 -12.900 100005.7/
+ PLOG/ 0.0100 5.180E+059 -14.000 99906.4/
+ PLOG/ 0.1000 1.620E+066 -15.300 105390.5/
+ PLOG/ 1.0000 5.550E+064 -14.500 106183.0/
+ PLOG/ 10.0000 1.550E+058 -12.300 105768.0/
+ PLOG/ 100.0000 1.780E+047 -8.960 101058.8/
+C2H5OH=C2H5+OH +8.100E+46 -11.300 +111053.4 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 8.100E+046 -11.300 111053.4/
+ PLOG/ 0.0100 1.860E+056 -13.500 107238.4/
+ PLOG/ 0.1000 4.650E+063 -15.000 109622.8/
+ PLOG/ 1.0000 4.460E+065 -14.900 112345.0/
+ PLOG/ 10.0000 2.790E+061 -13.400 113080.2/
+ PLOG/ 100.0000 6.170E+051 -10.300 109940.7/
+C2H5OH+O2=PC2H4OH+HO2 +2.000E+13 +0.000 +52800.0 ! *:_:* AA *:_:*
+C2H5OH+O2=SC2H4OH+HO2 +1.500E+13 +0.000 +50150.0 ! *:_:* AA *:_:*
+C2H5OH+H=SC2H4OH+H2 +8.790E+04 +2.680 +2910.0 ! *:_:* AA *:_:*
+C2H5OH+H=PC2H4OH+H2 +5.310E+04 +2.810 +7490.0 ! *:_:* AA *:_:*
+C2H5OH+H=C2H5O+H2 +9.450E+02 +3.140 +8701.1 ! *:_:* AA *:_:*
+C2H5OH+OH=SC2H4OH+H2O +7.170E+04 +2.540 -1534.0 ! *:_:* AA *:_:*
+C2H5OH+OH=PC2H4OH+H2O +5.700E+00 +3.380 -2394.3 ! *:_:* AA *:_:*
+C2H5OH+OH=C2H5O+H2O +5.810E-03 +4.280 -3560.0 ! *:_:* AA *:_:*
+C2H5OH+HO2=SC2H4OH+H2O2 +3.500E-05 +5.260 +7475.1 ! *:_:* AA *:_:*
+C2H5OH+HO2=PC2H4OH+H2O2 +3.986E-02 +4.300 +15333.0 ! *:_:* AA *:_:*
+C2H5OH+HO2=C2H5O+H2O2 +6.470E-07 +5.300 +10533.1 ! *:_:* AA *:_:*
+C2H5OH+CH3O2=PC2H4OH+CH3O2H +1.230E+04 +2.550 +15750.0 ! *:_:* AA *:_:*
+C2H5OH+CH3O2=SC2H4OH+CH3O2H +8.200E+03 +2.550 +10750.0 ! *:_:* AA *:_:*
+C2H5OH+CH3O2=C2H5O+CH3O2H +2.500E+12 +0.000 +24000.0 ! *:_:* AA *:_:*
+C2H5OH+O=PC2H4OH+OH +9.690E+02 +3.230 +4658.0 ! *:_:* AA *:_:*
+C2H5OH+O=SC2H4OH+OH +1.450E+05 +2.470 +876.0 ! *:_:* AA *:_:*
+C2H5OH+O=C2H5O+OH +1.460E-03 +4.730 +1727.0 ! *:_:* AA *:_:*
+C2H5OH+CH3=PC2H4OH+CH4 +3.300E+02 +3.300 +12290.0 ! *:_:* AA *:_:*
+C2H5OH+CH3=SC2H4OH+CH4 +1.993E+01 +3.370 +7634.0 ! *:_:* AA *:_:*
+C2H5OH+CH3=C2H5O+CH4 +2.035E+00 +3.570 +7721.0 ! *:_:* AA *:_:*
+C2H5OH+C2H5=PC2H4OH+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* AA *:_:*
+C2H5OH+C2H5=SC2H4OH+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* AA *:_:*
+SC2H4OH=CH3CHO+H +5.690E+52 -13.380 +45049.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 5.690E+052 -13.380 45049.0/
+ PLOG/ 0.0100 3.290E+056 -14.120 48129.0/
+ PLOG/ 0.1000 8.580E+057 -14.160 50743.0/
+ PLOG/ 1.0000 5.360E+055 -13.150 51886.0/
+ PLOG/ 10.0000 1.660E+048 -10.640 50297.0/
+ PLOG/ 20.0000 8.260E+044 -9.590 49218.0/
+ PLOG/ 50.0000 1.010E+040 -8.060 47439.0/
+ PLOG/ 100.0000 1.100E+036 -6.840 45899.0/
+SC2H4OH=C2H3OH+H +5.400E+46 -11.630 +44323.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 5.400E+046 -11.630 44323.0/
+ PLOG/ 0.0100 1.210E+051 -12.550 47240.0/
+ PLOG/ 0.1000 2.870E+054 -13.150 50702.0/
+ PLOG/ 1.0000 3.790E+053 -12.510 52560.0/
+ PLOG/ 10.0000 6.330E+046 -10.200 51441.0/
+ PLOG/ 20.0000 3.870E+043 -9.170 50440.0/
+ PLOG/ 50.0000 5.080E+038 -7.650 48713.0/
+ PLOG/ 100.0000 5.120E+034 -6.410 47182.0/
+SC2H4OH=C2H5O +5.480E+45 -11.630 +44328.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 5.480E+045 -11.630 44328.0/
+ PLOG/ 0.0100 2.540E+049 -12.370 46445.0/
+ PLOG/ 0.1000 1.650E+054 -13.400 50330.0/
+ PLOG/ 1.0000 1.810E+055 -13.310 53132.0/
+ PLOG/ 10.0000 4.580E+049 -11.320 52714.0/
+ PLOG/ 20.0000 4.110E+046 -10.330 51834.0/
+ PLOG/ 50.0000 6.680E+041 -8.830 50202.0/
+ PLOG/ 100.0000 6.540E+037 -7.580 48697.0/
+SC2H4OH=PC2H4OH +2.650E+36 -8.860 +51019.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0010 2.650E+036 -8.860 51019.0/
+ PLOG/ 0.0100 3.560E+037 -8.890 51114.0/
+ PLOG/ 0.1000 4.140E+039 -9.190 51912.0/
+ PLOG/ 1.0000 5.820E+044 -10.340 55296.0/
+ PLOG/ 10.0000 4.260E+048 -11.060 59458.0/
+ PLOG/ 20.0000 8.840E+047 -10.740 59901.0/
+ PLOG/ 50.0000 2.230E+045 -9.840 59604.0/
+ PLOG/ 100.0000 1.700E+042 -8.830 58737.0/
+O2C2H4OH=PC2H4OH+O2 +3.900E+16 -1.000 +30000.0 ! *:_:* AA *:_:*
+O2C2H4OH=>OH+2CH2O +3.125E+09 +0.000 +18900.0 ! *:_:* AA *:_:*
+SC2H4OH+O2=CH3CHO+HO2 +5.260E+17 -1.638 +869.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 5.260E+017 -1.637 838.0/
+ PLOG/ 0.1000 5.260E+017 -1.637 838.0/
+ PLOG/ 1.0000 5.280E+017 -1.638 839.0/
+ PLOG/ 10.0000 1.540E+018 -1.771 1120.0/
+ PLOG/ 100.0000 3.780E+020 -2.429 3090.0/
+SC2H4OH+O2=C2H3OH+HO2 +5.512E+03 +2.495 -414.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 5.120E+002 2.496 -414.0/
+ PLOG/ 0.1000 5.330E+002 2.490 -402.0/
+ PLOG/ 1.0000 7.620E+002 2.446 -296.0/
+ PLOG/ 10.0000 8.920E+003 2.146 470.0/
+ PLOG/ 100.0000 4.380E+005 1.699 2330.0/
+CH3COCH3=CH3CO+CH3 +2.050E+58 -12.796 +100030.1 ! *:_:* AA *:_:*
+ PLOG/ 0.0100 2.050E+058 -12.796 100030.1/
+ PLOG/ 0.1000 3.300E+051 -10.574 98221.2/
+ PLOG/ 1.0000 1.310E+042 -7.657 94660.6/
+ PLOG/ 10.0000 2.160E+033 -4.989 90916.5/
+ PLOG/ 100.0000 9.400E+028 -3.669 89022.8/
+CH3COCH3+OH=CH3COCH2+H2O +1.250E+05 +2.483 +445.0 ! *:_:* AA *:_:*
+CH3COCH3+H=CH3COCH2+H2 +9.800E+05 +2.430 +5160.0 ! *:_:* AA *:_:*
+CH3COCH3+O=CH3COCH2+OH +5.130E+11 +0.211 +4890.0 ! *:_:* AA *:_:*
+CH3COCH3+CH3=CH3COCH2+CH4 +3.960E+11 +0.000 +9784.0 ! *:_:* AA *:_:*
+CH3COCH3+CH3O=CH3COCH2+CH3OH +4.340E+11 +0.000 +6460.0 ! *:_:* AA *:_:*
+CH3COCH3+O2=CH3COCH2+HO2 +6.030E+13 +0.000 +48500.0 ! *:_:* AA *:_:*
+CH3COCH3+HO2=CH3COCH2+H2O2 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+CH3COCH3+CH3O2=CH3COCH2+CH3O2H +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+CH2CO+CH3=CH3COCH2 +1.760E+04 +2.480 +6130.0 ! *:_:* AA *:_:*
+CH3COCH2+O2=CH3COCH2O2 +1.200E+11 +0.000 -1100.0 ! *:_:* AA *:_:*
+CH3COCH3+CH3COCH2O2=CH3COCH2+C3KET21 +1.000E+11 +0.000 +5000.0 ! *:_:* AA *:_:*
+CH2O+CH3COCH2O2=HCO+C3KET21 +1.288E+11 +0.000 +9000.0 ! *:_:* AA *:_:*
+HO2+CH3COCH2O2=C3KET21+O2 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+HCO=C2H3CHO +1.810E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3CHO+H=C2H3CO+H2 +1.340E+13 +0.000 +3300.0 ! *:_:* AA *:_:*
+C2H3CHO+O=C2H3CO+OH +5.940E+12 +0.000 +1868.0 ! *:_:* AA *:_:*
+C2H3CHO+OH=C2H3CO+H2O +9.240E+06 +1.500 -962.0 ! *:_:* AA *:_:*
+C2H3CHO+O2=C2H3CO+HO2 +1.005E+13 +0.000 +40700.0 ! *:_:* AA *:_:*
+C2H3CHO+HO2=C2H3CO+H2O2 +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+C2H3CHO+CH3=C2H3CO+CH4 +2.608E+06 +1.780 +5911.0 ! *:_:* AA *:_:*
+C2H3CHO+C2H3=C2H3CO+C2H4 +1.740E+12 +0.000 +8440.0 ! *:_:* AA *:_:*
+C2H3CHO+CH3O=C2H3CO+CH3OH +1.000E+12 +0.000 +3300.0 ! *:_:* AA *:_:*
+C2H3CHO+CH3O2=C2H3CO+CH3O2H +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+C2H3+CO=C2H3CO +1.510E+11 +0.000 +4810.0 ! *:_:* AA *:_:*
+C2H5+HCO=C2H5CHO +1.810E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H5CHO+H=C2H5CO+H2 +4.000E+13 +0.000 +4200.0 ! *:_:* AA *:_:*
+C2H5CHO+O=C2H5CO+OH +5.000E+12 +0.000 +1790.0 ! *:_:* AA *:_:*
+C2H5CHO+OH=C2H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* AA *:_:*
+C2H5CHO+CH3=C2H5CO+CH4 +2.608E+06 +1.780 +5911.0 ! *:_:* AA *:_:*
+C2H5CHO+HO2=C2H5CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+C2H5CHO+CH3O=C2H5CO+CH3OH +1.000E+12 +0.000 +3300.0 ! *:_:* AA *:_:*
+C2H5CHO+CH3O2=C2H5CO+CH3O2H +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+C2H5CHO+C2H5=C2H5CO+C2H6 +1.000E+12 +0.000 +8000.0 ! *:_:* AA *:_:*
+C2H5CHO+C2H5O=C2H5CO+C2H5OH +6.026E+11 +0.000 +3300.0 ! *:_:* AA *:_:*
+C2H5CHO+C2H5O2=C2H5CO+C2H5O2H +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+C2H5CHO+O2=C2H5CO+HO2 +1.005E+13 +0.000 +40700.0 ! *:_:* AA *:_:*
+C2H5CHO+CH3CO3=C2H5CO+CH3CO3H +3.010E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+C2H5CHO+C2H3=C2H5CO+C2H4 +1.700E+12 +0.000 +8440.0 ! *:_:* AA *:_:*
+C2H5+CO=C2H5CO +1.510E+11 +0.000 +4810.0 ! *:_:* AA *:_:*
+CH3OCH3(+M)=CH3+CH3O(+M) +4.380E+21 -1.570 +83890.0 ! *:_:* AA *:_:*
+ LOW/ 7.520E+015 0.000 42790.0/
+ TROE/ 4.540E-001 1.000E-030 2.510E+003/
+CH3OCH3+OH=CH3OCH2+H2O +6.324E+06 +2.000 -651.7 ! *:_:* AA *:_:*
+CH3OCH3+H=CH3OCH2+H2 +7.721E+06 +2.090 +3384.0 ! *:_:* AA *:_:*
+CH3OCH3+O=CH3OCH2+OH +7.750E+08 +1.360 +2250.0 ! *:_:* AA *:_:*
+CH3OCH3+HO2=CH3OCH2+H2O2 +8.670E+02 +3.010 +12090.0 ! *:_:* AA *:_:*
+CH3OCH3+CH3O2=CH3OCH2+CH3O2H +3.120E+02 +3.120 +13190.0 ! *:_:* AA *:_:*
+CH3OCH3+CH3=CH3OCH2+CH4 +1.445E-06 +5.730 +5700.0 ! *:_:* AA *:_:*
+CH3OCH3+O2=CH3OCH2+HO2 +4.100E+13 +0.000 +44910.0 ! *:_:* AA *:_:*
+CH3OCH3+CH3O=CH3OCH2+CH3OH +6.020E+11 +0.000 +4074.0 ! *:_:* AA *:_:*
+CH3OCH3+CH3OCH2O2=CH3OCH2+CH3OCH2O2H +5.000E+12 +0.000 +17690.0 ! *:_:* AA *:_:*
+CH3OCH3+O2CHO=CH3OCH2+HO2CHO +4.425E+04 +2.600 +13910.0 ! *:_:* AA *:_:*
+CH3OCH3+OCHO=CH3OCH2+HOCHO +1.000E+13 +0.000 +17690.0 ! *:_:* AA *:_:*
+CH3OCH2=CH2O+CH3 +1.600E+13 +0.000 +25500.0 ! *:_:* AA *:_:*
+CH3OCH2+CH3O=CH3OCH3+CH2O +2.410E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3OCH2+CH2O=CH3OCH3+HCO +5.490E+03 +2.800 +5862.0 ! *:_:* AA *:_:*
+CH3OCH2+CH3CHO=CH3OCH3+CH3CO +1.260E+12 +0.000 +8499.0 ! *:_:* AA *:_:*
+CH3OCH2+O2=CH3OCH2O2 +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3OCH2O2+CH2O=CH3OCH2O2H+HCO +1.000E+12 +0.000 +11660.0 ! *:_:* AA *:_:*
+CH3OCH2O2+CH3CHO=CH3OCH2O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+2CH3OCH2O2=>O2+2CH3OCH2O +1.547E+23 -4.500 +0.0 ! *:_:* AA *:_:*
+CH3OCH2O+OH=CH3OCH2O2H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3O+CH2O=CH3OCH2O +1.000E+11 +0.000 +7960.0 ! *:_:* AA *:_:*
+CH3OCH2O+O2=CH3OCHO+HO2 +5.000E+10 +0.000 +500.0 ! *:_:* AA *:_:*
+CH3OCHO+H=CH3OCH2O +1.000E+13 +0.000 +7838.0 ! *:_:* AA *:_:*
+CH3OCH2O2=CH2OCH2O2H +6.000E+10 +0.000 +21580.0 ! *:_:* AA *:_:*
+CH2OCH2O2H=>OH+2CH2O +1.500E+13 +0.000 +20760.0 ! *:_:* AA *:_:*
+CH2OCH2O2H+O2=O2CH2OCH2O2H +7.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+O2CH2OCH2O2H=HO2CH2OCHO+OH +4.000E+10 +0.000 +18580.0 ! *:_:* AA *:_:*
+HO2CH2OCHO=OCH2OCHO+OH +2.000E+16 +0.000 +40500.0 ! *:_:* AA *:_:*
+CH2O+OCHO=OCH2OCHO +1.250E+11 +0.000 +11900.0 ! *:_:* AA *:_:*
+OCH2OCHO=HOCH2OCO +1.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+HOCH2O+CO=HOCH2OCO +1.500E+11 +0.000 +4800.0 ! *:_:* AA *:_:*
+CH2OH+CO2=HOCH2OCO +1.500E+11 +0.000 +35720.0 ! *:_:* AA *:_:*
+CH2OCHO+H=CH3OCHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3OCO+H=CH3OCHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3OCHO(+M)=CH3OH+CO(+M) +1.000E+14 +0.000 +62500.0 ! *:_:* AA *:_:*
+ LOW/ 6.143E+060 -12.070 75400.0/
+ TROE/ 7.800E-001 8.280E+009 4.389E+002 6.700E+008/
+CH3O+HCO=CH3OCHO +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3+OCHO=CH3OCHO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3OCHO+O2=CH3OCO+HO2 +1.000E+13 +0.000 +49700.0 ! *:_:* AA *:_:*
+CH3OCHO+O2=CH2OCHO+HO2 +2.050E+13 +0.000 +52000.0 ! *:_:* AA *:_:*
+CH3OCHO+OH=CH3OCO+H2O +1.580E+07 +1.800 +934.0 ! *:_:* AA *:_:*
+CH3OCHO+OH=CH2OCHO+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* AA *:_:*
+CH3OCHO+HO2=CH3OCO+H2O2 +4.820E+03 +2.600 +13910.0 ! *:_:* AA *:_:*
+CH3OCHO+HO2=CH2OCHO+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:*
+CH3OCHO+O=CH3OCO+OH +2.755E+05 +2.450 +2830.0 ! *:_:* AA *:_:*
+CH3OCHO+O=CH2OCHO+OH +9.800E+05 +2.430 +4750.0 ! *:_:* AA *:_:*
+CH3OCHO+H=CH3OCO+H2 +6.500E+05 +2.400 +4471.0 ! *:_:* AA *:_:*
+CH3OCHO+H=CH2OCHO+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* AA *:_:*
+CH3OCHO+CH3=CH3OCO+CH4 +7.550E-01 +3.460 +5481.0 ! *:_:* AA *:_:*
+CH3OCHO+CH3=CH2OCHO+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* AA *:_:*
+CH3OCHO+CH3O=CH3OCO+CH3OH +5.480E+11 +0.000 +5000.0 ! *:_:* AA *:_:*
+CH3OCHO+CH3O=CH2OCHO+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:*
+CH3OCHO+CH3O2=CH3OCO+CH3O2H +4.820E+03 +2.600 +13910.0 ! *:_:* AA *:_:*
+CH3OCHO+CH3O2=CH2OCHO+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:*
+CH3OCHO+HCO=CH3OCO+CH2O +5.400E+06 +1.900 +17010.0 ! *:_:* AA *:_:*
+CH3OCHO+HCO=CH2OCHO+CH2O +1.025E+05 +2.500 +18430.0 ! *:_:* AA *:_:*
+CH3OCO=CH2OCHO +1.629E+12 -0.180 +40670.0 ! *:_:* AA *:_:*
+CH3+CO2=CH3OCO +4.760E+07 +1.540 +34700.0 ! *:_:* AA *:_:*
+CH3O+CO=CH3OCO +1.550E+06 +2.020 +5730.0 ! *:_:* AA *:_:*
+CH2O+HCO=CH2OCHO +1.500E+11 +0.000 +11900.0 ! *:_:* AA *:_:*
+C3H8(+M)=CH3+C2H5(+M) +1.290E+37 -5.840 +97380.0 ! *:_:* AA *:_:*
+ LOW/ 5.640E+074 -15.740 98714.0/
+ TROE/ 3.100E-001 5.000E+001 3.000E+003 9.000E+003/
+ H2/ 2.00/ H2O/ 6.00/ AR/ 0.70/ CO/ 1.50/ CO2/ 2.00/ CH4/ 2.00/ C2H6/ 3.00/ HE/ 0.70/
+NC3H7+H=C3H8 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7+H=C3H8 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H8+O2=IC3H7+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* AA *:_:*
+C3H8+O2=NC3H7+HO2 +6.000E+13 +0.000 +52290.0 ! *:_:* AA *:_:*
+H+C3H8=H2+IC3H7 +1.300E+06 +2.400 +4471.0 ! *:_:* AA *:_:*
+H+C3H8=H2+NC3H7 +3.490E+05 +2.690 +6450.0 ! *:_:* AA *:_:*
+C3H8+O=IC3H7+OH +5.490E+05 +2.500 +3140.0 ! *:_:* AA *:_:*
+C3H8+O=NC3H7+OH +3.710E+06 +2.400 +5505.0 ! *:_:* AA *:_:*
+C3H8+OH=NC3H7+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* AA *:_:*
+C3H8+OH=IC3H7+H2O +4.670E+07 +1.610 -35.0 ! *:_:* AA *:_:*
+C3H8+HO2=IC3H7+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* AA *:_:*
+C3H8+HO2=NC3H7+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* AA *:_:*
+CH3+C3H8=CH4+IC3H7 +6.400E+04 +2.170 +7520.0 ! *:_:* AA *:_:*
+CH3+C3H8=CH4+NC3H7 +9.040E-01 +3.650 +7154.0 ! *:_:* AA *:_:*
+IC3H7+C3H8=NC3H7+C3H8 +3.000E+10 +0.000 +12900.0 ! *:_:* AA *:_:*
+C2H3+C3H8=C2H4+IC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:*
+C2H3+C3H8=C2H4+NC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:*
+C2H5+C3H8=C2H6+IC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:*
+C2H5+C3H8=C2H6+NC3H7 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:*
+C3H8+C3H5-A=NC3H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:*
+C3H8+C3H5-A=IC3H7+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:*
+C3H8+CH3O=NC3H7+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* AA *:_:*
+C3H8+CH3O=IC3H7+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* AA *:_:*
+CH3O2+C3H8=CH3O2H+NC3H7 +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:*
+CH3O2+C3H8=CH3O2H+IC3H7 +1.019E+01 +3.580 +14810.0 ! *:_:* AA *:_:*
+C2H5O2+C3H8=C2H5O2H+NC3H7 +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:*
+C2H5O2+C3H8=C2H5O2H+IC3H7 +1.019E+01 +3.580 +14810.0 ! *:_:* AA *:_:*
+NC3H7O2+C3H8=NC3H7O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+NC3H7O2+C3H8=NC3H7O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+IC3H7O2+C3H8=IC3H7O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC3H7O2+C3H8=IC3H7O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+C3H8+CH3CO3=IC3H7+CH3CO3H +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+C3H8+CH3CO3=NC3H7+CH3CO3H +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+C3H8+O2CHO=NC3H7+HO2CHO +5.520E+04 +2.550 +16480.0 ! *:_:* AA *:_:*
+C3H8+O2CHO=IC3H7+HO2CHO +1.475E+04 +2.600 +13910.0 ! *:_:* AA *:_:*
+H+C3H6=IC3H7 +4.240E+11 +0.510 +1230.0 ! *:_:* AA *:_:*
+IC3H7+H=C2H5+CH3 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7+O2=C3H6+HO2 +4.500E-19 +0.000 +5020.0 ! *:_:* AA *:_:*
+IC3H7+OH=C3H6+H2O +2.410E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7+O=CH3COCH3+H +4.818E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7+O=CH3CHO+CH3 +4.818E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3+C2H4=NC3H7 +1.760E+04 +2.480 +6130.0 ! *:_:* AA *:_:*
+H+C3H6=NC3H7 +2.500E+11 +0.510 +2620.0 ! *:_:* AA *:_:*
+NC3H7+O2=C3H6+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* AA *:_:*
+C2H5CHO+NC3H7=C2H5CO+C3H8 +1.700E+12 +0.000 +8440.0 ! *:_:* AA *:_:*
+C2H5CHO+IC3H7=C2H5CO+C3H8 +1.700E+12 +0.000 +8440.0 ! *:_:* AA *:_:*
+C2H5CHO+C3H5-A=C2H5CO+C3H6 +1.700E+12 +0.000 +8440.0 ! *:_:* AA *:_:*
+C2H3+CH3(+M)=C3H6(+M) +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 4.270E+058 -11.940 9769.8/
+ TROE/ 1.750E-001 1.341E+003 6.000E+004 1.014E+004/
+C3H5-A+H(+M)=C3H6(+M) +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 1.330E+060 -12.000 5967.8/
+ TROE/ 2.000E-002 1.097E+003 1.097E+003 6.860E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+C3H6=C3H5-S+H +7.710E+69 -16.090 +140000.0 ! *:_:* AA *:_:*
+C3H6=C3H5-T+H +5.620E+71 -16.580 +139300.0 ! *:_:* AA *:_:*
+C3H6+O=C2H5+HCO +1.580E+07 +1.760 -1216.0 ! *:_:* AA *:_:*
+C3H6+O=>CH2CO+CH3+H +2.500E+07 +1.760 +76.0 ! *:_:* AA *:_:*
+C3H6+O=>CH3CHCO+2H +2.500E+07 +1.760 +76.0 ! *:_:* AA *:_:*
+C3H6+O=C3H5-A+OH +5.240E+11 +0.700 +5884.0 ! *:_:* AA *:_:*
+C3H6+O=C3H5-S+OH +1.200E+11 +0.700 +8959.0 ! *:_:* AA *:_:*
+C3H6+O=C3H5-T+OH +6.030E+10 +0.700 +7632.0 ! *:_:* AA *:_:*
+C3H6+OH=C3H5-A+H2O +1.970E+06 +2.200 +540.0 ! *:_:* AA *:_:*
+C3H6+OH=C3H5-S+H2O +2.110E+06 +2.000 +2778.0 ! *:_:* AA *:_:*
+C3H6+OH=C3H5-T+H2O +1.110E+06 +2.000 +1451.0 ! *:_:* AA *:_:*
+C3H6+HO2=C3H5-A+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* AA *:_:*
+C3H6+HO2=C3H5-S+H2O2 +1.800E+04 +2.500 +27620.0 ! *:_:* AA *:_:*
+C3H6+HO2=C3H5-T+H2O2 +9.000E+03 +2.500 +23590.0 ! *:_:* AA *:_:*
+C3H6+H=C3H5-A+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* AA *:_:*
+C3H6+H=C3H5-S+H2 +8.040E+05 +2.500 +12280.0 ! *:_:* AA *:_:*
+C3H6+H=C3H5-T+H2 +4.050E+05 +2.500 +9794.0 ! *:_:* AA *:_:*
+C3H6+H=C2H4+CH3 +8.800E+16 -1.050 +6461.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 8.800E+016 -1.050 6461.0/
+ PLOG/ 1.0000 8.000E+021 -2.390 11180.0/
+ PLOG/ 10.0000 3.300E+024 -3.040 15610.0/
+C3H6+O2=C3H5-A+HO2 +4.000E+12 +0.000 +39900.0 ! *:_:* AA *:_:*
+C3H6+O2=C3H5-S+HO2 +2.000E+12 +0.000 +62900.0 ! *:_:* AA *:_:*
+C3H6+O2=C3H5-T+HO2 +1.400E+12 +0.000 +60700.0 ! *:_:* AA *:_:*
+C3H6+CH3=C3H5-A+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+C3H6+CH3=C3H5-S+CH4 +1.348E+00 +3.500 +12850.0 ! *:_:* AA *:_:*
+C3H6+CH3=C3H5-T+CH4 +8.400E-01 +3.500 +11660.0 ! *:_:* AA *:_:*
+C3H6+C2H5=C3H5-A+C2H6 +1.000E+11 +0.000 +9800.0 ! *:_:* AA *:_:*
+C3H6+CH3CO3=C3H5-A+CH3CO3H +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+C3H6+CH3O2=C3H5-A+CH3O2H +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+C3H6+HO2=C3H6O1-2+OH +1.290E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C3H6+C2H5O2=C3H5-A+C2H5O2H +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+C3H6+NC3H7O2=C3H5-A+NC3H7O2H +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+C3H6+IC3H7O2=C3H5-A+IC3H7O2H +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+C3H6+OH=C3H6OH +9.930E+11 +0.000 -960.0 ! *:_:* AA *:_:*
+C3H6OH+O2=HOC3H6O2 +1.200E+11 +0.000 -1100.0 ! *:_:* AA *:_:*
+HOC3H6O2=>CH3CHO+CH2O+OH +1.250E+10 +0.000 +18900.0 ! *:_:* AA *:_:*
+C2H2+CH3=C3H5-A +8.200E+53 -13.320 +33200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 8.200E+053 -13.320 33200.0/
+ PLOG/ 1.0000 2.680E+053 -12.820 35730.0/
+ PLOG/ 2.0000 3.640E+052 -12.460 36127.0/
+ PLOG/ 5.0000 1.040E+051 -11.890 36476.0/
+ PLOG/ 10.0000 4.400E+049 -11.400 36700.0/
+ PLOG/ 100.0000 3.800E+044 -9.630 37600.0/
+C3H4-A+H=C3H5-A +9.600E+61 -14.670 +26000.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 9.600E+061 -14.670 26000.0/
+ PLOG/ 1.0000 1.520E+059 -13.540 26949.0/
+ PLOG/ 2.0000 3.780E+057 -12.980 26785.0/
+ PLOG/ 5.0000 7.340E+054 -12.090 26187.0/
+ PLOG/ 10.0000 2.400E+052 -11.300 25400.0/
+ PLOG/ 100.0000 6.900E+041 -8.060 21300.0/
+C3H5-A+HO2=C3H5O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+C3H5-A+CH3O2=C3H5O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+C3H5-A+H=C3H4-A+H2 +1.232E+03 +3.035 +2582.0 ! *:_:* AA *:_:*
+C3H5-A+O=C2H3CHO+H +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-A+OH=>C2H3CHO+2H +5.300E+37 -6.710 +29306.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 5.300E+037 -6.710 29306.0/
+ PLOG/ 1.0000 4.200E+032 -5.160 30126.0/
+ PLOG/ 10.0000 1.600E+020 -1.560 26330.0/
+C3H5-A+OH=C3H4-A+H2O +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-A+CH3=C3H4-A+CH4 +3.000E+12 -0.320 -131.0 ! *:_:* AA *:_:*
+C3H5-A+C2H5=C2H6+C3H4-A +4.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-A+C2H5=C2H4+C3H6 +4.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-A+C2H3=C2H4+C3H4-A +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+2C3H5-A=C3H4-A+C3H6 +8.430E+10 +0.000 -262.0 ! *:_:* AA *:_:*
+C3H5-A+O2=C3H4-A+HO2 +4.990E+15 -1.400 +22428.0 ! *:_:* AA *:_:*
+ PLOG/ 1.0000 4.990E+015 -1.400 22428.0/
+ PLOG/ 10.0000 2.180E+021 -2.850 30755.0/
+C3H5-A+O2=CH3CO+CH2O +1.190E+15 -1.010 +20128.0 ! *:_:* AA *:_:*
+ PLOG/ 1.0000 1.190E+015 -1.010 20128.0/
+ PLOG/ 10.0000 7.140E+015 -1.210 21046.0/
+C3H5-A+O2=C2H3CHO+OH +1.820E+13 -0.410 +22859.0 ! *:_:* AA *:_:*
+ PLOG/ 1.0000 1.820E+013 -0.410 22859.0/
+ PLOG/ 10.0000 2.470E+013 -0.450 23017.0/
+C3H5-A+HCO=C3H6+CO +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+CH3=C3H5-A+H +1.500E+24 -2.830 +18618.0 ! *:_:* AA *:_:*
+C3H5-A=C3H5-T +3.900E+59 -15.420 +75400.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 3.900E+059 -15.420 75400.0/
+ PLOG/ 1.0000 7.060E+056 -14.080 75868.0/
+ PLOG/ 2.0000 4.800E+055 -13.590 75949.0/
+ PLOG/ 5.0000 4.860E+053 -12.810 75883.0/
+ PLOG/ 10.0000 6.400E+051 -12.120 75700.0/
+ PLOG/ 100.0000 2.800E+043 -9.270 74000.0/
+C3H5-A=C3H5-S +1.300E+55 -14.530 +73800.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.300E+055 -14.530 73800.0/
+ PLOG/ 1.0000 5.000E+051 -13.020 73300.0/
+ PLOG/ 10.0000 9.700E+048 -11.730 73700.0/
+ PLOG/ 100.0000 4.860E+044 -9.840 73400.0/
+C2H2+CH3=C3H5-S +1.400E+32 -7.140 +10000.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.400E+032 -7.140 10000.0/
+ PLOG/ 1.0000 3.200E+035 -7.760 13300.0/
+ PLOG/ 10.0000 2.400E+038 -8.210 17100.0/
+ PLOG/ 100.0000 1.400E+039 -8.060 20200.0/
+C3H5-S+O2=CH3CHO+HCO +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+H=C3H4-A+H2 +3.333E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+CH3=C3H4-A+CH4 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H2+CH3=C3H5-T +6.800E+20 -4.160 +18000.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 6.800E+020 -4.160 18000.0/
+ PLOG/ 1.0000 4.990E+022 -4.390 18850.0/
+ PLOG/ 2.0000 6.000E+023 -4.600 19571.0/
+ PLOG/ 5.0000 7.310E+025 -5.060 21150.0/
+ PLOG/ 10.0000 9.300E+027 -5.550 22900.0/
+ PLOG/ 100.0000 3.800E+036 -7.580 31300.0/
+C3H4-A+H=C3H5-T +9.200E+38 -8.650 +7000.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 9.200E+038 -8.650 7000.0/
+ PLOG/ 1.0000 9.460E+042 -9.430 11190.0/
+ PLOG/ 2.0000 8.470E+043 -9.590 12462.0/
+ PLOG/ 5.0000 6.980E+044 -9.700 14032.0/
+ PLOG/ 10.0000 1.500E+045 -9.690 15100.0/
+ PLOG/ 100.0000 1.800E+043 -8.780 16800.0/
+C3H4-P+H=C3H5-T +4.600E+44 -10.210 +10200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 4.600E+044 -10.210 10200.0/
+ PLOG/ 1.0000 1.660E+047 -10.580 13690.0/
+ PLOG/ 2.0000 5.040E+047 -10.610 14707.0/
+ PLOG/ 5.0000 9.620E+047 -10.550 15910.0/
+ PLOG/ 10.0000 7.000E+047 -10.400 16600.0/
+ PLOG/ 100.0000 3.200E+044 -9.110 17400.0/
+C3H5-S+H=C3H4-P+H2 +3.340E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+O=C2H4+HCO +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+OH=>C2H4+HCO+H +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+HO2=>C2H4+HCO+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+HCO=C3H6+CO +9.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-S+CH3=C3H4-P+CH4 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T=C3H5-S +1.600E+44 -12.160 +52200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.600E+044 -12.160 52200.0/
+ PLOG/ 1.0000 1.500E+048 -12.710 53900.0/
+ PLOG/ 10.0000 5.100E+052 -13.370 57200.0/
+ PLOG/ 100.0000 5.800E+051 -12.430 59200.0/
+C3H4-A+H=C3H5-S +1.100E+30 -6.520 +15200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.100E+030 -6.520 15200.0/
+ PLOG/ 1.0000 5.400E+029 -6.090 16300.0/
+ PLOG/ 10.0000 2.600E+031 -6.230 18700.0/
+ PLOG/ 100.0000 3.200E+031 -5.880 21500.0/
+2C3H4-A=C3H5-A+C3H3 +5.000E+14 +0.000 +64746.7 ! *:_:* AA *:_:*
+C3H5-T+O2=C3H4-A+HO2 +1.890E+30 -5.590 +15540.0 ! *:_:* AA *:_:*
+C3H5-T+O2=CH3COCH2+O +3.810E+17 -1.360 +5580.0 ! *:_:* AA *:_:*
+C3H5-T+O2=CH3CO+CH2O +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+H=C3H4-P+H2 +3.340E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+CH3=C3H4-P+CH4 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+O=CH3+CH2CO +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+OH=>CH3+CH2CO+H +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+HO2=>CH3+CH2CO+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-T+HCO=C3H6+CO +9.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H4-P=C3H4-A +6.400E+61 -14.590 +88200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 6.400E+061 -14.590 88200.0/
+ PLOG/ 0.4000 5.810E+062 -14.630 91211.0/
+ PLOG/ 1.0000 5.150E+060 -13.930 91117.0/
+ PLOG/ 2.0000 7.640E+059 -13.590 91817.0/
+ PLOG/ 5.0000 3.120E+058 -13.070 92680.0/
+ PLOG/ 10.0000 1.900E+057 -12.620 93300.0/
+ PLOG/ 100.0000 1.400E+052 -10.860 95400.0/
+C3H3+HO2=C3H4-A+O2 +3.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H4-A+HO2=>CH2CO+CH2+OH +4.000E+12 +0.000 +19000.0 ! *:_:* AA *:_:*
+C3H4-A+OH=CH2CO+CH3 +3.120E+12 +0.000 -397.0 ! *:_:* AA *:_:*
+C3H4-A+OH=C3H3+H2O +5.300E+06 +2.000 +2000.0 ! *:_:* AA *:_:*
+C3H4-A+O=C2H4+CO +2.000E+07 +1.800 +1000.0 ! *:_:* AA *:_:*
+C3H4-A+O=C2H2+CH2O +3.000E-03 +4.610 -4243.0 ! *:_:* AA *:_:*
+C3H4-A+H=C3H3+H2 +1.300E+06 +2.000 +5500.0 ! *:_:* AA *:_:*
+C3H4-A+CH3=C3H3+CH4 +1.300E+12 +0.000 +7700.0 ! *:_:* AA *:_:*
+C3H4-A+C3H5-A=C3H3+C3H6 +2.000E+11 +0.000 +7700.0 ! *:_:* AA *:_:*
+C3H4-A+C2H=C2H2+C3H3 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H4-P=CC3H4 +3.400E+46 -10.970 +68900.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 3.400E+046 -10.970 68900.0/
+ PLOG/ 0.4000 2.840E+045 -10.450 69284.0/
+ PLOG/ 1.0000 1.200E+044 -9.920 69250.0/
+ PLOG/ 2.0000 5.470E+042 -9.430 69089.0/
+ PLOG/ 5.0000 3.920E+040 -8.690 68706.0/
+ PLOG/ 10.0000 5.300E+038 -8.060 68300.0/
+ PLOG/ 100.0000 2.800E+031 -5.690 66400.0/
+C3H4-P+H=C3H4-A+H +2.300E+15 -0.260 +7600.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 2.300E+015 -0.260 7600.0/
+ PLOG/ 1.0000 6.270E+017 -0.910 10079.0/
+ PLOG/ 2.0000 1.500E+018 -1.000 10756.0/
+ PLOG/ 5.0000 1.930E+018 -1.010 11523.0/
+ PLOG/ 10.0000 3.100E+022 -2.180 14800.0/
+ PLOG/ 100.0000 6.400E+027 -3.580 21200.0/
+C3H4-P+H=C3H5-S +1.000E+25 -5.000 +1800.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.000E+025 -5.000 1800.0/
+ PLOG/ 1.0000 5.500E+028 -5.740 4300.0/
+ PLOG/ 10.0000 1.000E+034 -6.880 8900.0/
+ PLOG/ 100.0000 9.700E+037 -7.630 13800.0/
+C3H4-P+H=C3H5-A +1.100E+60 -14.560 +28100.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 1.100E+060 -14.560 28100.0/
+ PLOG/ 1.0000 4.910E+060 -14.370 31644.0/
+ PLOG/ 2.0000 3.040E+060 -14.190 32642.0/
+ PLOG/ 5.0000 9.020E+059 -13.890 33953.0/
+ PLOG/ 10.0000 2.200E+059 -13.610 34900.0/
+ PLOG/ 100.0000 1.600E+055 -12.070 37500.0/
+C3H4-P+H=C3H3+H2 +1.300E+06 +2.000 +5500.0 ! *:_:* AA *:_:*
+C3H4-P+C3H3=C3H4-A+C3H3 +6.140E+06 +1.740 +10450.0 ! *:_:* AA *:_:*
+C3H4-P+O=HCCO+CH3 +7.300E+12 +0.000 +2250.0 ! *:_:* AA *:_:*
+C3H4-P+O=C2H4+CO +1.000E+13 +0.000 +2250.0 ! *:_:* AA *:_:*
+C3H4-P+OH=C3H3+H2O +1.000E+06 +2.000 +100.0 ! *:_:* AA *:_:*
+C3H4-P+C2H=C2H2+C3H3 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H4-P+CH3=C3H3+CH4 +1.800E+12 +0.000 +7700.0 ! *:_:* AA *:_:*
+C2H2+CH3=C3H4-P+H +4.500E+06 +1.860 +11600.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 4.500E+006 1.860 11600.0/
+ PLOG/ 1.0000 2.560E+009 1.100 13644.0/
+ PLOG/ 2.0000 2.070E+010 0.850 14415.0/
+ PLOG/ 5.0000 2.510E+011 0.560 15453.0/
+ PLOG/ 10.0000 1.100E+012 0.390 16200.0/
+ PLOG/ 100.0000 2.100E+012 0.370 18100.0/
+CC3H4=C3H4-A +2.300E+39 -8.810 +47800.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 2.300E+039 -8.810 47800.0/
+ PLOG/ 0.4000 7.590E+040 -9.070 48831.0/
+ PLOG/ 1.0000 4.890E+041 -9.170 49594.0/
+ PLOG/ 2.0000 8.810E+041 -9.150 50073.0/
+ PLOG/ 5.0000 4.330E+041 -8.930 50475.0/
+ PLOG/ 10.0000 7.200E+040 -8.600 50600.0/
+ PLOG/ 100.0000 1.600E+035 -6.640 49500.0/
+C3H3+H=C3H4-P +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+H=C3H4-A +2.500E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H+CH3=C3H4-P +8.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+HO2=C3H4-P+O2 +2.500E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H4-P+HO2=>C2H4+CO+OH +3.000E+12 +0.000 +19000.0 ! *:_:* AA *:_:*
+C3H4-P+OH=CH2CO+CH3 +5.000E-04 +4.500 -1000.0 ! *:_:* AA *:_:*
+C3H4-P+O=C2H3+HCO +3.200E+12 +0.000 +2010.0 ! *:_:* AA *:_:*
+C3H4-P+O=C3H3+OH +7.650E+08 +1.500 +8600.0 ! *:_:* AA *:_:*
+C3H4-P+C2H3=C3H3+C2H4 +1.000E+12 +0.000 +7700.0 ! *:_:* AA *:_:*
+C3H4-P+C3H5-A=C3H3+C3H6 +1.000E+12 +0.000 +7700.0 ! *:_:* AA *:_:*
+C3H3+O=CH2O+C2H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+O2=CH2CO+HCO +3.000E+10 +0.000 +2868.0 ! *:_:* AA *:_:*
+C3H3+HO2=>OH+CO+C2H3 +8.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+HCO=C3H4-A+CO +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+HCO=C3H4-P+CO +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H5+C2H=C3H3+CH3 +1.810E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H4-A+HO2=>C2H4+CO+OH +1.000E+12 +0.000 +14000.0 ! *:_:* AA *:_:*
+C3H4-A+HO2=C3H3+H2O2 +3.000E+13 +0.000 +14000.0 ! *:_:* AA *:_:*
+C2H2+CH3=C3H4-A+H +2.400E+09 +0.910 +20700.0 ! *:_:* AA *:_:*
+ PLOG/ 0.1000 2.400E+009 0.910 20700.0/
+ PLOG/ 1.0000 5.140E+009 0.860 22153.0/
+ PLOG/ 2.0000 1.330E+010 0.750 22811.0/
+ PLOG/ 5.0000 9.200E+010 0.540 23950.0/
+ PLOG/ 10.0000 5.100E+011 0.350 25000.0/
+ PLOG/ 100.0000 7.300E+012 0.110 28500.0/
+CH3CHCO+OH=C2H5+CO2 +1.730E+12 +0.000 -1010.0 ! *:_:* AA *:_:*
+CH3CHCO+OH=SC2H4OH+CO +2.000E+12 +0.000 -1010.0 ! *:_:* AA *:_:*
+CH3CHCO+H=C2H5+CO +4.400E+12 +0.000 +1459.0 ! *:_:* AA *:_:*
+CH3CHCO+O=CH3CHO+CO +3.200E+12 +0.000 -437.0 ! *:_:* AA *:_:*
+NC3H7+HO2=NC3H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7+HO2=IC3H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+CH3O2+NC3H7=CH3O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+CH3O2+IC3H7=CH3O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7+O2=NC3H7O2 +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7+O2=IC3H7O2 +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+NC3H7O2+CH2O=NC3H7O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+NC3H7O2+CH3CHO=NC3H7O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+IC3H7O2+CH2O=IC3H7O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+IC3H7O2+CH3CHO=IC3H7O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+NC3H7O2+HO2=NC3H7O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+IC3H7O2+HO2=IC3H7O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+C2H4+NC3H7O2=C2H3+NC3H7O2H +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+C2H4+IC3H7O2=C2H3+IC3H7O2H +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+CH3OH+NC3H7O2=CH2OH+NC3H7O2H +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+CH3OH+IC3H7O2=CH2OH+IC3H7O2H +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+C2H3CHO+NC3H7O2=C2H3CO+NC3H7O2H +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+C2H3CHO+IC3H7O2=C2H3CO+IC3H7O2H +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+CH4+NC3H7O2=CH3+NC3H7O2H +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:*
+CH4+IC3H7O2=CH3+IC3H7O2H +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:*
+NC3H7O2+CH3O2=>NC3H7O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC3H7O2+CH3O2=>IC3H7O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+H2+NC3H7O2=H+NC3H7O2H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:*
+H2+IC3H7O2=H+IC3H7O2H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:*
+IC3H7O2+C2H6=IC3H7O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+NC3H7O2+C2H6=NC3H7O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC3H7O2+C2H5CHO=IC3H7O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:*
+NC3H7O2+C2H5CHO=NC3H7O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:*
+IC3H7O2+CH3CO3=>IC3H7O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+NC3H7O2+CH3CO3=>NC3H7O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC3H7O2+C2H5O2=>IC3H7O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+NC3H7O2+C2H5O2=>NC3H7O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+2IC3H7O2=>O2+2IC3H7O +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+2NC3H7O2=>O2+2NC3H7O +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC3H7O2+NC3H7O2=>IC3H7O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC3H7O2+CH3=IC3H7O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7O2+C2H5=IC3H7O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7O2+IC3H7=2IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7O2+NC3H7=IC3H7O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7O2+C3H5-A=IC3H7O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+CH3=NC3H7O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+C2H5=NC3H7O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+IC3H7=NC3H7O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+NC3H7=2NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+C3H5-A=NC3H7O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2H=NC3H7O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* AA *:_:*
+IC3H7O+OH=IC3H7O2H +1.000E+15 -0.800 +0.0 ! *:_:* AA *:_:*
+C2H5+CH2O=NC3H7O +1.000E+11 +0.000 +3496.0 ! *:_:* AA *:_:*
+C2H5CHO+H=NC3H7O +4.000E+12 +0.000 +6260.0 ! *:_:* AA *:_:*
+CH3+CH3CHO=IC3H7O +1.000E+11 +0.000 +9256.0 ! *:_:* AA *:_:*
+CH3COCH3+H=IC3H7O +2.000E+12 +0.000 +7270.0 ! *:_:* AA *:_:*
+IC3H7O+O2=CH3COCH3+HO2 +9.090E+09 +0.000 +390.0 ! *:_:* AA *:_:*
+NC3H7O2=C3H6OOH1-2 +6.000E+11 +0.000 +26850.0 ! *:_:* AA *:_:*
+NC3H7O2=C3H6OOH1-3 +1.125E+11 +0.000 +24400.0 ! *:_:* AA *:_:*
+IC3H7O2=C3H6OOH2-1 +1.800E+12 +0.000 +29400.0 ! *:_:* AA *:_:*
+IC3H7O2=C3H6OOH2-2 +1.230E+35 -6.960 +48880.0 ! *:_:* AA *:_:*
+C3H6OOH1-2=C3H6O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:*
+C3H6OOH1-3=C3H6O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:*
+C3H6OOH2-1=C3H6O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:*
+C3H6+HO2=C3H6OOH1-2 +1.000E+11 +0.000 +11000.0 ! *:_:* AA *:_:*
+C3H6+HO2=C3H6OOH2-1 +1.000E+11 +0.000 +11750.0 ! *:_:* AA *:_:*
+C3H6OOH1-3=>OH+CH2O+C2H4 +3.035E+15 -0.790 +27400.0 ! *:_:* AA *:_:*
+C3H6OOH2-1=C2H3OOH+CH3 +6.540E+27 -5.140 +38320.0 ! *:_:* AA *:_:*
+C3H6OOH1-2=>C2H4+CH2O+OH +1.310E+33 -7.010 +48120.0 ! *:_:* AA *:_:*
+C3H6OOH2-2=CH3COCH3+OH +9.000E+14 +0.000 +1500.0 ! *:_:* AA *:_:*
+C3H6OOH1-2+O2=C3H6OOH1-2O2 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H6OOH1-3+O2=C3H6OOH1-3O2 +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H6OOH2-1+O2=C3H6OOH2-1O2 +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H6OOH1-2O2=C3KET12+OH +6.000E+11 +0.000 +26400.0 ! *:_:* AA *:_:*
+C3H6OOH1-3O2=C3KET13+OH +7.500E+10 +0.000 +21400.0 ! *:_:* AA *:_:*
+C3H6OOH2-1O2=C3KET21+OH +3.000E+11 +0.000 +23850.0 ! *:_:* AA *:_:*
+C3H6OOH2-1O2=C3H51-2,3OOH +1.125E+11 +0.000 +24400.0 ! *:_:* AA *:_:*
+C3H6OOH1-2O2=C3H51-2,3OOH +9.000E+11 +0.000 +29400.0 ! *:_:* AA *:_:*
+C3H51-2,3OOH=AC3H5OOH+HO2 +2.560E+13 -0.490 +17770.0 ! *:_:* AA *:_:*
+C3H6OOH1-3O2=C3H52-1,3OOH +6.000E+11 +0.000 +26850.0 ! *:_:* AA *:_:*
+C3H52-1,3OOH=AC3H5OOH+HO2 +1.150E+14 -0.630 +17250.0 ! *:_:* AA *:_:*
+C3KET12=>CH3CHO+HCO+OH +9.450E+15 +0.000 +43000.0 ! *:_:* AA *:_:*
+C3KET13=>CH2O+CH2CHO+OH +1.000E+16 +0.000 +43000.0 ! *:_:* AA *:_:*
+C3KET21=>CH2O+CH3CO+OH +1.000E+16 +0.000 +43000.0 ! *:_:* AA *:_:*
+C3H5O+OH=AC3H5OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5O=C2H3CHO+H +1.000E+14 +0.000 +29100.0 ! *:_:* AA *:_:*
+C2H3+CH2O=C3H5O +1.500E+11 +0.000 +10600.0 ! *:_:* AA *:_:*
+C3H5O+O2=C2H3CHO+HO2 +1.000E+12 +0.000 +6000.0 ! *:_:* AA *:_:*
+C2H3OOH=CH2CHO+OH +8.400E+14 +0.000 +43000.0 ! *:_:* AA *:_:*
+C3H6O1-2=C2H4+CH2O +6.000E+14 +0.000 +60000.0 ! *:_:* AA *:_:*
+C3H6O1-2+OH=>CH2O+C2H3+H2O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H6O1-2+H=>CH2O+C2H3+H2 +2.630E+07 +2.000 +5000.0 ! *:_:* AA *:_:*
+C3H6O1-2+O=>CH2O+C2H3+OH +8.430E+13 +0.000 +5200.0 ! *:_:* AA *:_:*
+C3H6O1-2+HO2=>CH2O+C2H3+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* AA *:_:*
+C3H6O1-2+CH3O2=>CH2O+C2H3+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* AA *:_:*
+C3H6O1-2+CH3=>CH2O+C2H3+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* AA *:_:*
+C3H6O1-3=C2H4+CH2O +6.000E+14 +0.000 +60000.0 ! *:_:* AA *:_:*
+C3H6O1-3+OH=>CH2O+C2H3+H2O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H6O1-3+O=>CH2O+C2H3+OH +8.430E+13 +0.000 +5200.0 ! *:_:* AA *:_:*
+C3H6O1-3+H=>CH2O+C2H3+H2 +2.630E+07 +2.000 +5000.0 ! *:_:* AA *:_:*
+C3H6O1-3+CH3O2=>CH2O+C2H3+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* AA *:_:*
+C3H6O1-3+HO2=>CH2O+C2H3+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* AA *:_:*
+C3H6O1-3+CH3=>CH2O+C2H3+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* AA *:_:*
+IC3H7O2=C3H6+HO2 +1.196E+43 -9.430 +41530.0 ! *:_:* AA *:_:*
+NC3H7O2=C3H6+HO2 +4.308E+36 -7.500 +39510.0 ! *:_:* AA *:_:*
+C4H10(+M)=2C2H5(+M) +1.355E+37 -6.036 +92929.0 ! *:_:* AA *:_:*
+ LOW/ 4.720E+018 0.000 49578.0/
+ TROE/ 7.998E-002 1.000E-020 3.243E+004 4.858E+003/
+C4H10(+M)=NC3H7+CH3(+M) +6.600E+52 -10.626 +100330.0 ! *:_:* AA *:_:*
+ LOW/ 5.340E+017 0.000 42959.0/
+ TROE/ 9.502E-002 1.000E-020 5.348E+003 4.326E+003/
+PC4H9+H=C4H10 +3.610E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+SC4H9+H=C4H10 +3.610E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H10+O2=PC4H9+HO2 +6.000E+13 +0.000 +52340.0 ! *:_:* AA *:_:*
+C4H10+O2=SC4H9+HO2 +4.000E+13 +0.000 +49800.0 ! *:_:* AA *:_:*
+C4H10+C3H5-A=PC4H9+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:*
+C4H10+C3H5-A=SC4H9+C3H6 +3.160E+11 +0.000 +16400.0 ! *:_:* AA *:_:*
+C4H10+C2H5=PC4H9+C2H6 +1.580E+11 +0.000 +12300.0 ! *:_:* AA *:_:*
+C4H10+C2H5=SC4H9+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:*
+C4H10+C2H3=PC4H9+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* AA *:_:*
+C4H10+C2H3=SC4H9+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* AA *:_:*
+C4H10+CH3=PC4H9+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* AA *:_:*
+C4H10+CH3=SC4H9+CH4 +3.020E+00 +3.460 +5481.0 ! *:_:* AA *:_:*
+C4H10+H=PC4H9+H2 +3.490E+05 +2.690 +6450.0 ! *:_:* AA *:_:*
+C4H10+H=SC4H9+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* AA *:_:*
+C4H10+OH=PC4H9+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* AA *:_:*
+C4H10+OH=SC4H9+H2O +9.340E+07 +1.610 -35.0 ! *:_:* AA *:_:*
+C4H10+O=PC4H9+OH +1.130E+14 +0.000 +7850.0 ! *:_:* AA *:_:*
+C4H10+O=SC4H9+OH +5.620E+13 +0.000 +5200.0 ! *:_:* AA *:_:*
+C4H10+HO2=PC4H9+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* AA *:_:*
+C4H10+HO2=SC4H9+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* AA *:_:*
+C4H10+CH3O=PC4H9+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H10+CH3O=SC4H9+CH3OH +6.000E+11 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H10+C2H5O=PC4H9+C2H5OH +3.000E+11 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H10+C2H5O=SC4H9+C2H5OH +6.000E+11 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H10+PC4H9=SC4H9+C4H10 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:*
+C4H10+CH3CO3=PC4H9+CH3CO3H +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+C4H10+CH3CO3=SC4H9+CH3CO3H +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:*
+C4H10+O2CHO=PC4H9+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* AA *:_:*
+C4H10+O2CHO=SC4H9+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* AA *:_:*
+CH3O2+C4H10=CH3O2H+PC4H9 +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:*
+CH3O2+C4H10=CH3O2H+SC4H9 +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:*
+C2H5O2+C4H10=C2H5O2H+PC4H9 +4.080E+01 +3.590 +17160.0 ! *:_:* AA *:_:*
+C2H5O2+C4H10=C2H5O2H+SC4H9 +1.264E+02 +3.370 +13720.0 ! *:_:* AA *:_:*
+NC3H7O2+C4H10=NC3H7O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+NC3H7O2+C4H10=NC3H7O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:*
+IC3H7O2+C4H10=IC3H7O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC3H7O2+C4H10=IC3H7O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:*
+PC4H9O2+C3H8=PC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+PC4H9O2+C3H8=PC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+PC4H9O2+C4H10=PC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+PC4H9O2+C4H10=PC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:*
+SC4H9O2+C3H8=SC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+SC4H9O2+C3H8=SC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+SC4H9O2+C4H10=SC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+SC4H9O2+C4H10=SC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:*
+PC4H9=SC4H9 +3.560E+10 +0.880 +37300.0 ! *:_:* AA *:_:*
+ DUP
+PC4H9=SC4H9 +3.800E+10 +0.670 +36600.0 ! *:_:* AA *:_:*
+ DUP
+C2H5+C2H4=PC4H9 +1.320E+04 +2.480 +6130.0 ! *:_:* AA *:_:*
+C3H6+CH3=SC4H9 +1.760E+04 +2.480 +6130.0 ! *:_:* AA *:_:*
+C4H8-1+H=PC4H9 +2.500E+11 +0.510 +2620.0 ! *:_:* AA *:_:*
+C4H8-2+H=SC4H9 +2.500E+11 +0.510 +2620.0 ! *:_:* AA *:_:*
+C4H8-1+H=SC4H9 +4.240E+11 +0.510 +1230.0 ! *:_:* AA *:_:*
+PC4H9+O2=C4H8-1+HO2 +8.370E-01 +3.590 +11960.0 ! *:_:* AA *:_:*
+SC4H9+O2=C4H8-1+HO2 +5.350E-01 +3.710 +9322.0 ! *:_:* AA *:_:*
+SC4H9+O2=C4H8-2+HO2 +1.070E+00 +3.710 +9322.0 ! *:_:* AA *:_:*
+C2H3+C2H5=C4H8-1 +9.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-A+CH3(+M)=C4H8-1(+M) +1.000E+14 -0.320 -262.3 ! *:_:* AA *:_:*
+ LOW/ 3.910E+060 -12.810 6250.0/
+ TROE/ 1.040E-001 1.606E+003 6.000E+004 6.118E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+H+C4H71-3=C4H8-1 +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8-1+O2=C4H71-3+HO2 +2.000E+13 +0.000 +37190.0 ! *:_:* AA *:_:*
+C4H8-1+O=C4H71-3+OH +1.750E+11 +0.700 +5884.0 ! *:_:* AA *:_:*
+C4H8-2+O=C4H71-3+OH +2.190E+11 +0.810 +7550.0 ! *:_:* AA *:_:*
+C4H8-1+H=C4H71-3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* AA *:_:*
+C4H8-1+H=C4H71-4+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* AA *:_:*
+C4H8-1+OH=C4H71-1+H2O +9.000E+05 +2.000 +2500.0 ! *:_:* AA *:_:*
+C4H8-1+OH=C4H71-2+H2O +2.220E+06 +2.000 +1451.0 ! *:_:* AA *:_:*
+C4H8-1+OH=C4H71-3+H2O +3.120E+06 +2.000 -298.0 ! *:_:* AA *:_:*
+C4H8-1+OH=C4H71-4+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* AA *:_:*
+C4H8-1+CH3=C4H71-3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+C4H8-1+CH3=C4H71-4+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* AA *:_:*
+C4H8-1+HO2=C4H71-3+H2O2 +2.700E+04 +0.700 +5884.0 ! *:_:* AA *:_:*
+C4H8-1+HO2=C4H71-4+H2O2 +2.380E+03 +2.550 +16490.0 ! *:_:* AA *:_:*
+C4H8-1+CH3O2=C4H71-3+CH3O2H +2.700E+04 +0.700 +5884.0 ! *:_:* AA *:_:*
+C4H8-1+CH3O2=C4H71-4+CH3O2H +2.380E+03 +2.550 +16490.0 ! *:_:* AA *:_:*
+C4H8-1+CH3O=C4H71-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* AA *:_:*
+C4H8-1+CH3O=C4H71-4+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:*
+C4H8-1+CH3CO3=C4H71-3+CH3CO3H +1.000E+11 +0.000 +8000.0 ! *:_:* AA *:_:*
+C4H8-1+C3H5-A=C4H71-3+C3H6 +7.900E+10 +0.000 +12400.0 ! *:_:* AA *:_:*
+2C4H71-3=C4H8-1+C4H6 +1.600E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8-1+C2H5O2=C4H71-3+C2H5O2H +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-1+NC3H7O2=C4H71-3+NC3H7O2H +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-1+IC3H7O2=C4H71-3+IC3H7O2H +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-1+PC4H9O2=C4H71-3+PC4H9O2H +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-1+SC4H9O2=C4H71-3+SC4H9O2H +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-1+CH3O2=C4H8O1-2+CH3O +1.000E+12 +0.000 +14340.0 ! *:_:* AA *:_:*
+H+C4H71-3=C4H8-2 +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8-2+O2=C4H71-3+HO2 +4.000E+13 +0.000 +39390.0 ! *:_:* AA *:_:*
+C4H8-2+H=C4H71-3+H2 +4.440E+04 +2.810 +4414.0 ! *:_:* AA *:_:*
+C4H8-2+OH=C4H71-3+H2O +5.100E+08 +1.400 +1250.0 ! *:_:* AA *:_:*
+C4H8-2+CH3=C4H71-3+CH4 +7.140E+00 +3.570 +7642.0 ! *:_:* AA *:_:*
+C4H8-2+HO2=C4H71-3+H2O2 +5.940E+04 +2.570 +16140.0 ! *:_:* AA *:_:*
+C4H8-2+CH3O2=C4H71-3+CH3O2H +5.940E+04 +2.570 +16140.0 ! *:_:* AA *:_:*
+C4H8-2+CH3O=C4H71-3+CH3OH +1.800E+01 +2.950 +11990.0 ! *:_:* AA *:_:*
+C4H8-2+C2H5O2=C4H71-3+C2H5O2H +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-2+NC3H7O2=C4H71-3+NC3H7O2H +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-2+IC3H7O2=C4H71-3+IC3H7O2H +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-2+PC4H9O2=C4H71-3+PC4H9O2H +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-2+SC4H9O2=C4H71-3+SC4H9O2H +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+C4H8-1+HO2=C4H8O1-2+OH +1.000E+12 +0.000 +14340.0 ! *:_:* AA *:_:*
+C4H8-2+HO2=C4H8O2-3+OH +5.620E+11 +0.000 +12310.0 ! *:_:* AA *:_:*
+C4H8-2+CH3O2=C4H8O2-3+CH3O +5.620E+11 +0.000 +12310.0 ! *:_:* AA *:_:*
+C4H8-1+OH=PC4H8OH +4.750E+12 +0.000 -782.0 ! *:_:* AA *:_:*
+C4H8-2+OH=SC4H8OH +4.750E+12 +0.000 -782.0 ! *:_:* AA *:_:*
+PC4H8OH+O2=C4H8OH-1O2 +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+SC4H8OH+O2=C4H8OH-2O2 +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8OH-1O2=>C2H5CHO+CH2O+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:*
+C4H8OH-2O2=>OH+2CH3CHO +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:*
+C2H2+C2H5=C4H71-1 +2.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+C3H4-A+CH3=C4H71-2 +2.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+C2H4+C2H3=C4H71-4 +2.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+C3H4-P+CH3=C4H72-2 +1.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+C4H6+H=C4H71-3 +4.000E+13 +0.000 +1300.0 ! *:_:* AA *:_:*
+C4H71-3+C2H5=C4H8-1+C2H4 +2.590E+12 +0.000 -131.0 ! *:_:* AA *:_:*
+C4H71-3+CH3O=C4H8-1+CH2O +2.410E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H71-3+O=C2H3CHO+CH3 +6.030E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H71-3+HO2=C4H7O+OH +9.640E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H71-3+CH3O2=C4H7O+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H5-A+C4H71-3=C3H6+C4H6 +6.310E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H71-3+O2=C4H6+HO2 +1.000E+09 +0.000 +0.0 ! *:_:* AA *:_:*
+H+C4H71-3=C4H6+H2 +3.160E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H5+C4H71-3=C4H6+C2H6 +3.980E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3+C4H71-3=C2H4+C4H6 +3.980E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H71-3+C2H5O2=C4H7O+C2H5O +3.800E+12 +0.000 -1200.0 ! *:_:* AA *:_:*
+IC3H7O2+C4H71-3=IC3H7O+C4H7O +3.800E+12 +0.000 -1200.0 ! *:_:* AA *:_:*
+NC3H7O2+C4H71-3=NC3H7O+C4H7O +3.800E+12 +0.000 -1200.0 ! *:_:* AA *:_:*
+C4H7O=CH3CHO+C2H3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:*
+C4H7O=C2H3CHO+CH3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:*
+C4H6=C4H5+H +5.700E+36 -6.270 +112353.0 ! *:_:* AA *:_:*
+C4H6=NC4H5+H +5.300E+44 -8.620 +123608.0 ! *:_:* AA *:_:*
+C4H6=C4H4+H2 +2.500E+15 +0.000 +94700.0 ! *:_:* AA *:_:*
+C4H6+H=NC4H5+H2 +1.330E+06 +2.530 +12240.0 ! *:_:* AA *:_:*
+C4H6+H=C4H5+H2 +6.650E+05 +2.530 +9240.0 ! *:_:* AA *:_:*
+C4H6+H=C2H4+C2H3 +1.460E+30 -4.340 +21647.0 ! *:_:* AA *:_:*
+ PLOG/ 1.0000 1.460E+030 -4.340 21647.0/
+ PLOG/ 10.0000 5.450E+030 -4.510 21877.0/
+C4H6+H=C3H4-P+CH3 +2.000E+12 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H6+H=C3H4-A+CH3 +2.000E+12 +0.000 +7000.0 ! *:_:* AA *:_:*
+C4H6+O=NC4H5+OH +7.500E+06 +1.900 +3740.0 ! *:_:* AA *:_:*
+C4H6+O=C4H5+OH +7.500E+06 +1.900 +3740.0 ! *:_:* AA *:_:*
+C4H6+O=C2H2+C2H4O1-2 +1.000E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+C4H6+O=AC3H5CO+H +5.000E+07 +1.450 -860.0 ! *:_:* AA *:_:*
+C4H6+O=CXOCXCCJ+H +4.500E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+C4H6+OH=NC4H5+H2O +6.200E+06 +2.000 +3430.0 ! *:_:* AA *:_:*
+C4H6+OH=C4H5+H2O +3.100E+06 +2.000 +430.0 ! *:_:* AA *:_:*
+C4H6+HO2=C4H6O25+OH +1.200E+12 +0.000 +14000.0 ! *:_:* AA *:_:*
+C4H6+HO2=C2H3CHOCH2+OH +4.800E+12 +0.000 +14000.0 ! *:_:* AA *:_:*
+C4H6+CH3=NC4H5+CH4 +2.000E+14 +0.000 +22800.0 ! *:_:* AA *:_:*
+C4H6+CH3=C4H5+CH4 +1.000E+14 +0.000 +19800.0 ! *:_:* AA *:_:*
+C4H6+C2H3=NC4H5+C2H4 +5.000E+13 +0.000 +22800.0 ! *:_:* AA *:_:*
+C4H6+C2H3=C4H5+C2H4 +2.500E+13 +0.000 +19800.0 ! *:_:* AA *:_:*
+C4H6+C3H3=NC4H5+C3H4-A +1.000E+13 +0.000 +22500.0 ! *:_:* AA *:_:*
+C4H6+C3H3=C4H5+C3H4-A +5.000E+12 +0.000 +19500.0 ! *:_:* AA *:_:*
+C4H6+C3H5-A=NC4H5+C3H6 +1.000E+13 +0.000 +22500.0 ! *:_:* AA *:_:*
+C4H6+C3H5-A=C4H5+C3H6 +5.000E+12 +0.000 +19500.0 ! *:_:* AA *:_:*
+C4H71-4=C4H6+H +2.480E+53 -12.300 +52000.0 ! *:_:* AA *:_:*
+ PLOG/ 1.0000 2.480E+053 -12.300 52000.0/
+ PLOG/ 10.0000 1.850E+048 -10.500 51770.0/
+C2H3+C2H2=C4H4+H +7.200E+13 -0.480 +6100.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 7.200E+013 -0.480 6100.0/
+ PLOG/ 0.0263 5.000E+014 -0.710 6700.0/
+ PLOG/ 0.1200 4.600E+016 -1.250 8400.0/
+ PLOG/ 1.0000 2.000E+018 -1.680 10600.0/
+ PLOG/ 10.0000 4.900E+016 -1.130 11800.0/
+C2H3+C2H2=NC4H5 +1.100E+31 -7.140 +5600.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 1.100E+031 -7.140 5600.0/
+ PLOG/ 0.0263 1.100E+032 -7.330 6200.0/
+ PLOG/ 0.1200 2.400E+031 -6.950 5600.0/
+ PLOG/ 1.0000 9.300E+038 -8.760 12000.0/
+ PLOG/ 10.0000 8.100E+037 -8.090 13400.0/
+C2H3+C2H2=C4H5 +5.000E+34 -8.420 +7900.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 5.000E+034 -8.420 7900.0/
+ PLOG/ 0.0263 2.100E+036 -8.780 9100.0/
+ PLOG/ 0.1200 1.000E+037 -8.770 9800.0/
+ PLOG/ 1.0000 1.600E+046 -10.980 18600.0/
+ PLOG/ 10.0000 5.100E+053 -12.640 28800.0/
+2C2H3=C4H6 +7.000E+57 -13.820 +17629.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0263 7.000E+057 -13.820 17629.0/
+ PLOG/ 0.1200 1.500E+052 -11.970 16056.0/
+ PLOG/ 1.0000 1.500E+042 -8.840 12483.0/
+2C2H3=C4H5+H +1.500E+30 -4.950 +12958.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0263 1.500E+030 -4.950 12958.0/
+ PLOG/ 0.1200 7.200E+028 -4.490 14273.0/
+ PLOG/ 1.0000 1.200E+022 -2.440 13654.0/
+2C2H3=NC4H5+H +1.100E+24 -3.280 +12395.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0263 1.100E+024 -3.280 12395.0/
+ PLOG/ 0.1200 4.600E+024 -3.380 14650.0/
+ PLOG/ 1.0000 2.400E+020 -2.040 15361.0/
+NC4H5=C4H5 +2.400E+60 -16.080 +47500.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 2.400E+060 -16.080 47500.0/
+ PLOG/ 0.0263 1.300E+062 -16.380 49600.0/
+ PLOG/ 0.1200 4.900E+066 -17.260 55400.0/
+ PLOG/ 1.0000 1.500E+067 -16.890 59100.0/
+ PLOG/ 10.0000 2.000E+060 -14.460 58600.0/
+NC4H5+H=C4H5+H +3.100E+26 -3.350 +17423.0 ! *:_:* AA *:_:*
+NC4H5+H=C4H4+H2 +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+OH=C4H4+H2O +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+HCO=C4H6+CO +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+HO2=>C2H3+CH2CO+OH +6.600E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+H2O2=C4H6+HO2 +1.210E+10 +0.000 -596.0 ! *:_:* AA *:_:*
+NC4H5+HO2=C4H6+O2 +6.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H5+O2=CXOCXCCJ+O +3.000E+11 +0.290 +11.0 ! *:_:* AA *:_:*
+NC4H5+O2=HCO+C2H3CHO +9.200E+16 -1.390 +1010.0 ! *:_:* AA *:_:*
+C4H5+H=C4H4+H2 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+H=C3H3+CH3 +2.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+C4H5+OH=C4H4+H2O +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+HCO=C4H6+CO +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+HO2=C4H6+O2 +6.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+HO2=>C2H3+CH2CO+OH +6.600E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5+H2O2=C4H6+HO2 +1.210E+10 +0.000 -596.0 ! *:_:* AA *:_:*
+C4H5+O2=CH2CO+CH2CHO +2.160E+10 +0.000 +2500.0 ! *:_:* AA *:_:*
+C4H5-2=C4H5 +1.500E+67 -16.890 +59100.0 ! *:_:* AA *:_:*
+C4H5-2+H=C4H5+H +3.100E+26 -3.350 +17423.0 ! *:_:* AA *:_:*
+C4H5-2+HO2=>OH+C2H2+CH3CO +8.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H5-2+O2=CH3CO+CH2CO +2.160E+10 +0.000 +2500.0 ! *:_:* AA *:_:*
+CH2CCHCH3=C4H5+H +4.200E+15 +0.000 +92600.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C4H6+H +2.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C4H5+H2 +1.700E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C3H4-A+CH3 +2.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+CH2CCHCH3+H=C3H4-P+CH3 +2.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+CH2CCHCH3+CH3=C4H5+CH4 +7.000E+13 +0.000 +18500.0 ! *:_:* AA *:_:*
+CH2CCHCH3+O=CH2CO+C2H4 +1.200E+08 +1.650 +327.0 ! *:_:* AA *:_:*
+CH2CCHCH3+O=C4H5+OH +1.800E+11 +0.700 +5880.0 ! *:_:* AA *:_:*
+CH2CCHCH3+OH=C4H5+H2O +3.100E+06 +2.000 -298.0 ! *:_:* AA *:_:*
+CH2CCHCH3=C4H6 +3.000E+13 +0.000 +65000.0 ! *:_:* AA *:_:*
+C4H6-2=C4H6 +3.000E+13 +0.000 +65000.0 ! *:_:* AA *:_:*
+C4H6-2=CH2CCHCH3 +3.000E+13 +0.000 +67000.0 ! *:_:* AA *:_:*
+C4H6-2+H=CH2CCHCH3+H +2.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:*
+C4H6-2+H=C4H5-2+H2 +3.400E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+C4H6-2+H=CH3+C3H4-P +2.600E+05 +2.500 +1000.0 ! *:_:* AA *:_:*
+C4H6-2=H+C4H5-2 +5.000E+15 +0.000 +87300.0 ! *:_:* AA *:_:*
+C4H6-2+CH3=C4H5-2+CH4 +1.400E+14 +0.000 +18500.0 ! *:_:* AA *:_:*
+C2H3CHOCH2=C4H6O23 +2.000E+14 +0.000 +50600.0 ! *:_:* AA *:_:*
+C4H6O23=AC3H5CHO +1.950E+13 +0.000 +49400.0 ! *:_:* AA *:_:*
+C4H6O23=C2H4+CH2CO +5.750E+15 +0.000 +69300.0 ! *:_:* AA *:_:*
+C4H6O23=C2H2+C2H4O1-2 +1.000E+16 +0.000 +75800.0 ! *:_:* AA *:_:*
+C4H6O25=C4H4O+H2 +5.300E+12 +0.000 +48500.0 ! *:_:* AA *:_:*
+C4H4O=CO+C3H4-P +1.780E+15 +0.000 +77500.0 ! *:_:* AA *:_:*
+C4H4O=C2H2+CH2CO +5.010E+14 +0.000 +77500.0 ! *:_:* AA *:_:*
+AC3H5CHO=C3H6+CO +3.900E+14 +0.000 +69000.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=CXOCXCCJ+H2 +1.700E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=AC3H5CO+H2 +1.000E+05 +2.500 +2490.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=CH3+C2H3CHO +4.000E+21 -2.390 +11180.0 ! *:_:* AA *:_:*
+AC3H5CHO+H=C3H6+HCO +4.000E+21 -2.390 +11180.0 ! *:_:* AA *:_:*
+AC3H5CHO+CH3=CXOCXCCJ+CH4 +2.100E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+AC3H5CHO+CH3=AC3H5CO+CH4 +1.100E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+AC3H5CHO+C2H3=CXOCXCCJ+C2H4 +2.210E+00 +3.500 +4682.0 ! *:_:* AA *:_:*
+AC3H5CHO+C2H3=AC3H5CO+C2H4 +1.110E+00 +3.500 +4682.0 ! *:_:* AA *:_:*
+AC3H5CO=C3H5-S+CO +1.000E+14 +0.000 +30000.0 ! *:_:* AA *:_:*
+AC3H5CO+H=AC3H5CHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CXOCXCCJ=C3H5-A+CO +1.000E+14 +0.000 +25000.0 ! *:_:* AA *:_:*
+CXOCXCCJ+H=AC3H5CHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H4+H=NC4H5 +1.200E+51 -12.570 +12300.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 1.200E+051 -12.570 12300.0/
+ PLOG/ 0.0263 4.200E+050 -12.340 12500.0/
+ PLOG/ 0.1200 1.100E+050 -11.940 13400.0/
+ PLOG/ 1.0000 1.300E+051 -11.920 16500.0/
+ PLOG/ 10.0000 6.200E+045 -10.080 15800.0/
+C4H4+H=C4H5 +6.100E+53 -13.190 +14200.0 ! *:_:* AA *:_:*
+ PLOG/ 0.0132 6.100E+053 -13.190 14200.0/
+ PLOG/ 0.0263 9.600E+052 -12.850 14300.0/
+ PLOG/ 0.1200 2.100E+052 -12.440 15500.0/
+ PLOG/ 1.0000 4.900E+051 -11.920 17700.0/
+ PLOG/ 10.0000 1.500E+048 -10.580 18800.0/
+C4H4+H=NC4H3+H2 +6.650E+05 +2.530 +12240.0 ! *:_:* AA *:_:*
+C4H4+H=C4H3-I+H2 +3.330E+05 +2.530 +9240.0 ! *:_:* AA *:_:*
+C4H4+OH=NC4H3+H2O +3.100E+07 +2.000 +3430.0 ! *:_:* AA *:_:*
+C4H4+OH=C4H3-I+H2O +1.550E+07 +2.000 +430.0 ! *:_:* AA *:_:*
+C4H4+O=C3H3+HCO +6.000E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+C3H3+HCCO=C4H4+CO +2.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+CH=C4H3-I+H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+CH2=C4H4+H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C3H3+CH3(+M)=CH2CCHCH3(+M) +1.500E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW/ 2.600E+057 -11.940 9770.0/
+ TROE/ 1.750E-001 1.341E+003 6.000E+004 9.770E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ AR/ 0.70/
+C2H2+C2H(+M)=NC4H3(+M) +8.300E+10 +0.899 -363.0 ! *:_:* AA *:_:*
+ LOW/ 1.240E+031 -4.718 1871.0/
+ TROE/ 1.000E+000 1.000E+002 5.613E+003 1.339E+004/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/
+NC4H3=C4H3-I +4.100E+43 -9.490 +53000.0 ! *:_:* AA *:_:*
+NC4H3+H=C4H3-I+H +2.500E+20 -1.670 +10800.0 ! *:_:* AA *:_:*
+NC4H3+H=C2H2+H2CC +6.300E+25 -3.340 +10014.0 ! *:_:* AA *:_:*
+NC4H3+H=C4H4 +2.000E+47 -10.260 +13070.0 ! *:_:* AA *:_:*
+NC4H3+H=C4H2+H2 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NC4H3+OH=C4H2+H2O +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H2+C2H(+M)=C4H3-I(+M) +8.300E+10 +0.899 -363.0 ! *:_:* AA *:_:*
+ LOW/ 1.240E+031 -4.718 1871.0/
+ TROE/ 1.000E+000 1.000E+002 5.613E+003 1.339E+004/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 2.50/ C2H4/ 2.50/
+C4H3-I+H=C2H2+H2CC +2.800E+23 -2.550 +10780.0 ! *:_:* AA *:_:*
+C4H3-I+H=C4H4 +3.400E+43 -9.010 +12120.0 ! *:_:* AA *:_:*
+C4H3-I+H=C4H2+H2 +6.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H3-I+OH=C4H2+H2O +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H3-I+O2=HCCO+CH2CO +7.860E+16 -1.800 +0.0 ! *:_:* AA *:_:*
+C4H3-I+CH2=C3H4-A+C2H +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H2+C2H=C4H2+H +9.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H2+H=NC4H3 +1.100E+42 -8.720 +15300.0 ! *:_:* AA *:_:*
+C4H2+H=C4H3-I +1.100E+30 -4.920 +10800.0 ! *:_:* AA *:_:*
+C4H2+OH=H2C4O+H +6.600E+12 +0.000 -410.0 ! *:_:* AA *:_:*
+H2C4O+H=C2H2+HCCO +5.000E+13 +0.000 +3000.0 ! *:_:* AA *:_:*
+H2C4O+OH=CH2CO+HCCO +1.000E+07 +2.000 +2000.0 ! *:_:* AA *:_:*
+H2CC+C2H2(+M)=C4H4(+M) +3.500E+05 +2.055 -2400.0 ! *:_:* AA *:_:*
+ LOW/ 1.400E+060 -12.599 7417.0/
+ TROE/ 9.800E-001 5.600E+001 5.800E+002 4.164E+003/
+ H2/ 2.00/ H2O/ 6.00/ CH4/ 2.00/ CO/ 1.50/ CO2/ 2.00/ C2H6/ 3.00/ C2H2/ 3.00/ C2H4/ 3.00/
+H2CC+C2H4=C4H6 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-2+OH=>CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-2+H=>CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-2+O=>CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-2+HO2=>CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* AA *:_:*
+C4H8O1-2+CH3O2=>CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* AA *:_:*
+C4H8O1-2+CH3=>CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* AA *:_:*
+C4H8O1-3+OH=>CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-3+H=>CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-3+O=>CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-3+HO2=>CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* AA *:_:*
+C4H8O1-3+CH3O2=>CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* AA *:_:*
+C4H8O1-3+CH3=>CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* AA *:_:*
+C4H8O1-4+OH=>CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-4+H=>CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-4+O=>CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O1-4+HO2=>CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* AA *:_:*
+C4H8O1-4+CH3O2=>CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* AA *:_:*
+C4H8O1-4+CH3=>CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* AA *:_:*
+C4H8O2-3+OH=>CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O2-3+H=>CH2O+C3H5-A+H2 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O2-3+O=>CH2O+C3H5-A+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8O2-3+HO2=>CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* AA *:_:*
+C4H8O2-3+CH3O2=>CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* AA *:_:*
+C4H8O2-3+CH3=>CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* AA *:_:*
+PC4H9+O2=PC4H9O2 +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+SC4H9+O2=SC4H9O2 +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+SC4H9O2+CH2O=SC4H9O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+SC4H9O2+CH3CHO=SC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+SC4H9O2+HO2=SC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+IC3H7O2+PC4H9=IC3H7O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7O2+SC4H9=IC3H7O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+PC4H9=NC3H7O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+SC4H9=NC3H7O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+2SC4H9O2=>O2+2SC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+SC4H9O2+NC3H7O2=>SC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+SC4H9O2+IC3H7O2=>SC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+SC4H9O2+C2H5O2=>SC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+SC4H9O2+CH3O2=>SC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+SC4H9O2+CH3CO3=>SC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+H2+PC4H9O2=H+PC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:*
+H2+SC4H9O2=H+SC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:*
+C2H6+PC4H9O2=C2H5+PC4H9O2H +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+C2H6+SC4H9O2=C2H5+SC4H9O2H +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+PC4H9O2+C2H5CHO=PC4H9O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:*
+SC4H9O2+C2H5CHO=SC4H9O2H+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:*
+SC4H9O2+CH3=SC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+C2H5=SC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+IC3H7=SC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+NC3H7=SC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+PC4H9=SC4H9O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+SC4H9=2SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+C3H5-A=SC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+CH2O=PC4H9O2H+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+PC4H9O2+CH3CHO=PC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+PC4H9O2+HO2=PC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+C3H6+PC4H9O2=C3H5-A+PC4H9O2H +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+C3H6+SC4H9O2=C3H5-A+SC4H9O2H +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+C2H4+PC4H9O2=C2H3+PC4H9O2H +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+C2H4+SC4H9O2=C2H3+SC4H9O2H +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:*
+CH3OH+PC4H9O2=CH2OH+PC4H9O2H +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+CH3OH+SC4H9O2=CH2OH+SC4H9O2H +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+C2H3CHO+PC4H9O2=C2H3CO+PC4H9O2H +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+C2H3CHO+SC4H9O2=C2H3CO+SC4H9O2H +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+CH4+PC4H9O2=CH3+PC4H9O2H +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:*
+CH4+SC4H9O2=CH3+SC4H9O2H +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:*
+C4H71-3+PC4H9O2=C4H7O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+C4H71-3+SC4H9O2=C4H7O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+H2O2+PC4H9O2=HO2+PC4H9O2H +2.400E+12 +0.000 +10000.0 ! *:_:* AA *:_:*
+H2O2+SC4H9O2=HO2+SC4H9O2H +2.400E+12 +0.000 +10000.0 ! *:_:* AA *:_:*
+2PC4H9O2=>O2+2PC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+PC4H9O2+SC4H9O2=>PC4H9O+SC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+PC4H9O2+NC3H7O2=>PC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+PC4H9O2+IC3H7O2=>PC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+PC4H9O2+C2H5O2=>PC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+PC4H9O2+CH3O2=>PC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+PC4H9O2+CH3CO3=>PC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+PC4H9O2+CH3=PC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+C2H5=PC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+IC3H7=PC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+NC3H7=PC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+PC4H9=2PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+SC4H9=PC4H9O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+C3H5-A=PC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9+HO2=PC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9+HO2=SC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+CH3O2+PC4H9=CH3O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+CH3O2+SC4H9=CH3O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2H=PC4H9O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* AA *:_:*
+SC4H9O+OH=SC4H9O2H +1.000E+15 -0.800 +0.0 ! *:_:* AA *:_:*
+NC3H7+CH2O=PC4H9O +5.000E+10 +0.000 +3457.0 ! *:_:* AA *:_:*
+CH3+C2H5CHO=SC4H9O +5.000E+10 +0.000 +9043.0 ! *:_:* AA *:_:*
+C2H5+CH3CHO=SC4H9O +3.330E+10 +0.000 +6397.0 ! *:_:* AA *:_:*
+PC4H9O2=C4H8OOH1-2 +2.000E+11 +0.000 +31850.0 ! *:_:* AA *:_:*
+PC4H9O2=C4H8OOH1-3 +2.500E+10 +0.000 +20850.0 ! *:_:* AA *:_:*
+PC4H9O2=C4H8OOH1-4 +4.688E+09 +0.000 +22350.0 ! *:_:* AA *:_:*
+SC4H9O2=C4H8OOH2-1 +3.000E+11 +0.000 +34500.0 ! *:_:* AA *:_:*
+SC4H9O2=C4H8OOH2-3 +2.000E+11 +0.000 +31850.0 ! *:_:* AA *:_:*
+SC4H9O2=C4H8OOH2-4 +3.750E+10 +0.000 +24400.0 ! *:_:* AA *:_:*
+PC4H9O2=C4H8-1+HO2 +4.308E+36 -7.500 +39510.0 ! *:_:* AA *:_:*
+SC4H9O2=C4H8-1+HO2 +5.980E+42 -9.430 +41530.0 ! *:_:* AA *:_:*
+SC4H9O2=C4H8-2+HO2 +4.308E+36 -7.500 +39510.0 ! *:_:* AA *:_:*
+C4H8-1+HO2=C4H8OOH1-2 +1.000E+11 +0.000 +11000.0 ! *:_:* AA *:_:*
+C4H8-1+HO2=C4H8OOH2-1 +1.000E+11 +0.000 +11750.0 ! *:_:* AA *:_:*
+C4H8-2+HO2=C4H8OOH2-3 +1.000E+11 +0.000 +11750.0 ! *:_:* AA *:_:*
+C4H8OOH1-2=C4H8O1-2+OH +1.380E+12 +0.000 +15900.0 ! *:_:* AA *:_:*
+C4H8OOH1-3=C4H8O1-3+OH +2.040E+11 +0.000 +19500.0 ! *:_:* AA *:_:*
+C4H8OOH1-4=C4H8O1-4+OH +5.130E+10 +0.000 +14800.0 ! *:_:* AA *:_:*
+C4H8OOH2-1=C4H8O1-2+OH +3.980E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+C4H8OOH2-3=C4H8O2-3+OH +1.380E+12 +0.000 +15900.0 ! *:_:* AA *:_:*
+C4H8OOH2-4=C4H8O1-3+OH +4.470E+11 +0.000 +21900.0 ! *:_:* AA *:_:*
+C4H8OOH1-1=NC3H7CHO+OH +9.000E+14 +0.000 +1500.0 ! *:_:* AA *:_:*
+C4H8OOH2-2=C2H5COCH3+OH +9.000E+14 +0.000 +1500.0 ! *:_:* AA *:_:*
+C4H8OOH1-3=>OH+CH2O+C3H6 +6.635E+13 -0.160 +29900.0 ! *:_:* AA *:_:*
+C4H8OOH2-4=>OH+CH3CHO+C2H4 +1.945E+18 -1.630 +26790.0 ! *:_:* AA *:_:*
+C4H8OOH1-2+O2=C4H8OOH1-2O2 +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8OOH1-3+O2=C4H8OOH1-3O2 +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8OOH1-4+O2=C4H8OOH1-4O2 +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8OOH2-1+O2=C4H8OOH2-1O2 +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8OOH2-3+O2=C4H8OOH2-3O2 +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8OOH2-4+O2=C4H8OOH2-4O2 +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H8OOH1-2O2=NC4KET12+OH +2.000E+11 +0.000 +31500.0 ! *:_:* AA *:_:*
+C4H8OOH1-3O2=NC4KET13+OH +2.500E+10 +0.000 +21400.0 ! *:_:* AA *:_:*
+C4H8OOH1-4O2=NC4KET14+OH +3.125E+09 +0.000 +19350.0 ! *:_:* AA *:_:*
+C4H8OOH2-1O2=NC4KET21+OH +1.000E+11 +0.000 +28850.0 ! *:_:* AA *:_:*
+C4H8OOH2-3O2=NC4KET23+OH +1.000E+11 +0.000 +28850.0 ! *:_:* AA *:_:*
+C4H8OOH2-4O2=NC4KET24+OH +1.250E+10 +0.000 +17850.0 ! *:_:* AA *:_:*
+NC4KET12=>C2H5CHO+HCO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* AA *:_:*
+NC4KET13=>CH3CHO+CH2CHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* AA *:_:*
+NC4KET14=>CH2CH2CHO+CH2O+OH +1.500E+16 +0.000 +42000.0 ! *:_:* AA *:_:*
+NC4KET21=>CH2O+C2H5CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* AA *:_:*
+NC4KET23=>CH3CHO+CH3CO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* AA *:_:*
+NC4KET24=>CH2O+CH3COCH2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* AA *:_:*
+C2H5COCH3+OH=CH2CH2COCH3+H2O +7.550E+09 +0.970 +1586.0 ! *:_:* AA *:_:*
+C2H5COCH3+OH=CH3CHCOCH3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* AA *:_:*
+C2H5COCH3+OH=C2H5COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* AA *:_:*
+C2H5COCH3+HO2=CH2CH2COCH3+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:*
+C2H5COCH3+HO2=CH3CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* AA *:_:*
+C2H5COCH3+HO2=C2H5COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* AA *:_:*
+C2H5COCH3+O=CH2CH2COCH3+OH +2.250E+13 +0.000 +7700.0 ! *:_:* AA *:_:*
+C2H5COCH3+O=CH3CHCOCH3+OH +3.070E+13 +0.000 +3400.0 ! *:_:* AA *:_:*
+C2H5COCH3+O=C2H5COCH2+OH +5.000E+12 +0.000 +5962.0 ! *:_:* AA *:_:*
+C2H5COCH3+H=CH2CH2COCH3+H2 +9.160E+06 +2.000 +7700.0 ! *:_:* AA *:_:*
+C2H5COCH3+H=CH3CHCOCH3+H2 +4.460E+06 +2.000 +3200.0 ! *:_:* AA *:_:*
+C2H5COCH3+H=C2H5COCH2+H2 +9.300E+12 +0.000 +6357.0 ! *:_:* AA *:_:*
+C2H5COCH3+O2=CH2CH2COCH3+HO2 +2.050E+13 +0.000 +51310.0 ! *:_:* AA *:_:*
+C2H5COCH3+O2=CH3CHCOCH3+HO2 +1.550E+13 +0.000 +41970.0 ! *:_:* AA *:_:*
+C2H5COCH3+O2=C2H5COCH2+HO2 +2.050E+13 +0.000 +49150.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3=CH2CH2COCH3+CH4 +3.190E+01 +3.170 +7172.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3=CH3CHCOCH3+CH4 +1.740E+00 +3.460 +3680.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3=C2H5COCH2+CH4 +1.620E+11 +0.000 +9630.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3O=CH2CH2COCH3+CH3OH +2.170E+11 +0.000 +6460.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3O=CH3CHCOCH3+CH3OH +1.450E+11 +0.000 +2771.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3O=C2H5COCH2+CH3OH +2.170E+11 +0.000 +4660.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3O2=CH2CH2COCH3+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3O2=CH3CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* AA *:_:*
+C2H5COCH3+CH3O2=C2H5COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* AA *:_:*
+C2H5COCH3+C2H3=CH2CH2COCH3+C2H4 +5.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:*
+C2H5COCH3+C2H3=CH3CHCOCH3+C2H4 +3.000E+11 +0.000 +3400.0 ! *:_:* AA *:_:*
+C2H5COCH3+C2H3=C2H5COCH2+C2H4 +6.150E+10 +0.000 +4278.0 ! *:_:* AA *:_:*
+C2H5COCH3+C2H5=CH2CH2COCH3+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* AA *:_:*
+C2H5COCH3+C2H5=CH3CHCOCH3+C2H6 +3.000E+10 +0.000 +8600.0 ! *:_:* AA *:_:*
+C2H5COCH3+C2H5=C2H5COCH2+C2H6 +5.000E+10 +0.000 +11600.0 ! *:_:* AA *:_:*
+CH3CHCOCH3+O2=CH3CHOOCOCH3 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3CHOOCOCH3=CH2CHOOHCOCH3 +8.900E+12 +0.000 +29700.0 ! *:_:* AA *:_:*
+C2H3COCH3+HO2=CH2CHOOHCOCH3 +7.000E+10 +0.000 +7800.0 ! *:_:* AA *:_:*
+CH2CH2CHO=C2H4+HCO +3.127E+13 -0.520 +24590.0 ! *:_:* AA *:_:*
+CH2CH2COCH3=C2H4+CH3CO +1.000E+14 +0.000 +18000.0 ! *:_:* AA *:_:*
+C2H5COCH2=CH2CO+C2H5 +1.000E+14 +0.000 +35000.0 ! *:_:* AA *:_:*
+C2H3COCH3+H=CH3CHCOCH3 +5.000E+12 +0.000 +1200.0 ! *:_:* AA *:_:*
+CH3CHCO+CH3=CH3CHCOCH3 +1.230E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+NC3H7CHO+O2=NC3H7CO+HO2 +1.200E+05 +2.500 +37560.0 ! *:_:* AA *:_:*
+NC3H7CHO+OH=NC3H7CO+H2O +2.000E+06 +1.800 -1300.0 ! *:_:* AA *:_:*
+NC3H7CHO+H=NC3H7CO+H2 +4.140E+09 +1.120 +2320.0 ! *:_:* AA *:_:*
+NC3H7CHO+O=NC3H7CO+OH +5.940E+12 +0.000 +1868.0 ! *:_:* AA *:_:*
+NC3H7CHO+HO2=NC3H7CO+H2O2 +4.090E+04 +2.500 +10200.0 ! *:_:* AA *:_:*
+NC3H7CHO+CH3=NC3H7CO+CH4 +2.890E-03 +4.620 +3210.0 ! *:_:* AA *:_:*
+NC3H7CHO+CH3O=NC3H7CO+CH3OH +1.000E+12 +0.000 +3300.0 ! *:_:* AA *:_:*
+NC3H7CHO+CH3O2=NC3H7CO+CH3O2H +4.090E+04 +2.500 +10200.0 ! *:_:* AA *:_:*
+NC3H7CHO+OH=C3H6CHO-1+H2O +5.280E+09 +0.970 +1586.0 ! *:_:* AA *:_:*
+NC3H7CHO+OH=C3H6CHO-2+H2O +4.680E+07 +1.610 -35.0 ! *:_:* AA *:_:*
+NC3H7CHO+OH=C3H6CHO-3+H2O +5.520E+02 +3.120 -1176.0 ! *:_:* AA *:_:*
+NC3H7CHO+HO2=C3H6CHO-1+H2O2 +2.379E+04 +2.550 +16490.0 ! *:_:* AA *:_:*
+NC3H7CHO+HO2=C3H6CHO-2+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:*
+NC3H7CHO+HO2=C3H6CHO-3+H2O2 +3.440E+12 +0.050 +17880.0 ! *:_:* AA *:_:*
+NC3H7CHO+CH3O2=C3H6CHO-1+CH3O2H +2.379E+04 +2.550 +16490.0 ! *:_:* AA *:_:*
+NC3H7CHO+CH3O2=C3H6CHO-2+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:*
+NC3H7CHO+CH3O2=C3H6CHO-3+CH3O2H +3.440E+12 +0.050 +17880.0 ! *:_:* AA *:_:*
+NC3H7CO=NC3H7+CO +1.000E+11 +0.000 +9600.0 ! *:_:* AA *:_:*
+C3H6CHO-1=C2H4+CH2CHO +7.400E+11 +0.000 +21970.0 ! *:_:* AA *:_:*
+C2H5CHCO+H=C3H6CHO-3 +5.000E+12 +0.000 +1200.0 ! *:_:* AA *:_:*
+C2H3CHO+CH3=C3H6CHO-3 +1.230E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+SC3H5CHO+H=C3H6CHO-2 +5.000E+12 +0.000 +2900.0 ! *:_:* AA *:_:*
+C3H6+HCO=C3H6CHO-2 +1.000E+11 +0.000 +6000.0 ! *:_:* AA *:_:*
+C2H5CHCO+OH=NC3H7+CO2 +3.730E+12 +0.000 -1010.0 ! *:_:* AA *:_:*
+C2H5CHCO+H=NC3H7+CO +4.400E+12 +0.000 +1459.0 ! *:_:* AA *:_:*
+C2H5CHCO+O=C3H6+CO2 +3.200E+12 +0.000 -437.0 ! *:_:* AA *:_:*
+SC3H5CHO+OH=SC3H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* AA *:_:*
+C3H5-S+CO=SC3H5CO +5.000E+12 +0.000 +8000.0 ! *:_:* AA *:_:*
+SC3H5CHO+HO2=SC3H5CO+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+SC3H5CHO+CH3=SC3H5CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* AA *:_:*
+SC3H5CHO+O=SC3H5CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* AA *:_:*
+SC3H5CHO+O2=SC3H5CO+HO2 +4.000E+13 +0.000 +37600.0 ! *:_:* AA *:_:*
+SC3H5CHO+H=SC3H5CO+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* AA *:_:*
+C2H3COCH3+OH=CH3CHO+CH3CO +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C2H3COCH3+OH=>CH2CO+C2H3+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* AA *:_:*
+C2H3COCH3+HO2=>CH2CHO+CH3CO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* AA *:_:*
+C2H3COCH3+HO2=>CH2CO+C2H3+H2O2 +8.500E+12 +0.000 +20460.0 ! *:_:* AA *:_:*
+C2H3COCH3+CH3O2=>CH2CHO+CH3CO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* AA *:_:*
+C2H3COCH3+CH3O2=>CH2CO+C2H3+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* AA *:_:*
+IC4H10(+M)=CH3+IC3H7(+M) +2.520E+31 -4.102 +91495.0 ! *:_:* AA *:_:*
+ LOW/ 2.410E+019 0.000 52576.0/
+ TROE/ 3.662E-001 8.153E+002 6.079E+001 1.000E+020/
+IC4H10=TC4H9+H +2.510E+98 -23.810 +145300.0 ! *:_:* AA *:_:*
+IC4H10=IC4H9+H +9.850E+95 -23.110 +147600.0 ! *:_:* AA *:_:*
+IC4H10+H=TC4H9+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* AA *:_:*
+IC4H10+H=IC4H9+H2 +1.810E+06 +2.540 +6756.0 ! *:_:* AA *:_:*
+IC4H10+CH3=TC4H9+CH4 +9.040E-01 +3.460 +4598.0 ! *:_:* AA *:_:*
+IC4H10+CH3=IC4H9+CH4 +1.360E+00 +3.650 +7154.0 ! *:_:* AA *:_:*
+IC4H10+OH=TC4H9+H2O +2.925E+04 +2.531 -1659.0 ! *:_:* AA *:_:*
+IC4H10+OH=IC4H9+H2O +6.654E+04 +2.665 -168.9 ! *:_:* AA *:_:*
+IC4H10+C2H5=IC4H9+C2H6 +1.510E+12 +0.000 +10400.0 ! *:_:* AA *:_:*
+IC4H10+C2H5=TC4H9+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* AA *:_:*
+IC4H10+HO2=IC4H9+H2O2 +6.120E+01 +3.590 +17160.0 ! *:_:* AA *:_:*
+IC4H10+HO2=TC4H9+H2O2 +4.332E+02 +3.010 +12090.0 ! *:_:* AA *:_:*
+IC4H10+O=TC4H9+OH +1.968E+05 +2.402 +1150.0 ! *:_:* AA *:_:*
+IC4H10+O=IC4H9+OH +4.046E+07 +2.034 +5136.0 ! *:_:* AA *:_:*
+IC4H10+CH3O=IC4H9+CH3OH +4.800E+11 +0.000 +7000.0 ! *:_:* AA *:_:*
+IC4H10+CH3O=TC4H9+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* AA *:_:*
+IC4H10+O2=IC4H9+HO2 +9.000E+13 +0.000 +52290.0 ! *:_:* AA *:_:*
+IC4H10+O2=TC4H9+HO2 +1.000E+13 +0.000 +48200.0 ! *:_:* AA *:_:*
+IC4H10+CH3O2=IC4H9+CH3O2H +2.079E+00 +3.970 +18280.0 ! *:_:* AA *:_:*
+IC4H10+C2H5O2=IC4H9+C2H5O2H +2.550E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+CH3CO3=IC4H9+CH3CO3H +2.550E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+NC3H7O2=IC4H9+NC3H7O2H +2.550E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+IC3H7O2=IC4H9+IC3H7O2H +2.550E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+IC4H9O2=IC4H9+IC4H9O2H +2.550E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+TC4H9O2=IC4H9+TC4H9O2H +2.550E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+O2CHO=IC4H9+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* AA *:_:*
+IC4H10+O2CHO=TC4H9+HO2CHO +2.800E+12 +0.000 +16010.0 ! *:_:* AA *:_:*
+IC4H10+SC4H9O2=IC4H9+SC4H9O2H +2.250E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+SC4H9O2=TC4H9+SC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+PC4H9O2=IC4H9+PC4H9O2H +2.250E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H10+PC4H9O2=TC4H9+PC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+CH3O2=TC4H9+CH3O2H +1.366E+02 +3.120 +13190.0 ! *:_:* AA *:_:*
+IC4H10+C2H5O2=TC4H9+C2H5O2H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+CH3CO3=TC4H9+CH3CO3H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+NC3H7O2=TC4H9+NC3H7O2H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+IC3H7O2=TC4H9+IC3H7O2H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+IC4H9O2=TC4H9+IC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+TC4H9O2=TC4H9+TC4H9O2H +2.800E+12 +0.000 +16000.0 ! *:_:* AA *:_:*
+IC4H10+IC4H9=TC4H9+IC4H10 +2.500E+10 +0.000 +7900.0 ! *:_:* AA *:_:*
+IC4H9+HO2=IC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9+HO2=TC4H9O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+CH3O2+IC4H9=CH3O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+CH3O2+TC4H9=CH3O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9=TC4H9 +3.560E+10 +0.880 +34600.0 ! *:_:* AA *:_:*
+IC4H8+H=IC4H9 +6.250E+11 +0.510 +2620.0 ! *:_:* AA *:_:*
+C3H6+CH3=IC4H9 +1.890E+03 +2.670 +6850.0 ! *:_:* AA *:_:*
+H+IC4H8=TC4H9 +1.060E+12 +0.510 +1230.0 ! *:_:* AA *:_:*
+TC4H9+O2=IC4H8+HO2 +8.370E-01 +3.590 +11960.0 ! *:_:* AA *:_:*
+IC4H9+O2=IC4H8+HO2 +1.070E+00 +3.710 +9322.0 ! *:_:* AA *:_:*
+NC3H7O2+IC4H9=NC3H7O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+TC4H9=NC3H7O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+NC3H7O2+IC4H7=NC3H7O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+IC4H9=SC4H9O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+TC4H9=SC4H9O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+IC4H9=PC4H9O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+TC4H9=PC4H9O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+PC4H9O2+IC4H7=PC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+SC4H9O2+IC4H7=SC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9+O2=IC4H9O2 +2.260E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+TC4H9+O2=TC4H9O2 +1.410E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H9O2+C4H10=IC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:*
+TC4H9O2+C4H10=TC4H9O2H+SC4H9 +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:*
+IC4H9O2+C4H10=IC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+TC4H9O2+C4H10=TC4H9O2H+PC4H9 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC3H7O2+IC4H9=IC3H7O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7O2+TC4H9=IC3H7O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC3H7O2+IC4H7=IC3H7O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+C3H6=IC4H9O2H+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+TC4H9O2+C3H6=TC4H9O2H+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:*
+IC4H9O2+IC4H8=IC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+TC4H9O2+IC4H8=TC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+PC4H9O2+IC4H8=PC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+SC4H9O2+IC4H8=SC4H9O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+IC3H7O2+IC4H8=IC3H7O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+NC3H7O2+IC4H8=NC3H7O2H+IC4H7 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+IC4H9O2+C4H8-1=IC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+TC4H9O2+C4H8-1=TC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+IC4H9O2+C4H8-2=IC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+TC4H9O2+C4H8-2=TC4H9O2H+C4H71-3 +1.400E+12 +0.000 +14900.0 ! *:_:* AA *:_:*
+CC4H8O+OH=>CH2O+C3H5-A+H2O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CC4H8O+H=>CH2O+C3H5-A+H2 +3.510E+07 +2.000 +5000.0 ! *:_:* AA *:_:*
+CC4H8O+O=>CH2O+C3H5-A+OH +1.124E+14 +0.000 +5200.0 ! *:_:* AA *:_:*
+CC4H8O+HO2=>CH2O+C3H5-A+H2O2 +1.000E+13 +0.000 +15000.0 ! *:_:* AA *:_:*
+CC4H8O+CH3O2=>CH2O+C3H5-A+CH3O2H +1.000E+13 +0.000 +19000.0 ! *:_:* AA *:_:*
+CC4H8O+CH3=>CH2O+C3H5-A+CH4 +2.000E+11 +0.000 +10000.0 ! *:_:* AA *:_:*
+C2H4+TC4H9O2=C2H3+TC4H9O2H +8.590E+00 +3.754 +27132.0 ! *:_:* AA *:_:*
+TC4H9O2+CH4=TC4H9O2H+CH3 +1.130E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+H2+TC4H9O2=H+TC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:*
+TC4H9O2+C2H6=TC4H9O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+TC4H9O2+C3H8=TC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+TC4H9O2+C3H8=TC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+TC4H9O2+CH3OH=TC4H9O2H+CH2OH +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+TC4H9O2+C2H5OH=TC4H9O2H+PC2H4OH +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+TC4H9O2+C2H5OH=TC4H9O2H+SC2H4OH +4.200E+12 +0.000 +15000.0 ! *:_:* AA *:_:*
+IC4H9O2+CH3CHO=IC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+TC4H9O2+CH3CHO=TC4H9O2H+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H3CHO=IC4H9O2H+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+TC4H9O2+C2H3CHO=TC4H9O2H+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H5CHO=IC4H9O2H+C2H5CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+TC4H9O2+C2H5CHO=TC4H9O2H+C2H5CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:*
+IC4H9O2+HO2=IC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+TC4H9O2+HO2=TC4H9O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:*
+IC4H9O2+H2O2=IC4H9O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* AA *:_:*
+TC4H9O2+H2O2=TC4H9O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* AA *:_:*
+IC4H9O2+CH2O=IC4H9O2H+HCO +1.300E+11 +0.000 +9000.0 ! *:_:* AA *:_:*
+TC4H9O2+CH2O=TC4H9O2H+HCO +1.300E+11 +0.000 +9000.0 ! *:_:* AA *:_:*
+IC4H9O2+CH3O2=>IC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+CH3O2=>TC4H9O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H5O2=>IC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+C2H5O2=>TC4H9O+C2H5O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+CH3CO3=>IC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+CH3CO3=>TC4H9O+CH3CO2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+2IC4H9O2=>O2+2IC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+TC4H9O2=>IC4H9O+TC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+2TC4H9O2=>O2+2TC4H9O +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+PC4H9O2=>IC4H9O+PC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+PC4H9O2=>TC4H9O+PC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+SC4H9O2=>IC4H9O+SC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+SC4H9O2=>TC4H9O+SC4H9O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+NC3H7O2=>IC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+NC3H7O2=>TC4H9O+NC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+IC3H7O2=>IC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+IC3H7O2=>TC4H9O+IC3H7O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+HO2=>IC4H9O+OH+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+TC4H9O2+HO2=>TC4H9O+OH+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* AA *:_:*
+IC4H9O2+CH3=IC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H5=IC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+IC3H7=IC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+NC3H7=IC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+PC4H9=IC4H9O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+SC4H9=IC4H9O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+IC4H9=2IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+TC4H9=IC4H9O+TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+C3H5-A=IC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+C4H71-3=IC4H9O+C4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+IC4H7=IC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+CH3=TC4H9O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+C2H5=TC4H9O+C2H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+IC3H7=TC4H9O+IC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+NC3H7=TC4H9O+NC3H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+PC4H9=TC4H9O+PC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+SC4H9=TC4H9O+SC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+IC4H9=TC4H9O+IC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+TC4H9=2TC4H9O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+C3H5-A=TC4H9O+C3H5O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+C4H71-3=TC4H9O+C4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+TC4H9O2+IC4H7=TC4H9O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H4=IC4H9O2H+C2H3 +2.000E+11 +0.000 +6000.0 ! *:_:* AA *:_:*
+IC4H9O2+CH4=IC4H9O2H+CH3 +1.130E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+H2+IC4H9O2=H+IC4H9O2H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H6=IC4H9O2H+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H9O2+C3H8=IC4H9O2H+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+IC4H9O2+C3H8=IC4H9O2H+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:*
+IC4H9O2+CH3OH=IC4H9O2H+CH2OH +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H5OH=IC4H9O2H+PC2H4OH +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:*
+IC4H9O2+C2H5OH=IC4H9O2H+SC2H4OH +4.200E+12 +0.000 +15000.0 ! *:_:* AA *:_:*
+IC4H9O2H=IC4H9O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* AA *:_:*
+TC4H9O2H=TC4H9O+OH +5.950E+15 +0.000 +42540.0 ! *:_:* AA *:_:*
+IC4H9O+HO2=IC3H7CHO+H2O2 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H9O+OH=IC3H7CHO+H2O +1.810E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H9O+CH3=IC3H7CHO+CH4 +2.400E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H9O+O=IC3H7CHO+OH +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H9O+H=IC3H7CHO+H2 +1.990E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7CHO+H=IC4H9O +1.000E+12 +0.000 +5860.0 ! *:_:* AA *:_:*
+CH2O+IC3H7=IC4H9O +5.000E+10 +0.000 +2330.0 ! *:_:* AA *:_:*
+CH3COCH3+CH3=TC4H9O +1.500E+11 +0.000 +11900.0 ! *:_:* AA *:_:*
+IC4H9O+O2=IC3H7CHO+HO2 +1.930E+11 +0.000 +1660.0 ! *:_:* AA *:_:*
+TC4H9O+O2=IC4H8O+HO2 +8.100E+11 +0.000 +4700.0 ! *:_:* AA *:_:*
+IC4H8O=IC3H7CHO +4.180E+13 +0.000 +52720.0 ! *:_:* AA *:_:*
+IC4H8O+OH=IC3H6CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H8O+H=IC3H6CHO+H2 +1.250E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H8O+HO2=IC3H6CHO+H2O2 +2.500E+12 +0.000 +15000.0 ! *:_:* AA *:_:*
+IC4H8O+CH3O2=IC3H6CHO+CH3O2H +2.500E+12 +0.000 +19000.0 ! *:_:* AA *:_:*
+IC4H8O+CH3=IC3H6CHO+CH4 +5.000E+10 +0.000 +10000.0 ! *:_:* AA *:_:*
+IC4H8O+O=IC3H6CHO+OH +1.250E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+TC3H6CHO+H=IC3H7CHO +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7+HCO=IC3H7CHO +1.810E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H7CHO+HO2=IC3H7CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+IC3H7CHO+HO2=TC3H6CHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* AA *:_:*
+IC3H7CHO+CH3=IC3H7CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* AA *:_:*
+IC3H7CHO+O=IC3H7CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* AA *:_:*
+IC3H7CHO+O2=IC3H7CO+HO2 +4.000E+13 +0.000 +37600.0 ! *:_:* AA *:_:*
+IC3H7CHO+OH=IC3H7CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* AA *:_:*
+IC3H7CHO+OH=TC3H6CHO+H2O +1.684E+12 +0.000 -781.0 ! *:_:* AA *:_:*
+IC3H7CHO+H=IC3H7CO+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* AA *:_:*
+IC3H7CHO+OH=IC3H6CHO+H2O +3.120E+06 +2.000 -298.0 ! *:_:* AA *:_:*
+IC3H7CHO+HO2=IC3H6CHO+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* AA *:_:*
+IC3H7CHO+CH3O2=IC3H6CHO+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* AA *:_:*
+IC3H7+CO=IC3H7CO +1.500E+11 +0.000 +4810.0 ! *:_:* AA *:_:*
+C3H6+HCO=IC3H6CHO +1.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+C2H3CHO+CH3=IC3H6CHO +1.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+IC4H8+OH=IC4H8OH +9.930E+11 +0.000 -960.0 ! *:_:* AA *:_:*
+IC4H8OH+O2=IO2C4H8OH +1.200E+11 +0.000 -1100.0 ! *:_:* AA *:_:*
+IO2C4H8OH=>CH3COCH3+CH2O+OH +1.250E+10 +0.000 +18900.0 ! *:_:* AA *:_:*
+IC4H9O2=IC4H8O2H-I +7.500E+10 +0.000 +24400.0 ! *:_:* AA *:_:*
+TC4H9O2=TC4H8O2H-I +9.000E+11 +0.000 +34500.0 ! *:_:* AA *:_:*
+IC4H9O2=IC4H8O2H-T +1.000E+11 +0.000 +29200.0 ! *:_:* AA *:_:*
+IC4H9O2=IC4H8+HO2 +2.265E+35 -7.220 +39490.0 ! *:_:* AA *:_:*
+TC4H9O2=IC4H8+HO2 +7.612E+42 -9.410 +41490.0 ! *:_:* AA *:_:*
+IC4H8O2H-I+O2=IC4H8OOH-IO2 +2.260E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+TC4H8O2H-I+O2=TC4H8OOH-IO2 +2.260E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H8O2H-T+O2=IC4H8OOH-TO2 +1.410E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H8OOH-IO2=IC4KETII+OH +5.000E+10 +0.000 +21400.0 ! *:_:* AA *:_:*
+IC4H8OOH-TO2=IC4KETIT+OH +4.000E+11 +0.000 +31500.0 ! *:_:* AA *:_:*
+TC4H8OOH-IO2=TIC4H7Q2-I +7.500E+10 +0.000 +24400.0 ! *:_:* AA *:_:*
+IC4H7OOH+HO2=TIC4H7Q2-I +1.000E+11 +0.000 +10600.0 ! *:_:* AA *:_:*
+IC4H8OOH-IO2=IIC4H7Q2-I +3.750E+10 +0.000 +24400.0 ! *:_:* AA *:_:*
+IC4H8OOH-IO2=IIC4H7Q2-T +1.000E+11 +0.000 +29200.0 ! *:_:* AA *:_:*
+IC4H8OOH-TO2=TIC4H7Q2-I +6.000E+11 +0.000 +34500.0 ! *:_:* AA *:_:*
+AC3H5OOH+CH2O2H=IIC4H7Q2-I +8.500E+10 +0.000 +10600.0 ! *:_:* AA *:_:*
+IC4H7OOH+HO2=IIC4H7Q2-T +1.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+CH2O2H=CH2O+OH +9.000E+14 +0.000 +1500.0 ! *:_:* AA *:_:*
+IC4KETII=>CH2O+C2H5CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* AA *:_:*
+IC4KETIT=>CH3COCH3+HCO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* AA *:_:*
+IC4H8+HO2=TC4H8O2H-I +3.970E+11 +0.000 +12620.0 ! *:_:* AA *:_:*
+IC4H8+HO2=IC4H8O2H-T +3.970E+11 +0.000 +12620.0 ! *:_:* AA *:_:*
+IC4H8O2H-I=CC4H8O+OH +4.470E+11 +0.000 +21900.0 ! *:_:* AA *:_:*
+IC4H8O2H-T=IC4H8O+OH +3.090E+12 +0.000 +13400.0 ! *:_:* AA *:_:*
+TC4H8O2H-I=IC4H8O+OH +3.980E+12 +0.000 +17000.0 ! *:_:* AA *:_:*
+IC4H8O2H-I=>OH+CH2O+C3H6 +8.451E+15 -0.680 +29170.0 ! *:_:* AA *:_:*
+IC4H8=C3H5-T+CH3 +1.920E+66 -14.220 +128100.0 ! *:_:* AA *:_:*
+IC4H8=IC4H7+H +3.070E+55 -11.490 +114300.0 ! *:_:* AA *:_:*
+IC4H8+H=C3H6+CH3 +5.680E+33 -5.720 +20000.0 ! *:_:* AA *:_:*
+IC4H8+H=IC4H7+H2 +3.400E+05 +2.500 +2492.0 ! *:_:* AA *:_:*
+IC4H8+O=>CH2CO+2CH3 +3.330E+07 +1.760 +76.0 ! *:_:* AA *:_:*
+IC4H8+O=>IC3H6CO+2H +1.660E+07 +1.760 +76.0 ! *:_:* AA *:_:*
+IC4H8+O=IC4H7+OH +1.206E+11 +0.700 +7633.0 ! *:_:* AA *:_:*
+IC4H8+CH3=IC4H7+CH4 +4.420E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+IC4H8+HO2=IC4H7+H2O2 +1.928E+04 +2.600 +13910.0 ! *:_:* AA *:_:*
+IC4H8+O2CHO=IC4H7+HO2CHO +1.928E+04 +2.600 +13910.0 ! *:_:* AA *:_:*
+IC4H8+O2=IC4H7+HO2 +6.000E+12 +0.000 +39900.0 ! *:_:* AA *:_:*
+IC4H8+C3H5-A=IC4H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:*
+IC4H8+C3H5-S=IC4H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:*
+IC4H8+C3H5-T=IC4H7+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:*
+IC4H8+OH=IC4H7+H2O +5.200E+06 +2.000 -298.0 ! *:_:* AA *:_:*
+IC4H8+O=IC3H7+HCO +1.580E+07 +1.760 -1216.0 ! *:_:* AA *:_:*
+IC4H8+CH3O2=IC4H7+CH3O2H +1.928E+04 +2.600 +13910.0 ! *:_:* AA *:_:*
+IC4H8+HO2=IC4H8O+OH +1.290E+12 +0.000 +13340.0 ! *:_:* AA *:_:*
+IC4H7+O2=IC3H5CHO+OH +2.470E+13 -0.450 +23020.0 ! *:_:* AA *:_:*
+IC4H7+O2=CH3COCH2+CH2O +7.140E+15 -1.210 +21050.0 ! *:_:* AA *:_:*
+IC4H7+O2=>C3H4-A+CH2O+OH +7.290E+29 -5.710 +21450.0 ! *:_:* AA *:_:*
+IC4H7+O=IC3H5CHO+H +6.030E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7=C3H4-A+CH3 +1.230E+47 -9.740 +74260.0 ! *:_:* AA *:_:*
+CH3O2+IC4H7=CH3O+IC4H7O +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+IC4H7+HO2=IC4H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+C3H5-T+CH2O=IC4H7O +1.000E+11 +0.000 +12600.0 ! *:_:* AA *:_:*
+IC4H7O=IC4H6OH +1.391E+11 +0.000 +15600.0 ! *:_:* AA *:_:*
+IC4H7O=IC3H5CHO+H +5.000E+13 +0.000 +29100.0 ! *:_:* AA *:_:*
+IC4H6OH+H2=IC4H7OH+H +2.160E+04 +2.380 +18990.0 ! *:_:* AA *:_:*
+IC4H7OH+O2=IC4H6OH+HO2 +6.000E+13 +0.000 +39900.0 ! *:_:* AA *:_:*
+IC4H6OH+CH2O=IC4H7OH+HCO +6.300E+08 +1.900 +18190.0 ! *:_:* AA *:_:*
+IC4H6OH+IC4H8=IC4H7OH+IC4H7 +4.700E+02 +3.300 +19840.0 ! *:_:* AA *:_:*
+IC4H6OH+H=IC4H7OH +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H6OH+H2O2=IC4H7OH+HO2 +7.830E+05 +2.050 +13580.0 ! *:_:* AA *:_:*
+C3H4-A+CH2OH=IC4H6OH +1.000E+11 +0.000 +9200.0 ! *:_:* AA *:_:*
+IC4H7O+O2=IC3H5CHO+HO2 +3.000E+10 +0.000 +1649.0 ! *:_:* AA *:_:*
+IC4H7O+HO2=IC3H5CHO+H2O2 +3.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7O+CH3=IC3H5CHO+CH4 +2.400E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7O+O=IC3H5CHO+OH +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7O+OH=IC3H5CHO+H2O +1.810E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7O+H=IC3H5CHO+H2 +1.990E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H5CHO+OH=IC3H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* AA *:_:*
+IC3H5CHO+HO2=IC3H5CO+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+IC3H5CHO+CH3=IC3H5CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* AA *:_:*
+IC3H5CHO+O=IC3H5CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* AA *:_:*
+IC3H5CHO+O2=IC3H5CO+HO2 +2.000E+13 +0.000 +40700.0 ! *:_:* AA *:_:*
+IC3H5CHO+H=IC3H5CO+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* AA *:_:*
+IC3H5CO=C3H5-T+CO +1.278E+20 -1.890 +34460.0 ! *:_:* AA *:_:*
+TC3H6OCHO+OH=TC3H6CHO+HO2 +2.018E+17 -1.200 +21010.0 ! *:_:* AA *:_:*
+TC3H6OCHO=CH3COCH3+HCO +3.980E+13 +0.000 +9700.0 ! *:_:* AA *:_:*
+IC3H5CHO+H=TC3H6CHO +1.300E+13 +0.000 +1200.0 ! *:_:* AA *:_:*
+IC3H6CO+H=TC3H6CHO +1.300E+13 +0.000 +4800.0 ! *:_:* AA *:_:*
+TC3H6CHO+H2=IC3H7CHO+H +2.160E+05 +2.380 +18990.0 ! *:_:* AA *:_:*
+IC4H7O+OH=IC4H7OOH +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7O+H=IC4H7OH +4.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7OH+H=IC4H8OH +1.000E+13 +0.000 +1200.0 ! *:_:* AA *:_:*
+IC4H7O+H2=IC4H7OH+H +9.050E+06 +2.000 +17830.0 ! *:_:* AA *:_:*
+IC4H7+OH=IC4H7OH +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H7OH+HCO=IC4H7O+CH2O +3.020E+11 +0.000 +18160.0 ! *:_:* AA *:_:*
+TC3H6CHO+CH2O=IC3H7CHO+HCO +2.520E+08 +1.900 +18190.0 ! *:_:* AA *:_:*
+TC3H6CHO+IC4H8=IC3H7CHO+IC4H7 +4.700E+02 +3.300 +19840.0 ! *:_:* AA *:_:*
+IC3H6CO+OH=IC3H7+CO2 +1.730E+12 +0.000 -1010.0 ! *:_:* AA *:_:*
+TC3H6CHO+OH=TC3H6OHCHO +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+TC3H6OH+HCO=TC3H6OHCHO +1.810E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH3COCH3+H=TC3H6OH +8.000E+12 +0.000 +9500.0 ! *:_:* AA *:_:*
+IC3H5OH+H=TC3H6OH +6.250E+11 +0.510 +4020.0 ! *:_:* AA *:_:*
+C3H5-T+OH=IC3H5OH +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+TC3H6CHO+O2=TC3H6O2CHO +1.990E+17 -2.100 +0.0 ! *:_:* AA *:_:*
+TC3H6O2CHO=IC3H5O2HCHO +6.000E+11 +0.000 +29880.0 ! *:_:* AA *:_:*
+TC3H6O2CHO=TC3H6O2HCO +1.000E+11 +0.000 +25750.0 ! *:_:* AA *:_:*
+IC3H5CHO+HO2=IC3H5O2HCHO +2.230E+11 +0.000 +10600.0 ! *:_:* AA *:_:*
+TC3H6O2HCO=>CH3COCH3+CO+OH +4.244E+18 -1.430 +4800.0 ! *:_:* AA *:_:*
+TC3H6OH+O2=CH3COCH3+HO2 +2.230E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC3H6CO+OH=TC3H6OH+CO +2.000E+12 +0.000 -1010.0 ! *:_:* AA *:_:*
+TC3H6CHO+HO2=IC3H7CHO+O2 +3.675E+12 +0.000 +1310.0 ! *:_:* AA *:_:*
+TC3H6CHO+CH3=IC3H5CHO+CH4 +3.010E+12 -0.320 -131.0 ! *:_:* AA *:_:*
+TC4H8CHO=IC3H5CHO+CH3 +1.000E+13 +0.000 +26290.0 ! *:_:* AA *:_:*
+TC4H8CHO=IC4H8+HCO +8.520E+12 +0.000 +20090.0 ! *:_:* AA *:_:*
+TC4H8CHO+O2=O2C4H8CHO +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+O2C4H8CHO=O2HC4H8CO +2.160E+11 +0.000 +15360.0 ! *:_:* AA *:_:*
+IC4H8O2H-T+CO=O2HC4H8CO +1.500E+11 +0.000 +4809.0 ! *:_:* AA *:_:*
+IC4H7O+IC4H8=IC4H7OH+IC4H7 +2.700E+11 +0.000 +4000.0 ! *:_:* AA *:_:*
+IC4H6OH+HO2=>CH2CCH2OH+CH2O+OH +1.446E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+IC4H8+CH2CCH2OH=IC4H7+C3H5OH +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:*
+CH2CCH2OH+H2O2=C3H5OH+HO2 +3.010E+09 +0.000 +2583.0 ! *:_:* AA *:_:*
+C3H5OH+OH=CH2CCH2OH+H2O +5.060E+12 +0.000 +5960.0 ! *:_:* AA *:_:*
+C3H5OH+H=CH2CCH2OH+H2 +3.900E+05 +2.500 +5821.0 ! *:_:* AA *:_:*
+C3H5OH+O2=CH2CCH2OH+HO2 +4.000E+13 +0.000 +60690.0 ! *:_:* AA *:_:*
+C3H5OH+CH3=CH2CCH2OH+CH4 +2.400E+11 +0.000 +8030.0 ! *:_:* AA *:_:*
+CH2CCH2OH+CH3=IC4H7OH +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2CCH2OH+H=C3H5OH +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2CCH2OH+O2=>CH2OH+CO+CH2O +4.335E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CH2CCH2OH=C2H2+CH2OH +2.163E+40 -8.310 +45110.0 ! *:_:* AA *:_:*
+C3H4-A+OH=CH2CCH2OH +8.500E+12 +0.000 +2000.0 ! *:_:* AA *:_:*
+C3H5-A+C2H3=>CY13PD+2H +1.600E+35 -14.000 +61137.7 ! *:_:* AA *:_:*
+C3H5-A+C3H3=>C6H6+2H +5.600E+20 -2.540 +1696.9 ! *:_:* AA *:_:*
+C3H4-A+C3H3=C6H6+H +1.400E+12 +0.000 +9990.4 ! *:_:* AA *:_:*
+C4H6+C2H3=>C6H6+H2+H +5.620E+11 +0.000 +3240.0 ! *:_:* AA *:_:*
+NC4H5+C2H3=C6H6+H2 +1.840E-13 +7.070 -3611.0 ! *:_:* AA *:_:*
+C4H5-2+C2H2=C6H6+H +5.000E+14 +0.000 +25000.0 ! *:_:* AA *:_:*
+C4H5-2+C2H4=CY13PD+CH3 +5.000E+14 +0.000 +25000.0 ! *:_:* AA *:_:*
+C6H2+H=C6H3 +1.100E+30 -4.920 +10800.0 ! *:_:* AA *:_:*
+C6H3+H=C4H2+C2H2 +2.800E+23 -2.550 +10780.0 ! *:_:* AA *:_:*
+C6H3+H=L-C6H4 +3.400E+43 -9.010 +12120.0 ! *:_:* AA *:_:*
+C6H3+H=C6H2+H2 +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H3+OH=C6H2+H2O +4.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+L-C6H4+H=C6H5 +1.700E+78 -19.720 +31400.0 ! *:_:* AA *:_:*
+L-C6H4+H=C-C6H4+H +1.400E+54 -11.700 +34500.0 ! *:_:* AA *:_:*
+L-C6H4+H=C6H3+H2 +1.330E+06 +2.530 +9240.0 ! *:_:* AA *:_:*
+L-C6H4+OH=C6H3+H2O +3.100E+06 +2.000 +430.0 ! *:_:* AA *:_:*
+C-C6H4+H=C6H5 +2.400E+60 -13.660 +29500.0 ! *:_:* AA *:_:*
+NC4H3+C2H2=L-C6H4+H +2.500E+14 -0.560 +10600.0 ! *:_:* AA *:_:*
+NC4H3+C2H2=C6H5 +9.600E+70 -17.770 +31300.0 ! *:_:* AA *:_:*
+NC4H3+C2H2=C-C6H4+H +6.900E+46 -10.010 +30100.0 ! *:_:* AA *:_:*
+C4H3-I+CH3=CY13PD +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H2+C2H=C6H2+H +9.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C4H2+C2H=C6H3 +4.500E+37 -7.680 +7100.0 ! *:_:* AA *:_:*
+C4H4+C2H=L-C6H4+H +1.200E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH3(+M)=C6H5CH2J+H(+M) +2.780E+15 +0.170 +91168.0 ! *:_:* AA *:_:*
+ LOW/1.00E+98 -22.855 9.9882E+04/
+ TROE/6.547194E-02 1.511253E+01 9.999996E+09 7.596123E+07/
+C6H5CH3(+M)=C6H5+CH3(+M) +1.950E+27 -3.160 +107447.0 ! *:_:* AA *:_:*
+ LOW/1.00E+98 -22.966 1.2208E+05/
+ TROE/7.054562E-01 9.999989E+09 4.599180E+02 8.213938E+09/
+C6H5CH3+O2=C6H5CH2J+HO2 +2.180E+07 +2.500 +46045.0 ! *:_:* AA *:_:*
+C6H5CH3+HO2=C6H5CH2J+H2O2 +3.970E+11 +0.000 +14069.4 ! *:_:* AA *:_:*
+C6H5CH3+H=C6H5CH2J+H2 +6.470E+00 +3.980 +3384.0 ! *:_:* AA *:_:*
+C6H5CH3+OH=C6H5CH2J+H2O +1.770E+05 +2.390 -602.0 ! *:_:* AA *:_:*
+C6H5CH3+O=C6H5CH2J+OH +6.300E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH3+CH3=C6H5CH2J+CH4 +2.939E+11 +0.000 +9245.0 ! *:_:* AA *:_:*
+C6H5CH3+HCO=C6H5CH2J+CH2O +3.770E+13 +0.000 +23787.4 ! *:_:* AA *:_:*
+C6H5CH3+C2H3=C6H5CH2J+C2H4 +4.000E+12 +0.000 +8000.0 ! *:_:* AA *:_:*
+C6H5CH3+C3H5-A=C6H5CH2J+C3H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+C3H3=C6H5CH2J+C3H4-P +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+C4H5=C6H5CH2J+C4H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+NC4H5=C6H5CH2J+C4H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+CY13PD5J=C6H5CH2J+CY13PD +1.600E+12 +0.000 +11100.0 ! *:_:* AA *:_:*
+C6H5CH3+C6H5=C6H5CH2J+C6H6 +7.900E+13 +0.000 +12000.0 ! *:_:* AA *:_:*
+C6H5CH3+C6H5OJ=C6H5CH2J+C6H5OH +5.430E+12 +0.000 +20923.0 ! *:_:* AA *:_:* TST,SAKAI
+C6H5CH3+C6H4CH3=C6H5CH2J+C6H5CH3 +7.900E+13 +0.000 +12000.0 ! *:_:* AA *:_:*
+C6H5CH3+OC6H4CH3=C6H5CH2J+HOC6H4CH3 +1.600E+11 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+C6H5CH2OOJ=C6H5CH2J+C6H5CH2OOH +4.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+C6H5CH3+C6H5CH2OJ=C6H5CH2J+C6H5CH2OH +1.600E+11 +0.000 +11100.0 ! *:_:* AA *:_:*
+C6H5CH3+HOC6H4CH2=C6H5CH2J+HOC6H4CH3 +1.600E+11 +0.000 +15100.0 ! *:_:* AA *:_:*
+C6H5CH3+H=C6H4CH3+H2 +5.000E+08 +1.000 +16800.0 ! *:_:* AA *:_:*
+C6H5CH3+O=C6H4CH3+OH +1.660E+13 +0.000 +14700.0 ! *:_:* AA *:_:*
+C6H5CH3+OH=C6H4CH3+H2O +1.330E+08 +1.420 +1450.0 ! *:_:* AA *:_:*
+C6H5CH3+HO2=C6H4CH3+H2O2 +3.330E+11 +0.000 +28900.0 ! *:_:* AA *:_:*
+C6H5CH3+CH3=C6H4CH3+CH4 +1.600E+12 +0.000 +15000.0 ! *:_:* AA *:_:*
+C6H5CH3+O=OC6H4CH3+H +1.700E+13 +0.000 +3600.0 ! *:_:* AA *:_:*
+C6H5CH3+OH=HOC6H4CH3+H +1.100E+02 +3.250 +5590.0 ! *:_:* AA *:_:*
+C6H5CH3+H=C6H6+CH3 +9.494E+05 +2.000 +944.0 ! *:_:* AA *:_:*
+C6H5CH2J=>CY13PD5J+C2H2 +6.000E+13 +0.000 +70000.0 ! *:_:* AA *:_:*
+C6H5CH2J=C3H3+C4H4 +2.000E+14 +0.000 +83600.0 ! *:_:* AA *:_:*
+C6H5CH2J+O=C6H5CHO+H +2.110E+14 +0.000 +0.0 ! *:_:* AA *:_:* SAKAI
+C6H5CH2J+O=C6H5+CH2O +1.190E+14 +0.000 +0.0 ! *:_:* AA *:_:* SAKAI
+C6H5CH2J+OH=C6H5CH2OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH2J+HO2=C6H5CH2OOH +6.750E+44 -17.475 -45232.0 ! *:_:* AA *:_:*
+C6H5CH2J+HO2=C6H5CH2OJ+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH2J+CH3=C6H5C2H5 +1.190E+13 +0.000 +221.0 ! *:_:* AA *:_:*
+C6H4CH3+O2=OC6H4CH3+O +2.600E+13 +0.000 +6100.0 ! *:_:* AA *:_:*
+C6H4CH3+O2=O-C6H4O2+CH3 +3.000E+13 +0.000 +9000.0 ! *:_:* AA *:_:*
+C6H4CH3+H=C6H5CH3 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H4CH3+H=C6H5CH2J+H +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H4CH3+O=OC6H4CH3 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H4CH3+OH=HOC6H4CH3 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H4CH3+HO2=OC6H4CH3+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH2OOJ(+M)=C6H5CH2J+O2(+M) +4.170E+36 -7.068 +32235.0 ! *:_:* AA *:_:*
+ LOW / 1.79700E-06 5.40000E+00 -7.63000E+03/
+ TROE /6.114198E-01 9.999806E+09 1.037924E+00 1.786062E+09/
+C6H5CH2OOJ+H=C6H5CH2OOH +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH2OOJ+HO2=C6H5CH2OOH+O2 +2.000E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+2C6H5CH2OOJ=C6H5CH2OH+C6H5CHO+O2 +1.400E+10 +0.000 -720.0 ! *:_:* AA *:_:*
+2C6H5CH2OOJ=2C6H5CH2OJ+O2 +6.300E+10 +0.000 -720.0 ! *:_:* AA *:_:*
+C6H5CH2OJ+OH=C6H5CH2OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH2OJ=C6H5CHO+H +1.990E+13 +0.000 +18728.0 ! *:_:* AA *:_:* SAKAI,HPLIMIT
+C6H5CH2OJ=C6H5+CH2O +8.550E+13 +0.000 +26017.0 ! *:_:* AA *:_:* SAKAI,HPLIMIT
+C6H5CH2OJ+O2=C6H5CHO+HO2 +6.000E+10 +0.000 +1600.0 ! *:_:* AA *:_:*
+OC6H4CH3=C6H6+CO+H +7.600E+11 +0.000 +43800.0 ! *:_:* AA *:_:*
+OC6H4CH3+H=HOC6H4CH3 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+2C6H5CH2J=C14H14 +5.000E+12 +0.000 +454.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14=C14H13+H +1.000E+16 +0.000 +83660.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+H=C14H13+H2 +3.160E+12 +0.000 +0.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+O2=C14H13+HO2 +2.800E+12 +0.000 +35000.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+O=C14H13+OH +8.400E+11 +0.000 -2000.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+OH=C14H13+H2O +7.000E+09 +1.000 -1100.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+HO2=C14H13+H2O2 +5.400E+11 +0.000 +12000.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+CH3=C14H13+CH4 +2.200E+12 +0.000 +9100.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+C3H5-A=C14H13+C3H6 +2.200E+12 +0.000 +9100.0 ! *:_:* AA *:_:*
+C14H14+C6H5CH2J=C14H13+C6H5CH3 +2.200E+11 +0.000 +9100.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H14+C6H5=C14H13+C6H6 +1.060E+14 +0.000 +9949.0 ! *:_:* AA *:_:* BOUNACEUR2005,TABLEV ESTIMATED AA
+C14H14+C6H5OJ=C14H13+C6H5OH +5.430E+12 +0.000 +20923.0 ! *:_:* AA *:_:* EQUAL TO C6H5CH3+C6H5O
+C14H13=STYLBEN+H +7.900E+15 +0.000 +51864.0 ! *:_:* AA *:_:* OEHLSCHLAEGER2005
+C14H13+O2=C6H5CHO+C6H5CH2OJ +3.940E+50 -11.500 +42250.0 ! *:_:* AA *:_:* C2H5+O2,A-FACTOR*(4/5)
+C14H13+HO2=C6H5CH2J+C6H5CHO+OH +1.920E+13 +0.000 +0.0 ! *:_:* AA *:_:* EQUAL TO C2H5+HO2
+STYLBEN+O2=HO2+PHCCHPH +4.000E+13 +0.000 +58200.0 ! *:_:* AA *:_:* EQUAL TO C2H4+O2=C2H3+HO2
+STYLBEN+H=PHCCHPH+H2 +8.420E-03 +4.620 +2583.0 ! *:_:* AA *:_:* EQUAL TO C2H4+H=C2H3+H2
+STYLBEN+OH=PHCCHPH+H2O +2.020E+13 +0.000 +5955.0 ! *:_:* AA *:_:* EQUAL TO C2H4+OH=C2H3+H2O
+STYLBEN+O=C6H5CJO+C6H5CH2J +7.950E+03 +1.660 +657.4 ! *:_:* AA *:_:*
+PHCCHPH=>2C6H5+C2H +1.074E+25 -2.217 +88474.6 ! *:_:* AA *:_:*
+PHCCHPH+O2=C6H5CJO+C6H5CHO +1.700E+29 -5.310 +6500.0 ! *:_:* AA *:_:* EQUAL TO C2H3+O2=CH2O+HCO
+STYLBEN+O=PHCCHPH+OH +4.200E+11 +0.000 -1940.0 ! *:_:* AA *:_:*
+STYLBEN+HO2=PHCCHPH+H2O2 +2.700E+11 +0.000 +11640.0 ! *:_:* AA *:_:*
+STYLBEN+CH3=PHCCHPH+CH4 +1.100E+12 +0.000 +8827.0 ! *:_:* AA *:_:*
+STYLBEN+C3H5-A=PHCCHPH+C3H6 +1.100E+12 +0.000 +8827.0 ! *:_:* AA *:_:*
+STYLBEN+C6H5OJ=PHCCHPH+C6H5OH +5.430E+12 +0.000 +20923.0 ! *:_:* AA *:_:*
+STYLBEN+C6H5CH2J=PHCCHPH+C6H5CH3 +1.100E+11 +0.000 +8827.0 ! *:_:* AA *:_:*
+C14H13+O2=C14H13OO +8.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C14H13+HO2=C14H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* AA *:_:*
+C6H5CH2J+C6H5CHO=C14H13O +1.000E+11 +0.000 +12900.0 ! *:_:* AA *:_:* C7H15O-4=NC3H7CHO+NC3H7
+C14H13OOH+C6H5CH2J=C14H13OO+C6H5CH3 +1.440E+10 +0.000 +17700.0 ! *:_:* AA *:_:*
+C14H13OO+HO2=C14H13OOH+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* AA *:_:* C7H15O2-1+HO2=C7H15O2H-1+O2
+C14H13OO+H2O2=C14H13OOH+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* AA *:_:* H2O2+C7H15O2-1=HO2+C7H15O2H-1
+C14H13O+OH=C14H13OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C14H13OO=C14H12OOH +2.590E+12 +0.000 +21374.0 ! *:_:* AA *:_:*
+STYLBEN+HO2=C14H12OOH +1.000E+11 +0.000 +10530.0 ! *:_:* AA *:_:*
+C14H12OOH+O2=C14H12O2H-1O2 +8.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C14H12O2H-1O2=C14H11O-1O2H+OH +1.295E+12 +0.000 +18374.0 ! *:_:* AA *:_:*
+C14H11O-1O2H=C6H5CHO+C6H5CJO+OH +1.000E+16 +0.000 +43000.0 ! *:_:* AA *:_:*
+C6H5CHO=C6H5CJO+H +4.000E+15 +0.000 +83700.0 ! *:_:* AA *:_:*
+C6H5CHO+O2=C6H5CJO+HO2 +7.000E+11 +0.000 +39500.0 ! *:_:* AA *:_:*
+C6H5CHO+H=C6H6+HCO +5.800E+13 +0.000 +8100.0 ! *:_:* AA *:_:*
+C6H5CHO+H=C6H5CJO+H2 +4.000E+13 +0.000 +3200.0 ! *:_:* AA *:_:*
+C6H5CHO+O=C6H5CJO+OH +6.000E+12 +0.000 +1800.0 ! *:_:* AA *:_:*
+C6H5CHO+OH=C6H5CJO+H2O +7.800E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CHO+HO2=C6H5CJO+H2O2 +3.000E+12 +0.000 +11000.0 ! *:_:* AA *:_:*
+C6H5CHO+CH3=C6H5CJO+CH4 +2.000E-06 +5.600 +1500.0 ! *:_:* AA *:_:*
+C6H5CHO+C2H5=C6H5CJO+C2H6 +1.300E+12 +0.000 +7500.0 ! *:_:* AA *:_:*
+C6H5CHO+C3H5-A=C6H5CJO+C3H6 +1.300E+12 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+C4H5=C6H5CJO+C4H6 +1.300E+12 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+NC4H5=C6H5CJO+C4H6 +1.300E+12 +0.000 +7500.0 ! *:_:* AA *:_:*
+C6H5CHO+CY13PD5J=C6H5CJO+CY13PD +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+C6H5=C6H5CJO+C6H6 +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+C6H5CH2J=C6H5CJO+C6H5CH3 +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+C6H5OJ=C6H5CJO+C6H5OH +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+OC6H4CH3=C6H5CJO+HOC6H4CH3 +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CHO+HOC6H4CH2=C6H5CJO+HOC6H4CH3 +1.300E+11 +0.000 +11500.0 ! *:_:* AA *:_:*
+C6H5CJO=C6H5+CO +4.000E+14 +0.000 +29500.0 ! *:_:* AA *:_:*
+HOC6H4CH3+O2=OC6H4CH3+HO2 +1.000E+13 +0.000 +38900.0 ! *:_:* AA *:_:*
+HOC6H4CH3+O2=HOC6H4CH2+HO2 +2.100E+12 +0.000 +39700.0 ! *:_:* AA *:_:*
+HOC6H4CH3+H=C6H5OH+CH3 +5.800E+13 +0.000 +8100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+H=OC6H4CH3+H2 +1.200E+14 +0.000 +12400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+O=OC6H4CH3+OH +1.300E+13 +0.000 +2900.0 ! *:_:* AA *:_:*
+HOC6H4CH3+OH=OC6H4CH3+H2O +1.400E+08 +1.400 -960.0 ! *:_:* AA *:_:*
+HOC6H4CH3+HO2=OC6H4CH3+H2O2 +1.000E+12 +0.000 +10000.0 ! *:_:* AA *:_:*
+HOC6H4CH3+CH3=OC6H4CH3+CH4 +1.800E+11 +0.000 +7700.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H5=OC6H4CH3+C6H6 +4.900E+12 +0.000 +4400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+CY13PD5J=OC6H4CH3+CY13PD +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C3H5-A=OC6H4CH3+C3H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C4H5=OC6H4CH3+C4H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+NC4H5=OC6H4CH3+C4H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H5OJ=OC6H4CH3+C6H5OH +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+H=HOC6H4CH2+H2 +1.200E+14 +0.000 +8400.0 ! *:_:* AA *:_:*
+HOC6H4CH3+O=HOC6H4CH2+OH +6.300E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+HOC6H4CH3+OH=HOC6H4CH2+H2O +5.200E+09 +1.000 +870.0 ! *:_:* AA *:_:*
+HOC6H4CH3+HO2=HOC6H4CH2+H2O2 +4.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+HOC6H4CH3+CH3=HOC6H4CH2+CH4 +1.600E+12 +0.000 +11100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C3H5-A=HOC6H4CH2+C3H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C3H3=HOC6H4CH2+C3H4-P +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C4H5=HOC6H4CH2+C4H6 +1.600E+12 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+NC4H5=HOC6H4CH2+C4H6 +1.600E+12 +0.000 +11100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+CY13PD5J=HOC6H4CH2+CY13PD +1.600E+11 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H5=HOC6H4CH2+C6H6 +7.900E+13 +0.000 +12000.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H5OJ=HOC6H4CH2+C6H5OH +1.600E+11 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H4CH3=OC6H4CH3+C6H5CH3 +7.900E+13 +0.000 +12000.0 ! *:_:* AA *:_:*
+HOC6H4CH3+OC6H4CH3=HOC6H4CH2+HOC6H4CH3 +1.600E+11 +0.000 +15100.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H5CH2OOJ=HOC6H4CH2+C6H5CH2OOH +4.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+HOC6H4CH3+C6H5CH2OJ=HOC6H4CH2+C6H5CH2OH +1.600E+11 +0.000 +11100.0 ! *:_:* AA *:_:*
+HOC6H4CH2+O2=HOC6H4CH2OO +4.600E+11 +0.000 -380.0 ! *:_:* AA *:_:*
+HOC6H4CH2+O2=HOC6H4CH2O+O +6.300E+12 +0.000 +40000.0 ! *:_:* AA *:_:*
+HOC6H4CH2+H=HOC6H4CH3 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+HOC6H4CH2+HO2=HOC6H4CH2OOH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+HOC6H4CH2+CH3=C6H5OH+C2H4 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+HOC6H4CH2OO=HOC6H4CHO+OH +3.400E+09 +1.000 +37500.0 ! *:_:* AA *:_:*
+HOC6H4CH2O=HOC6H4CHO+H +2.000E+13 +0.000 +27500.0 ! *:_:* AA *:_:*
+HOC6H4CH2O+O2=HOC6H4CHO+HO2 +6.000E+10 +0.000 +1600.0 ! *:_:* AA *:_:*
+HOC6H4CHO+H=HOC6H4CO+H2 +4.000E+13 +0.000 +3200.0 ! *:_:* AA *:_:*
+HOC6H4CHO+O=HOC6H4CO+OH +6.000E+12 +0.000 +1800.0 ! *:_:* AA *:_:*
+HOC6H4CHO+OH=HOC6H4CO+H2O +7.800E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+HOC6H4CHO+HO2=HOC6H4CO+H2O2 +3.000E+12 +0.000 +11000.0 ! *:_:* AA *:_:*
+HOC6H4CHO+CH3=HOC6H4CO+CH4 +2.000E-06 +5.600 +1500.0 ! *:_:* AA *:_:*
+HOC6H4CO=C6H5OJ+CO +4.000E+14 +0.000 +29500.0 ! *:_:* AA *:_:*
+HOC6H4CH2O+OH=HOC6H4CH2OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5CH2OH+O2=C6H5CHOH+HO2 +1.400E+12 +0.000 +34000.0 ! *:_:* AA *:_:*
+C6H5CH2OH+O2=C6H5CH2OJ+HO2 +2.000E+14 +0.000 +41400.0 ! *:_:* AA *:_:*
+C6H5CH2OH+H=C6H6+CH2OH +5.800E+13 +0.000 +8100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+H=C6H5CHOH+H2 +8.000E+13 +0.000 +6400.0 ! *:_:* AA *:_:*
+C6H5CH2OH+O=C6H5CHOH+OH +4.200E+11 +0.000 -2000.0 ! *:_:* AA *:_:*
+C6H5CH2OH+OH=C6H5CHOH+H2O +3.900E+09 +1.000 -1100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+HO2=C6H5CHOH+H2O2 +2.700E+11 +0.000 +12000.0 ! *:_:* AA *:_:*
+C6H5CH2OH+CH3=C6H5CHOH+CH4 +1.100E+12 +0.000 +9100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C3H3=C6H5CHOH+C3H4-P +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C3H5-A=C6H5CHOH+C3H6 +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C4H5=C6H5CHOH+C4H6 +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+NC4H5=C6H5CHOH+C4H6 +1.100E+12 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+CY13PD5J=C6H5CHOH+CY13PD +1.100E+12 +0.000 +9100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5=C6H5CHOH+C6H6 +5.200E+13 +0.000 +10000.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5OJ=C6H5CHOH+C6H5OH +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5CH2J=C6H5CHOH+C6H5CH3 +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H4CH3=C6H5CHOH+C6H5CH3 +5.200E+13 +0.000 +10000.0 ! *:_:* AA *:_:*
+C6H5CH2OH+OC6H4CH3=C6H5CHOH+HOC6H4CH3 +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+HOC6H4CH2=C6H5CHOH+HOC6H4CH3 +1.100E+11 +0.000 +13100.0 ! *:_:* AA *:_:*
+C6H5CH2OH+C6H5CH2OJ=C6H5CHOH+C6H5CH2OH +1.100E+11 +0.000 +9100.0 ! *:_:* AA *:_:*
+C6H5CHOH=C6H5CHO+H +2.000E+14 +0.000 +23300.0 ! *:_:* AA *:_:*
+C6H5C2H5+O2=C6H5C2H4P+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+O2=C6H5C2H4S+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+H=C6H5C2H4P+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+H=C6H5C2H4S+H2 +3.376E+05 +2.360 +207.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+O=C6H5C2H4P+OH +9.800E+05 +2.430 +4750.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+O=C6H5C2H4S+OH +6.600E+05 +2.430 +1210.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+OH=C6H5C2H4P+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+OH=C6H5C2H4S+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+HO2=C6H5C2H4P+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+HO2=C6H5C2H4S+H2O2 +6.800E+03 +2.550 +10114.0 ! *:_:* AA *:_:* !!WALKER
+C6H5C2H5+CH3=C6H5C2H4P+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+CH3=C6H5C2H4S+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+C2H3=C6H5C2H4P+C2H4 +6.000E+02 +3.300 +10502.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C2H3=C6H5C2H4S+C2H4 +1.000E+03 +3.100 +8829.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C2H5=C6H5C2H4P+C2H6 +3.160E+11 +0.000 +12300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C2H5=C6H5C2H4S+C2H6 +5.010E+10 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-A=C6H5C2H4P+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-A=C6H5C2H4S+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-T=C6H5C2H4P+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-T=C6H5C2H4S+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-S=C6H5C2H4P+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C3H5-S=C6H5C2H4S+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5=C6H5C2H4P+C6H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5=C6H5C2H4S+C6H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5CH2J=C6H5C2H4P+C6H5CH3 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5CH2J=C6H5C2H4S+C6H5CH3 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5C2H4S=C6H5C2H4P+C6H5C2H5 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+C6H5C2H4S=C6H5C2H4S+C6H5C2H5 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H5+CH3O=C6H5C2H4P+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H5+CH3O=C6H5C2H4S+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H4P+O2=C6H5CH2CH2OO +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C2H4S+O2=C6H5CHOOCH3 +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+C6H5CH2CH2OO=STYR+HO2 +1.000E+10 +0.860 +27600.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323.
+C6H5CHOOCH3=STYR+HO2 +5.000E+10 +0.760 +27200.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323. /2
+STYR+H=C6H5C2H4P +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+STYR+H=C6H5C2H4S +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C2H4+C6H5=C6H5C2H4P +2.000E+11 +0.000 +7800.0 ! *:_:* AA *:_:*
+C6H5C2H4S+O2=STYR+HO2 +7.000E+11 +0.000 +15000.0 ! *:_:* AA *:_:*
+C6H5C2H4P+O2=STYR+HO2 +1.500E+12 +0.000 +5000.0 ! *:_:* AA *:_:*
+C6H5C2H4S+HO2=C6H5CHO+CH3+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5C2H4P+HO2=C6H5CH2J+CH2O+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5C2H4S+H=C6H5C2H5 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+STYR=C6H6+C2H2 +1.580E+11 +0.000 +58440.0 ! *:_:* AA *:_:*
+C6H5+C2H4=STYR+H +2.510E+12 +0.000 +6200.0 ! *:_:* AA *:_:*
+STYR+H=C6H5CCH2+H2 +3.230E+07 +2.095 +15842.0 ! *:_:* AA *:_:*
+STYR+OH=C6H5CCH2+H2O +2.110E+13 +0.000 +4571.0 ! *:_:* AA *:_:*
+C6H5CCH2+O2=C6H5OJ+CH2CO +1.880E+12 +0.000 +7469.0 ! *:_:* AA *:_:*
+C6H5CCH2+H=STYR +1.110E+16 -0.817 +690.0 ! *:_:* AA *:_:*
+C6H5+C2H2=C6H5CCH2 +1.100E+41 -8.610 +18152.0 ! *:_:* AA *:_:*
+STYR+H=C6H5C2H2+H2 +5.070E+07 +1.930 +12951.0 ! *:_:* AA *:_:*
+STYR+OH=C6H5C2H2+H2O +2.020E+13 +0.000 +5955.0 ! *:_:* AA *:_:*
+STYR+O=C6H5C2H2+OH +7.550E+06 +1.910 +3736.0 ! *:_:* AA *:_:*
+C6H5+C2H2=C6H5C2H2 +6.700E+34 -7.040 +10987.0 ! *:_:* AA *:_:*
+STYR+O2=C6H5CCH2+HO2 +2.000E+13 +0.000 +57900.0 ! *:_:* AA *:_:*
+C6H5+H(+M)=C6H6(+M) +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW / 6.6E+75 -16.3 7000.0 /
+ TROE / 1.0 0.1 584.9 6113.0 /
+ H2 /2.0/ H2O /6.0/ CH4 /2.0/ CO /1.5/ CO2 /2.0/
+C6H6+O2=C6H5+HO2 +6.300E+13 +0.000 +60000.0 ! *:_:* AA *:_:*
+C6H6+O=C6H5OJ+H +2.200E+13 +0.000 +4530.0 ! *:_:* AA *:_:*
+C6H6+O=C6H5+OH +2.000E+13 +0.000 +14700.0 ! *:_:* AA *:_:*
+C6H6+H=C6H5+H2 +2.500E+14 +0.000 +16000.0 ! *:_:* AA *:_:*
+C6H6+CH3=C6H5+CH4 +7.320E+12 +0.000 +18920.0 ! *:_:* AA *:_:*
+C6H6+HO2=C6H5+H2O2 +5.500E+12 +0.000 +28900.0 ! *:_:* AA *:_:*
+C6H6+OH=C6H5+H2O +1.200E+00 +4.100 -301.0 ! *:_:* AA *:_:*
+C6H6+OH=C6H5OH+H +1.320E+02 +3.250 +5590.0 ! *:_:* AA *:_:*
+C6H5=>H+C4H2+C2H2 +4.300E+12 +0.620 +77294.0 ! *:_:* AA *:_:*
+C6H5+CH2O=C6H6+HCO +8.550E+04 +2.190 +38.0 ! *:_:* AA *:_:*
+C6H5+CH2O=C6H5CHO+H +2.910E+04 +2.090 -411.0 ! *:_:* AA *:_:*
+C6H5+HCO=C6H6+CO +8.550E+04 +2.190 +38.0 ! *:_:* AA *:_:*
+C6H5+HO2=C6H5OJ+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5+O2=C6H5OJ+O +2.600E+13 +0.000 +6120.0 ! *:_:* AA *:_:*
+C6H5+O2=C6H5O2 +1.860E+13 -0.220 -711.0 ! *:_:* AA *:_:*
+C6H5O2=C6H5OJ+O +1.270E+15 -0.246 +38536.0 ! *:_:* AA *:_:*
+C6H5O2+C6H5CH3=C6H5OOH+C6H5CH2J +4.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+C6H5OJ+OH=C6H5OOH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5O2+C6H5OH=C6H5OOH+C6H5OJ +1.330E+11 +0.000 +14000.0 ! *:_:* AA *:_:*
+C6H5+C2H5=C6H5C2H5 +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5+C2H3=STYR +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5OH+O2=C6H5OJ+HO2 +1.000E+13 +0.000 +38800.0 ! *:_:* AA *:_:*
+C6H5OH+O=OC6H4OH+H +1.600E+13 +0.000 +3400.0 ! *:_:* AA *:_:*
+C6H5OH+H=C6H5OJ+H2 +1.200E+14 +0.000 +12400.0 ! *:_:* AA *:_:*
+C6H5OH+O=C6H5OJ+OH +1.300E+13 +0.000 +2900.0 ! *:_:* AA *:_:*
+C6H5OH+OH=C6H5OJ+H2O +2.950E+06 +2.000 -1312.0 ! *:_:* AA *:_:*
+C6H5OH+HO2=C6H5OJ+H2O2 +1.000E+12 +0.000 +10000.0 ! *:_:* AA *:_:*
+C6H5OH+CH3=C6H5OJ+CH4 +1.800E+11 +0.000 +7700.0 ! *:_:* AA *:_:*
+C6H5OH+C6H5=C6H5OJ+C6H6 +4.900E+12 +0.000 +4400.0 ! *:_:* AA *:_:*
+C6H5OH+C3H5-A=C6H5OJ+C3H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+C6H5OH+C4H5=C6H5OJ+C4H6 +4.900E+11 +0.000 +9400.0 ! *:_:* AA *:_:*
+C6H5OH+H=C6H4OH+H2 +1.700E+14 +0.000 +16000.0 ! *:_:* AA *:_:*
+C6H5OH+O=C6H4OH+OH +2.000E+13 +0.000 +14700.0 ! *:_:* AA *:_:*
+C6H5OH+OH=C6H4OH+H2O +1.400E+13 +0.000 +4600.0 ! *:_:* AA *:_:*
+C6H5OH+HO2=C6H4OH+H2O2 +4.000E+11 +0.000 +28900.0 ! *:_:* AA *:_:*
+C6H5OH+CH3=C6H4OH+CH4 +2.000E+12 +0.000 +15000.0 ! *:_:* AA *:_:*
+C6H4OH+O2=OC6H4OH+O +2.100E+13 +0.000 +6100.0 ! *:_:* AA *:_:*
+C6H4OH+H=C6H5OH +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+OC6H4OH=CYC5H4OH+CO +7.400E+11 +0.000 +43800.0 ! *:_:* AA *:_:*
+C6H5OJ+H(+M)=C6H5OH(+M) +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW /1.0E+94 -21.84 13880. /
+ TROE /0.043 304.2 60000. 5896.4 /
+C6H5OH=CY13PD+CO +4.310E+15 -0.610 +74115.0 ! *:_:* AA *:_:*
+C6H5OJ=CO+CY13PD5J +2.500E+11 +0.000 +43900.0 ! *:_:* AA *:_:*
+C6H5OJ+H=CO+CY13PD +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5OJ+O=CY13PD5J+CO2 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5OJ+O=OC6H4OH +2.600E+10 +0.470 +800.0 ! *:_:* AA *:_:*
+C6H5OJ+HO2=YOC6JDO+OH +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+OC6H4O+H=P-OC6H5OJ +4.000E+12 +0.000 +9740.0 ! *:_:* AA *:_:*
+O-C6H4O2+H=YOC6JDO +4.000E+12 +0.000 +6960.0 ! *:_:* AA *:_:*
+C6H5OJ+O=OC6H4O+H +4.250E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+C6H5OJ+O=O-C6H4O2+H +8.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+O-C6H4O2=CYPDONE+CO +1.000E+12 +0.000 +40000.0 ! *:_:* AA *:_:*
+OC6H4O=CYPDONE+CO +3.700E+11 +0.000 +59000.0 ! *:_:* AA *:_:*
+OC6H4O+H=CYC5H5OJ+CO +2.500E+13 +0.000 +4700.0 ! *:_:* AA *:_:*
+OC6H4O+H=P-C6H3O2+H2 +2.000E+12 +0.000 +8100.0 ! *:_:* AA *:_:*
+OC6H4O+O=P-C6H3O2+OH +1.400E+13 +0.000 +14700.0 ! *:_:* AA *:_:*
+OC6H4O+OH=P-C6H3O2+H2O +1.000E+06 +2.000 +4000.0 ! *:_:* AA *:_:*
+P-C6H3O2+H=OC6H4O +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+P-C6H3O2+H=2C2H2+2CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+P-C6H3O2+O=C2H2+HCCO+2CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+OC6H4O+O=2CO+C2H2+CH2CO +3.000E+13 +0.000 +5000.0 ! *:_:* AA *:_:*
+CY13PD5J+H(+M)=CY13PD(+M) +2.600E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+ LOW /4.400E+80 -18.28 12994/
+ TROE /0.0680 400.700 4135.8 5501.9/
+ CO /1.5/ CO2 /2.0/ H2O /6.0/ H2 /2.0/ CH4 /2.0/
+CY13PD(+M)=C3H4-A+C2H2(+M) +3.800E+17 +0.000 +104000.0 ! *:_:* AA *:_:*
+ LOW /1.00E+98 -22.25 126321.5/
+ TROE /1.440547E-01 5.357622E+00 3.283766E+03 6.710101E+09/
+ CO /1.5/ CO2 /2.0/ H2O /6.0/ H2 /2.0/ CH4 /2.0/
+CY13PD5J+CH3=CH3CY24PD +1.000E+13 +0.000 +3000.0 ! *:_:* AA *:_:* HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+CY13PD+CH3=CH3CY24PD+H +6.310E+10 +0.000 +7492.0 ! *:_:* AA *:_:* !! 1988PER/RIC621
+CH3CY24PD=C6H6+H2 +2.500E+13 +0.000 +60000.0 ! *:_:* AA *:_:* !+!
+CH3CY24PD+OH=H2O+FULVENE+H +1.540E+06 +2.000 +0.0 ! *:_:* AA *:_:* C5H6+OH=C5H5+H2O /2
+CH3CY24PD+CH3=CH4+FULVENE+H +2.500E+11 +0.000 +5000.0 ! *:_:* AA *:_:* PITZ2001
+CH3CY24PD+H=H2+FULVENE+H +1.200E+14 +0.000 +8000.0 ! *:_:* AA *:_:* PITZ2001
+CH3CY24PD+O2=HO2+FULVENE+H +4.000E+13 +0.000 +37150.0 ! *:_:* AA *:_:* C5H6+O2=C5H5+HO2
+CH3CY24PD+HO2=H2O2+FULVENE+H +1.100E+04 +2.600 +12900.0 ! *:_:* AA *:_:* C5H6+O2=C5H5+HO2
+CY13PD+CY13PD5J=>C6H5C4H5+H +1.100E+17 -1.407 +23454.0 ! *:_:* AA *:_:* 5.53350E+16 -1.407 23454 !C. CAVALLOTTI, D. POLINO, A. FRASSOLDATI, E. RANZI, J. PHYS. CHEM. A. 116 (2012) 3313�3324.
+CY13PD5J+CY13PD=>IND+CH3 +3.150E+25 -3.935 +23108.0 ! *:_:* AA *:_:* 1.57398E+25 -3.935 23108 !C. CAVALLOTTI, D. POLINO, A. FRASSOLDATI, E. RANZI, J. PHYS. CHEM. A. 116 (2012) 3313�3324.
+CY13PD5J+CY13PD=>C6H6+NC4H5 +3.000E+29 -4.515 +40873.0 ! *:_:* AA *:_:* 1.48594E+29 -4.515 40873 !C. CAVALLOTTI, D. POLINO, A. FRASSOLDATI, E. RANZI, J. PHYS. CHEM. A. 116 (2012) 3313�3324.
+CY13PD5J+CY13PD=>STYR+C2H3 +2.400E+65 -14.200 +74645.0 ! *:_:* AA *:_:* 1.19399E+65 -14.20 74645 !C. CAVALLOTTI, D. POLINO, A. FRASSOLDATI, E. RANZI, J. PHYS. CHEM. A. 116 (2012) 3313�3324.
+2CY13PD5J=>C10H9+H +5.240E+14 -0.853 +3650.0 ! *:_:* AA *:_:* DERIVED FROM CAVALLOTTI AND POLINO PROCEEDINGS OF THE COMBUSTION INSTITUTE, VOLUME 34, ISSUE 1, 2013, PAGES 557-564
+2CY13PD5J=C10H10 +8.000E+12 +0.000 +3000.0 ! *:_:* AA *:_:*
+C6H5C4H5+H=C6H6+NC4H5 +7.000E+12 +0.000 +4460.0 ! *:_:* AA *:_:* LITERATURE REVIEW
+C6H5C4H5+H=STYR+C2H3 +7.000E+12 +0.000 +4460.0 ! *:_:* AA *:_:* LITERATURE REVIEW
+C6H5C4H5+H=C6H5CCH2+C2H4 +7.000E+12 +0.000 +4460.0 ! *:_:* AA *:_:* LITERATURE REVIEW
+C6H5C4H5+OH=C6H5OH+NC4H5 +7.800E+02 +2.880 +3221.0 ! *:_:* AA *:_:* 2006SET/NAK5081-5090
+H+IND=>C6H5+0.5C3H4-A+0.5C3H4-P +2.500E+12 +0.000 +3000.0 ! *:_:* AA *:_:*
+OH+IND=>C6H5+C2H4+CO +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+C10H9=NAPH+H +3.000E+13 +0.000 +39000.0 ! *:_:* AA *:_:* MM ESTIMATED
+C10H9+H=C10H10 +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* COLLISIONAL
+C10H10+H=NC4H5+C6H6 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* +!
+C10H10+OH=CXOCXCCJ+C6H6 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* +!
+C10H10+O2=C10H9+HO2 +4.000E+13 +0.000 +37150.0 ! *:_:* AA *:_:*
+C10H10+HO2=C10H9+H2O2 +1.100E+04 +2.600 +12900.0 ! *:_:* AA *:_:*
+C10H10+OH=C10H9+H2O +3.080E+06 +2.000 +0.0 ! *:_:* AA *:_:*
+C10H10+CY13PD5J=CY13PD+C10H9 +1.100E+11 +0.000 +5505.0 ! *:_:* AA *:_:* !!1997BUR/DVI505-514
+C10H10+NC4H5=C10H9+C4H6 +1.000E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+C10H10+H=C10H9+H2 +1.700E+05 +2.500 +2484.0 ! *:_:* AA *:_:*
+C10H10+O=C10H9+OH +4.800E+04 +2.710 +1100.0 ! *:_:* AA *:_:*
+C10H9+HO2=>C6H5CHO+C3H3+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* 1/2 C6H5CH2+HO2
+C10H10+C2H3=C10H9+C2H4 +1.200E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+C10H10+C6H5OJ=C10H9+C6H5OH +3.160E+11 +0.000 +8000.0 ! *:_:* AA *:_:*
+C10H10+CH3=C10H9+CH4 +1.800E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+C10H10+C6H5=C10H9+C6H6 +1.000E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+O2=CY13PD5J+HO2 +4.000E+13 +0.000 +37150.0 ! *:_:* AA *:_:*
+CY13PD+HO2=CY13PD5J+H2O2 +1.100E+04 +2.600 +12900.0 ! *:_:* AA *:_:*
+CY13PD+OH=CY13PD5J+H2O +3.080E+06 +2.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+H=CY13PD5J+H2 +3.400E+05 +2.500 +2484.0 ! *:_:* AA *:_:* MM X2
+CY13PD+H=C2H2+C3H5-A +3.870E+36 -6.180 +32890.0 ! *:_:* AA *:_:* ! 7.74E+36 -6.18 32890.0 RATE /2
+CY13PD+O=CY13PD5J+OH +4.800E+04 +2.710 +1100.0 ! *:_:* AA *:_:*
+CY13PD+C2H3=CY13PD5J+C2H4 +1.200E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+C6H5OJ=CY13PD5J+C6H5OH +3.160E+11 +0.000 +8000.0 ! *:_:* AA *:_:*
+CY13PD+CH3=CY13PD5J+CH4 +1.800E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+C6H5=CY13PD5J+C6H6 +1.000E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+C3H5-A=CY13PD5J+C3H6 +5.500E+10 +0.000 +5505.0 ! *:_:* AA *:_:* !/2
+CY13PD5J=C3H3+C2H2 +1.980E+68 -15.000 +124900.0 ! *:_:* AA *:_:*
+CY13PD5J+O=NC4H5+CO +3.200E+13 -0.170 +440.0 ! *:_:* AA *:_:*
+CY13PD5J+O=CYPDONE+H +5.800E+13 -0.020 +20.0 ! *:_:* AA *:_:*
+CY13PD5J+OH=CYC5H5OH +6.500E+14 -0.850 -2730.0 ! *:_:* AA *:_:*
+ DUP
+CY13PD5J+OH=CYC5H5OH +1.100E+43 -8.760 +18730.0 ! *:_:* AA *:_:*
+ DUP
+CY13PD5J+OH=CYC5H5OH +1.100E+59 -13.080 +33450.0 ! *:_:* AA *:_:*
+ DUP
+CY13PD5J+OH=CYC5H4OH+H +3.500E+57 -12.180 +48350.0 ! *:_:* AA *:_:*
+CY13PD5J+OH=C4H6+CO +4.000E+14 +0.000 +4500.0 ! *:_:* AA *:_:*
+CY13PD5J+HO2=CYC5H5OJ+OH +6.300E+29 -4.690 +11650.0 ! *:_:* AA *:_:*
+CY13PD5J+O2=CXCCXCXO+HCO +6.000E+18 -2.480 +10970.0 ! *:_:* AA *:_:*
+CXCCXCXO+H=C3H5-A+CO +6.600E+13 -0.020 +2740.0 ! *:_:* AA *:_:*
+ DUP
+CXCCXCXO+H=C3H5-A+CO +5.900E+06 +2.000 +1300.0 ! *:_:* AA *:_:*
+ DUP
+CXCCXCXO+O=CH2CHO+HCCO +3.000E+08 +1.450 -860.0 ! *:_:* AA *:_:*
+CXCCXCXO+OH=C3H5-A+CO2 +3.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CXCCXCXO+OH=C2H2+HCCO+H2O +2.020E+13 +0.000 +5933.0 ! *:_:* AA *:_:* PITZ2001
+C3H3+C2H2=CJCXCC#C +4.110E+72 -18.200 +45400.0 ! *:_:* AA *:_:*
+CJCXCC#C=CY13PD5J +8.000E+13 +0.000 +34058.3 ! *:_:* AA *:_:*
+CJCXCC#C+H=CY13PD +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CJCXCC#C+H=C5H6-L +1.000E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+C5H6-L+O=CJCXCC#C+OH +1.000E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+C5H6-L+OH=CJCXCC#C+H2O +1.000E+10 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H5OH+H=CYC5H4OH+H2 +3.200E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H5OH+H=CYC5H5OJ+H2 +4.000E+13 +0.000 +6094.0 ! *:_:* AA *:_:*
+CYC5H5OH+OH=CYC5H4OH+H2O +5.500E+12 +0.000 +1731.0 ! *:_:* AA *:_:*
+CYC5H5OH+OH=CYC5H5OJ+H2O +1.000E+13 +0.000 +1697.0 ! *:_:* AA *:_:*
+CYC5H5OH+O=CYC5H4OH+OH +4.700E+11 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H5OH+O=CYC5H5OJ+OH +1.000E+13 +0.000 +4683.0 ! *:_:* AA *:_:*
+CYC5H5OH+HO2=CYC5H4OH+H2O2 +3.600E+03 +2.550 +10531.0 ! *:_:* AA *:_:*
+CYC5H5OH+HO2=CYC5H5OJ+H2O2 +1.000E+13 +0.000 +15800.0 ! *:_:* AA *:_:*
+CYC5H5OJ=CYPDONE+H +2.900E+32 -6.500 +21220.0 ! *:_:* AA *:_:*
+CYC5H5OJ=NC4H5+CO +1.100E+79 -19.620 +66250.0 ! *:_:* AA *:_:*
+CYC5H5OJ=OXCCXCCXCJ +2.000E+13 +0.000 +14338.0 ! *:_:* AA *:_:*
+OXCCXCCXCJ=OXCJCXCCXC +4.300E+11 -1.050 +4118.0 ! *:_:* AA *:_:*
+NC4H5+CO=OXCJCXCCXC +1.510E+11 +0.000 +4810.0 ! *:_:* AA *:_:*
+OXCCXCCXCJ=C2H2+CJXCCXO +3.000E+13 +0.000 +43710.0 ! *:_:* AA *:_:*
+CJXCCXO=C2H3CO +1.400E+09 +0.980 +32100.0 ! *:_:* AA *:_:*
+C2H2+HCO=CJXCCXO +7.770E+06 +1.410 +7755.0 ! *:_:* AA *:_:*
+CYC5H4OH+H=CYC5H5OH +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H4OH+H=CYPDONE+H2 +2.100E+13 +0.000 +54000.0 ! *:_:* AA *:_:*
+CYC5H4OH+O2=CYPDONE+HO2 +3.000E+13 +0.000 +5000.0 ! *:_:* AA *:_:*
+CYPDONE=>CO+2C2H2 +5.700E+32 -6.760 +68500.0 ! *:_:* AA *:_:*
+ DUP
+CYPDONE=>CO+2C2H2 +6.200E+41 -7.870 +98700.0 ! *:_:* AA *:_:*
+ DUP
+CYPDONE+H=NC4H5+CO +2.100E+61 -13.270 +40810.0 ! *:_:* AA *:_:*
+CYPDONE+O=C4H4+CO2 +1.000E+13 +0.000 +2000.0 ! *:_:* AA *:_:*
+CYPDONE+H=CPDJONE+H2 +2.000E+12 +0.000 +8100.0 ! *:_:* AA *:_:*
+CYPDONE+O=CPDJONE+OH +1.400E+13 +0.000 +1470.0 ! *:_:* AA *:_:*
+CYPDONE+OH=CPDJONE+H2O +1.100E+08 +1.420 +1450.0 ! *:_:* AA *:_:*
+CPDJONE+H=CYPDONE +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CPDJONE+O2=>CO2+C2H2+HCCO +9.700E+58 -13.470 +38180.0 ! *:_:* AA *:_:*
+CPDJONE=>C2H2+CO+C2H +2.000E+13 +0.000 +51000.0 ! *:_:* AA *:_:*
+CYC5H7U1=CXCCJCXC +3.200E+15 +0.000 +39500.0 ! *:_:* AA *:_:*
+CYC5H7U1+H=CY13PD+H2 +3.600E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H7U1+O=CY13PD+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H7U1+OH=CY13PD+H2O +2.400E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CYC5H7U1+O2=CXOCCCJCXO +8.900E+24 -3.800 +20000.0 ! *:_:* AA *:_:*
+CY13PD+H=CYC5H7U1 +2.400E+73 -17.850 +31500.0 ! *:_:* AA *:_:*
+CY13PD+H=CXCCJCXC +1.100E+14 -0.160 +3100.0 ! *:_:* AA *:_:*
+CY13PD+O=CYC5H5OJ+H +8.900E+12 -0.150 +590.0 ! *:_:* AA *:_:*
+ DUP
+CY13PD+O=CYC5H5OJ+H +5.600E+12 -0.060 +200.0 ! *:_:* AA *:_:*
+ DUP
+CY13PD+OH=C*CCJC*COH +1.100E+13 -0.070 +870.0 ! *:_:* AA *:_:*
+CY13PD+HO2=CYC5H7U1+O2 +1.300E+15 -1.070 +9530.0 ! *:_:* AA *:_:*
+CY13PD+HCO=CY13PD5J+CH2O +1.080E+08 +1.900 +16000.0 ! *:_:* AA *:_:*
+CY13PD+C2H3=C6H6+CH3 +2.100E+67 -16.080 +42460.0 ! *:_:* AA *:_:*
+CY13PD+C4H5=CY13PD5J+C4H6 +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CY13PD+NC4H5=CY13PD5J+C4H6 +6.000E+12 +0.000 +0.0 ! *:_:* AA *:_:*
+CXCCJCXC=CXCCXCCJ +5.400E+11 -0.700 +60.0 ! *:_:* AA *:_:*
+CXCCXCCJ+H=CXCCXCC +2.300E+20 -1.600 +3020.0 ! *:_:* AA *:_:*
+CXCCXCC+H=C4H6+CH3 +5.200E+71 -16.380 +51000.0 ! *:_:* AA *:_:*
+CXCCXCC+H=CXCCXCCJ+H2 +7.000E+06 +2.000 +5000.0 ! *:_:* AA *:_:*
+CXCCXCC+OH=CXCCXCCJ+H2O +7.000E+06 +2.000 +0.0 ! *:_:* AA *:_:*
+CXCCJCXC+O2=C2H3CHO+CH2CHO +1.200E+36 -7.250 +33600.0 ! *:_:* AA *:_:*
+CXCCXCCJ+H=NC4H5+CH3 +2.900E+26 -2.180 +36770.0 ! *:_:* AA *:_:*
+CXCCJCXC+O=C2H3CHO+C2H3 +2.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+CXCCXCCJ+OH=CXCCXCCOH +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CXCCXCCJ+O2=C2H3CHCHO+CH2O +8.200E+10 +0.180 +9140.0 ! *:_:* AA *:_:*
+CXCCXCCOH+H=C4H6+CH2OH +2.500E+34 -6.120 +16250.0 ! *:_:* AA *:_:*
+CXOCCCJCXO+O2=CXOCCCXO+HOCO +6.300E+05 -7.250 +33600.0 ! *:_:* AA *:_:*
+C*CCJC*COH+O2=HOC*CC*O+CH2CHO +1.200E+36 -7.250 +33600.0 ! *:_:* AA *:_:*
+HOC*CC*O+OH=HOC*CCJ*O+H2O +2.690E+10 +0.760 -340.0 ! *:_:* AA *:_:*
+HOC*CC*O+HO2=HOC*CCJ*O+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* AA *:_:*
+HOC*CC*O+CH3=HOC*CCJ*O+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* AA *:_:*
+HOC*CC*O+O=HOC*CCJ*O+OH +7.180E+12 +0.000 +1389.0 ! *:_:* AA *:_:*
+HOC*CC*O+O2=HOC*CCJ*O+HO2 +2.000E+13 +0.000 +40700.0 ! *:_:* AA *:_:*
+HOC*CC*O+H=HOC*CCJ*O+H2 +2.600E+12 +0.000 +2600.0 ! *:_:* AA *:_:*
+C2H2OH+CO=HOC*CCJ*O +1.510E+11 +0.000 +4810.0 ! *:_:* AA *:_:*
+CXOCCCXO+H=CXOCCCJXO+H2 +2.300E+10 +1.050 +3279.0 ! *:_:* AA *:_:*
+CXOCCCXO+OH=CXOCCCJXO+H2O +3.500E+09 +1.180 -447.0 ! *:_:* AA *:_:*
+CXOCCCJXO+O2=DHCO2J+C2H4 +1.600E+45 -9.920 +20670.0 ! *:_:* AA *:_:*
+DHCO2J=HOCO+CO2 +3.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:*
+C2H3CHCHO=C3H5-A+CO +6.100E+05 +0.920 -1120.0 ! *:_:* AA *:_:*
+C2H3CHCHO+O2=C2H3CHO+HOCO +1.200E+36 -7.250 +33600.0 ! *:_:* AA *:_:*
+HOCO=CO+OH +1.186E+14 +0.130 +36460.0 ! *:_:* AA *:_:*
+HOCO=CO2+H +8.220E+11 +0.410 +35340.0 ! *:_:* AA *:_:*
+NAPH=NAPH-+H +8.600E+60 -12.480 +148076.0 ! *:_:* AA *:_:*
+NAPH+H=NAPH-+H2 +2.650E+08 +1.870 +17096.1 ! *:_:* AA *:_:*
+NAPH+OH=NAPH-+H2O +9.630E+02 +3.020 +4373.8 ! *:_:* AA *:_:*
+NAPH=NAPH*+H +8.600E+60 -12.480 +148076.0 ! *:_:* AA *:_:*
+NAPH+H=NAPH*+H2 +2.650E+08 +1.870 +17096.1 ! *:_:* AA *:_:*
+NAPH+OH=NAPH*+H2O +9.630E+02 +3.020 +4373.8 ! *:_:* AA *:_:*
+NAPH+C2H3=NAPH-+C2H4 +4.080E-01 +4.020 +8803.0 ! *:_:* AA *:_:* ! 2004TOK/LIN9697-9714 C6H6+C2H3
+NAPH+C2H3=NAPH*+C2H4 +4.080E-01 +4.020 +8803.0 ! *:_:* AA *:_:* ! 2004TOK/LIN9697-9714 C6H6+C2H3
+NAPH*+O2=NAPHO+O +8.570E+20 -2.270 +7189.3 ! *:_:* AA *:_:*
+NAPH*+O=NAPHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPH*+OH=NAPHO+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPH-+O2=NAPHO+O +8.570E+20 -2.270 +7189.3 ! *:_:* AA *:_:*
+NAPH-+O=NAPHO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPH-+OH=NAPHO+H +3.000E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPHO=C9H7+CO +2.900E+10 +0.000 +36424.5 ! *:_:* AA *:_:*
+NAPHO+O=>C9H6O+CO+H +1.680E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+NAPHO+O2=>C9H6O+CO+OH +6.510E+07 +1.300 +17667.3 ! *:_:* AA *:_:*
+C9H7+H=IND +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:*
+IND+O2=C9H7+HO2 +4.000E+13 +0.000 +37150.0 ! *:_:* AA *:_:*
+IND+HO2=C9H7+H2O2 +1.100E+04 +2.600 +12900.0 ! *:_:* AA *:_:*
+IND+OH=C9H7+H2O +3.080E+06 +2.000 +0.0 ! *:_:* AA *:_:*
+IND+H=C9H7+H2 +1.700E+05 +2.500 +2484.0 ! *:_:* AA *:_:*
+IND+O=C9H7+OH +4.800E+04 +2.710 +1100.0 ! *:_:* AA *:_:*
+IND+C2H3=C9H7+C2H4 +1.200E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+IND+C6H5OJ=C9H7+C6H5OH +3.160E+11 +0.000 +8000.0 ! *:_:* AA *:_:*
+IND+CH3=C9H7+CH4 +1.800E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+IND+C6H5=C9H7+C6H6 +1.000E-01 +4.000 +0.0 ! *:_:* AA *:_:*
+IND+H=C3H3+C6H6 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* !!!MM
+C9H6O=>O-C6H4+C2H2+CO +3.370E+44 -8.000 +108675.9 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+O=C9H6O+H +2.800E+13 +0.000 +0.0 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+O2=C9H6O+OH +1.740E+07 +1.300 +17667.3 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+HO2=>C9H6O+H+OH +1.240E+13 +0.000 +0.0 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C9H7+OH=>C9H6O+H2 +4.080E+12 +0.000 +0.0 ! *:_:* AA *:_:* K. NARAYANASWAMY, G. BLANQUART, H. PITSCH, COMBUSTION AND FLAME 157, (2010) 1879�1898.
+C3H3+NAPH=>FLUORENE+H +3.000E+12 +0.000 +23000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+CY13PD5J+NAPH=>C14H10+CH3 +3.000E+12 +0.000 +23000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+C6H5+NAPH=>C16H10+H+H2 +3.000E+12 +0.000 +10000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+C6H5CH2J+NAPH=>0.28571C16H10+0.571425BIN1A+CH3 +3.000E+12 +0.000 +23000.0 ! *:_:* AA *:_:* DERIVED FROM HTTP://CRECKMODELING.CHEM.POLIMI.IT/IMAGES/DOWNLOADS/KINETICSCHEMES/VERSION1212/POLIMI_TOT1212.CKI
+C2H2+NC4H5=C6H6+H +1.650E+16 -1.010 +9481.0 ! *:_:* AA *:_:* !!2007SEN/MIL3740-3747
+C2H2+NC4H5=FULVENE+H +1.230E+20 -2.000 +16200.0 ! *:_:* AA *:_:* !!!!!!2007SEN/MIL3740-3747
+C6H5C2H5=C6H6+C2H4 +1.150E+09 +0.000 +51699.0 ! *:_:* AA *:_:* CLARK AND PRICE 1970 CAN. J. CHEM. VOL. 48
+C6H5C2H5=STYR+H2 +5.010E+12 +0.000 +63988.0 ! *:_:* AA *:_:* CLARK AND PRICE 1970 CAN. J. CHEM. VOL. 48
+C6H5C2H4S+O=C6H5+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4S+O=C6H5CHO+CH3 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4S+OH=C6H5CHO+CH4 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+NC4H5+C4H4=STYR+H +3.160E+11 +0.000 +3700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+2C4H4=STYR +1.480E+14 +0.000 +38003.0 ! *:_:* AA *:_:* 84LUN/HEI
+STYR=C6H5C2H2+H +5.000E+15 +0.000 +109400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. !+!
+STYR+O2=C6H5C2H2+HO2 +4.000E+13 +0.000 +59800.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. !+!
+STYR+HO2=C6H5C2H2+H2O2 +7.500E+10 +0.000 +14190.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+HO2=C6H5CCH2+H2O2 +7.500E+10 +0.000 +13190.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+O=C6H5CH2J+HCO +1.200E+08 +1.400 +530.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. !
+STYR+C6H5=C6H5C2H2+C6H6 +2.000E+11 +0.000 +20000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+C6H5=C6H5CCH2+C6H6 +2.000E+11 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+C6H5OJ=C6H5C2H2+C6H5OH +2.000E+11 +0.000 +20000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+C6H5OJ=C6H5CCH2+C6H5OH +2.000E+11 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+CY13PD5J=C6H5C2H2+CY13PD +2.000E+11 +0.000 +20000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+CY13PD5J=C6H5CCH2+CY13PD +2.000E+11 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+STYR+OH=C6H4C2H3+H2O +1.630E+07 +1.420 +1454.0 ! *:_:* AA *:_:* MARINOV 1996
+STYR+H=>C6H4C2H3+H2 +1.900E+07 +2.000 +9698.0 ! *:_:* AA *:_:* ELLIS 2003
+STYR+HO2=>C6H5CH2J+HCO+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.*3
+STYR+HO2=>C6H5CHO+CH2+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.*3
+C6H5C2H2+H=C6H5CCH2+H +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H5C2H2=C6H5C2H+H +3.000E+12 +0.000 +37830.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H2+O2=C6H5CHO+HCO +2.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H2+C6H5=C6H5C2H+C6H6 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+O2=C6H5CJO+CH2O +2.000E+11 +0.000 +14000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+O=C6H5+CH2CO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2=C6H5C2H+H +3.000E+12 +0.000 +48030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+C6H5=C6H5C2H+C6H6 +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCH2+OH=C6H5C2H+H2O +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H5CCH2+H=C6H5C2H+H2 +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H5CH2HCO+O2=>C6H5CH2CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+HO2=>C6H5CH2CO+H2O2 +4.095E+04 +2.500 +10204.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+OH=>C6H5CH2CO+H2O +2.690E+08 +1.350 -1574.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+O=>C6H5CH2CO+OH +5.850E+12 +0.000 +1808.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+H=>C6H5CH2CO+H2 +4.095E+09 +1.160 +2404.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+CH3=>C6H5CH2CO+CH4 +3.498E-08 +6.210 +1639.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO=>C6H5CH2J+HCO +5.000E+16 +0.000 +71600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2HCO+H=C6H6+CH2CHO +5.780E+13 +0.000 +8088.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CO=C6H5CH2J+CO +3.980E+14 +0.000 +29401.0 ! *:_:* AA *:_:* 71SOL/BEN2
+C6H5CH2CO+O2=C6H5CH2OJ+CO2 +3.000E+10 +0.000 +2870.0 ! *:_:* AA *:_:* EST/C3H3+O2
+C6H5CH2CO+HO2=>C6H5CH2J+CO2+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* EST/RAD+HO2
+C6H5+CH2CO=C6H5CH2CO +3.200E+04 +2.400 +489.0 ! *:_:* AA *:_:* CHOI AND LIN 2004 CHEMPHYSCHEM VOL. 5 PP. 225-232
+C6H5+CH2CO=C6H5COCH2 +6.200E+19 -2.300 +15083.0 ! *:_:* AA *:_:* CHOI AND LIN 2004 CHEMPHYSCHEM VOL. 5 PP. 225-232
+C6H5C2H+OH=>C6H6+HCCO +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+H=C6H4C2H+H2 +5.000E+13 -0.480 +1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+OH=C6H4C2H+H2O +1.050E+13 +0.000 +4565.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+C2H=C6H4C2H+C2H2 +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+O=C6H5CCO+H +4.800E+09 +1.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H+CH3=C6H4C2H+CH4 +1.670E+12 +0.000 +15057.0 ! *:_:* AA *:_:* MARINOV 1996
+C6H4C2H+C2H2=A1C2HAC +1.900E+21 -2.930 +8100.0 ! *:_:* AA *:_:* 94WANG/FRENK 10BAR 28/10/04
+C6H4C2H+C2H2=A2-X +5.100E+48 -10.530 +28000.0 ! *:_:* AA *:_:* 94WANG/FRENK 10BAR 28/10/04
+C6H4C2H+H=C6H5C2H +4.200E+11 +0.480 -71.7 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CCO+O2=C6H5CJO+CO2 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CHCO+OH=C6H5CH2J+CO2 +3.730E+12 +0.000 -1010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CHCO+H=C6H5CH2J+CO +4.400E+12 +0.000 +1459.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CHCO+O=C6H5CHO+CO +3.200E+12 +0.000 -437.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ(+M)=C6H5CH2J+C2H5(+M) +2.304E+22 -1.586 +77244.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 9.9950E+074 -17.210 5.9050E+04 /
+ TROE / 8.6645E-05 2.1360E+02 2.1360E+02 3.5653E+03 /
+PBZ(+M)=C6H5C2H4P+CH3(+M) +7.060E+20 -1.268 +89013.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 3.6320E+047 -9.310 6.8670E+04 /
+ TROE / 7.9892E-02 4.4217E+02 1.5453E+10 2.7729E+03 /
+PBZ(+M)=C6H5+NC3H7(+M) +1.256E+22 -1.318 +102320.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 6.7090E+041 -7.340 8.4810E+04 /
+ TROE / 2.5666E-01 5.4281E+02 3.9319E+12 3.2173E+03 /
+PBZ=PBZJA+H +9.000E+15 +0.000 +100210.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ=PBZJB+H +6.000E+15 +0.000 +99110.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ=PBZJC+H +6.000E+15 +0.000 +86210.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+O2=PBZJA+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O2=PBZJB+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O2=PBZJC+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+H=NC3H7+C6H6 +2.400E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+H=PBZJA+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+H=PBZJB+H2 +1.300E+06 +2.400 +4470.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+H=PBZJC+H2 +3.376E+05 +2.360 +207.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O=PBZJA+OH +9.800E+05 +2.430 +4750.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O=PBZJB+OH +5.510E+05 +2.450 +2830.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+O=PBZJC+OH +6.600E+05 +2.430 +1210.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+OH=PBZJA+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+OH=PBZJB+H2O +4.670E+07 +1.610 -35.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+OH=PBZJC+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+HO2=PBZJA+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+HO2=PBZJB+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+HO2=PBZJC+H2O2 +6.800E+03 +2.550 +10114.0 ! *:_:* AA *:_:* !!WALKER
+PBZ+CH3=PBZJA+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3=PBZJB+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3=PBZJC+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+C2H3=PBZJA+C2H4 +6.000E+02 +3.300 +10502.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H3=PBZJB+C2H4 +1.000E+03 +3.100 +8829.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H3=PBZJC+C2H4 +1.000E+03 +3.100 +8829.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H5=PBZJA+C2H6 +3.160E+11 +0.000 +12300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H5=PBZJB+C2H6 +5.010E+10 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C2H5=PBZJC+C2H6 +5.010E+10 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-A=PBZJA+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-A=PBZJB+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-A=PBZJC+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-T=PBZJA+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-T=PBZJB+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-T=PBZJC+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-S=PBZJA+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-S=PBZJB+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C3H5-S=PBZJC+C3H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5=PBZJA+C6H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5=PBZJB+C6H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5=PBZJC+C6H6 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5CH2J=PBZJA+C6H5CH3 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5CH2J=PBZJB+C6H5CH3 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5CH2J=PBZJC+C6H5CH3 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5C2H4S=PBZJA+C6H5C2H5 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5C2H4S=PBZJB+C6H5C2H5 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+C6H5C2H4S=PBZJC+C6H5C2H5 +7.940E+11 +0.000 +16200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZ+CH3O=PBZJA+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3O=PBZJB+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZ+CH3O=PBZJC+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5CH2J+C2H4=PBZJA +4.000E+11 +0.000 +13050.0 ! *:_:* AA *:_:* BASED ON C2H4+C3H5-A<=>C5H91-5
+C6H5+C3H6=PBZJB +1.700E+04 +2.470 +735.0 ! *:_:* AA *:_:* FROM 2006PAR/NAM8729-8735
+STYR+CH3=PBZJC +6.000E+10 +0.000 +7500.0 ! *:_:* AA *:_:* BASED ON C4H6+CH3 PBZJC=C6H5C2H3+CH3
+CR3+H=PBZJA +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR3+H=PBZJB +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR4+H=PBZJB +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR4+H=PBZJC +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZJB+O=C6H5CH2J+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJB+OH=C6H5CH3+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJB+HO2=>C6H5CH2J+CH3CHO+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJC+O=C6H5CHO+C2H5 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJC+OH=C6H5CHO+C2H6 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZJC+HO2=PBOJ+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* BASED ON C6H5CH2+HO2
+PBOJ=C6H5CHO+C2H5 +1.000E+13 +0.000 +26000.0 ! *:_:* AA *:_:*
+PBOJ=PBO+H +1.000E+14 +0.000 +29100.0 ! *:_:* AA *:_:* REF C3H5O
+C6H5+C2H5CO=PBO +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* ESTIMATED
+PBZJA+O2=PBZAOO +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZJB+O2=PBZBOO +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZJC+O2=PBZCOO +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+PBZAOO=CR3+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=CR3+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=CR4+HO2 +1.000E+10 +0.860 +27600.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323.
+PBZCOO=CR4+HO2 +5.000E+10 +0.760 +27200.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323. /2
+PBZAOO=PBOOHA-B +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZAOO=PBOOHA-C +2.500E+10 +0.000 +18450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=PBOOHB-A +3.000E+11 +0.000 +29000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZBOO=PBOOHB-C +2.000E+11 +0.000 +24450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZCOO=PBOOHC-A +3.750E+10 +0.000 +24000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBZCOO=PBOOHC-B +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR4=PBOOHA-B +2.000E+10 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR4=PBOOHB-A +2.000E+10 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR3=PBOOHC-B +1.000E+11 +0.000 +12000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+HO2+CR3=PBOOHB-C +1.000E+11 +0.000 +11000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+STYR+CH2O2H=PBOOHA-C +8.500E+10 +0.000 +8300.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-A=OH+C2H4+C6H5CHO +3.000E+13 +0.000 +23000.0 ! *:_:* AA *:_:* ESTIMATED BASED ON M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-B=CYC3AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-C=CYCLO4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHB-A=CYC3AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHB-C=CYC3CB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-A=CYCLO4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-B=CYC3CB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+O2=C6H5CCH2+CH2O+HO2 +2.040E+07 +2.000 +40722.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+H=C6H5CCH2+CH2O+H2 +2.570E+07 +2.000 +3950.6 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+OH=C6H5CCH2+CH2O+H2O +4.790E+06 +2.000 -2259.8 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+O=C6H5CCH2+CH2O+OH +1.620E+07 +2.000 +2579.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4+HO2=C6H5CCH2+CH2O+H2O2 +6.460E+05 +2.000 +11887.7 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYCLO4=C2H4+C6H5CHO +1.000E+16 +0.000 +71000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+O2=C6H5C2H2+CH2O+HO2 +2.040E+07 +2.000 +40722.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+H=C6H5C2H2+CH2O+H2 +2.570E+07 +2.000 +3950.6 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+OH=C6H5C2H2+CH2O+H2O +4.790E+06 +2.000 -2259.8 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+O=C6H5C2H2+CH2O+OH +1.620E+07 +2.000 +2579.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3AB+HO2=C6H5C2H2+CH2O+H2O2 +6.460E+05 +2.000 +11887.7 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+O2=C6H5+CH3CHCO+HO2 +2.040E+07 +2.000 +40722.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+H=C6H5+CH3CHCO+H2 +2.570E+07 +2.000 +3950.6 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+OH=C6H5+CH3CHCO+H2O +4.790E+06 +2.000 -2259.8 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+O=C6H5+CH3CHCO+OH +1.620E+07 +2.000 +2579.5 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CYC3CB+HO2=C6H5+CH3CHCO+H2O2 +6.460E+05 +2.000 +11887.7 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-B+O2=PBOOHAOOB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHA-C+O2=PBOOHAOOC +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+PBOOHB-A+O2=PBOOHBOOA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHB-C+O2=PBOOHBOOC +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+PBOOHC-A+O2=PBOOHCOOA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHC-B+O2=PBOOHCOOB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBENOOH=OH+CH2O+C6H5C2H2 +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHAOOB=PBKETAB+OH +2.000E+11 +0.000 +26000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHAOOC=PBKETAC+OH +2.500E+10 +0.000 +21000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHBOOA=PBKETBA+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHBOOC=PBKETBC+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHCOOA=PBKETCA+OH +6.250E+09 +0.000 +16450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHCOOB=PBKETCB+OH +1.000E+11 +0.000 +24450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBOOHAOOC=C6H5CHO+OH+C2H3OOH +5.000E+10 +0.000 +20450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETAB=OH+HCOHCO+C6H5CH2J +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETAC=OH+C6H5CHO+CH2CHO +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETBA=OH+CO+CH2O+C6H5CH2J +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETBC=OH+C6H5CHO+CH3CO +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETCA=OH+CH2O+CH2CO+C6H5 +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+PBKETCB=OH+CH3CHO+C6H5CJO +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CR3=C6H5CH2J+C2H3 +8.000E+15 +0.000 +88500.0 ! *:_:* AA *:_:* +!
+C6H5C3H4+H=CR3 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+CR3+H=C6H5C3H4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* AA *:_:*
+CR3+O=C6H5C3H4+OH +6.600E+05 +2.430 +1210.0 ! *:_:* AA *:_:*
+CR3+OH=C6H5C3H4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* AA *:_:*
+CR3+HO2=C6H5C3H4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:*
+CR3+O2=C6H5C3H4+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* AA *:_:*
+CR3+CH3=C6H5C3H4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* AA *:_:*
+CR3+C6H5=C6H5C3H4+C6H6 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+C6H5CH2J=C6H5C3H4+C6H5CH3 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+C6H5C2H4P=C6H5C3H4+C6H5C2H5 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+H=C6H6+C3H5-A +5.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+HO2=>C6H5C2H4P+HCO+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+HO2=>C6H5CH2CO+CH3+OH +2.500E+12 +1.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+O=STYR+CH2O +7.020E+07 +1.570 -1628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+O=C6H5CHO+C2H4 +4.689E+07 +1.570 -1628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+OH=>C6H5C2H4P+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR3+OH=>C6H5CH2HCO+CH3 +1.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4=C6H5C2H2+CH3 +3.000E+17 +0.000 +99000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4=C6H5+C3H5-S +8.000E+15 +0.000 +163800.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+H=CR4 +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+CR4+H=C6H5C3H4+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* AA *:_:*
+CR4+O=C6H5C3H4+OH +4.410E+05 +2.420 +3150.0 ! *:_:* AA *:_:*
+CR4+OH=C6H5C3H4+H2O +3.120E+06 +2.000 -1298.0 ! *:_:* AA *:_:*
+CR4+HO2=C6H5C3H4+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* AA *:_:*
+CR4+O2=C6H5C3H4+HO2 +3.300E+12 +0.000 +39900.0 ! *:_:* AA *:_:*
+CR4+CH3=C6H5C3H4+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* AA *:_:*
+CR4+C6H5=C6H5C3H4+C6H6 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+C6H5CH2J=C6H5C3H4+C6H5CH3 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+C6H5C2H4P=C6H5C3H4+C6H5C2H5 +2.800E+12 +0.000 +11220.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+O=C6H5CHO+C2H4 +7.000E+07 +1.570 -628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+O=STYR+CH2O +4.700E+07 +1.570 -628.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=>C6H5CHO+C2H5 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=>C6H5CH2J+CH3CHO +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=CC6H5C3H5OHB +4.750E+12 +0.000 -782.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CR4+OH=BC6H5C3H5OHC +4.750E+12 +0.000 -782.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+HO2=COC6H5C3H4-1+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+HO2=AOC6H5C3H4-2+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+CH3O2=COC6H5C3H4-1+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+CH3O2=AOC6H5C3H4-2+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+C2H5O2=COC6H5C3H4-1+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+C2H5O2=AOC6H5C3H4-2+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+NC3H7O2=COC6H5C3H4-1+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+NC3H7O2=AOC6H5C3H4-2+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+IC3H7O2=COC6H5C3H4-1+IC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+IC3H7O2=AOC6H5C3H4-2+IC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4+O2=C6H5CHO+CH2CHO +1.060E+10 +0.340 +12838.0 ! *:_:* AA *:_:* BOZELLI IDEM C3H5-A
+COC6H5C3H4-1=C6H5CHO+C2H3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+AOC6H5C3H4-2=CH2O+C6H5C2H2 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C3H5OHB+O2=PBZOHBQJC +4.580E+11 +0.000 -378.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C3H5OHC+O2=PBZOHCQJB +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C3H5OHA+O2=PBZOHAQJB +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+AC6H5C3H5OHB+O2=PBZOHBQJA +2.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHBQJC=C6H5CHO+CH3CHO+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHCQJB=C6H5CHO+CH3CHO+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHAQJB=C6H5CH2HCO+CH2O+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+PBZOHBQJA=C6H5CH2HCO+CH2O+OH +1.000E+16 +0.000 +25000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+O2=>C6H5C2H4CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+HO2=>C6H5C2H4CO+H2O2 +1.700E+12 +0.000 +10700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+OH=>C6H5C2H4CO+H2O +2.350E+10 +0.730 -1113.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+O=>C6H5C2H4CO+OH +5.850E+12 +0.000 +1808.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+H=>C6H5C2H4CO+H2 +5.540E+02 +3.500 +5167.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO+CH3=>C6H5C2H4CO+CH4 +2.250E+00 +4.000 +8285.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4HCO=>C6H5C2H4P+HCO +5.000E+16 +0.000 +72250.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4CO=C6H5C2H4P+CO +8.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C2H4CO+HO2=>C6H5C2H4P+CO2+OH +2.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2COCH2=C6H5CH2J+CH2CO +4.000E+13 +0.000 +13500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2COCH2+O2=C6H5CH2COCH2O2 +9.000E+18 -2.500 +0.0 ! *:_:* AA *:_:* BUDA ET AL., COMBUST FLAME, 142 (2005) 170-186 (KS)
+C6H5CH2COCH2O2+HO2=C6H5CH2COCH2O2H+O2 +2.290E+11 +0.000 -1790.0 ! *:_:* AA *:_:* ATKINSON ET AL., 2001
+C6H5CH2COCH2O2H=C6H5CH2COCH2O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CO+CH2O=C6H5CH2COCH2O +1.500E+11 +0.000 +11900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H4=C6H5CJO+C2H4 +4.000E+13 +0.000 +27870.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H4+O2=C6H5COC2H3+HO2 +5.000E+12 +0.000 +5000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H4+O2=C6H5COCH2CH2O2 +9.000E+18 -2.500 +0.0 ! *:_:* AA *:_:* BUDA ET AL., COMBUST FLAME, 142 (2005) 170-186 (KS)
+C6H5COCH2CH2O2+HO2=C6H5COCH2CH2O2H+O2 +2.290E+11 +0.000 -1790.0 ! *:_:* AA *:_:* ATKINSON ET AL., 2001
+C6H5COCH2CH2O2H=C6H5COCH2CH2O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COCH2+CH2O=C6H5COCH2CH2O +1.500E+11 +0.000 +11900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H3=>C6H5CJO+C2H3 +1.219E+23 -1.990 +83950.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5COC2H3=>C6H5+C2H3CO +1.219E+23 -1.990 +83950.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CHCO+OH=C6H5C2H4P+CO2 +3.730E+12 +0.000 -1010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CHCO+H=C6H5C2H4P+CO +4.400E+12 +0.000 +1459.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5CH2CHCO+O=C6H5CH2HCO+CO +3.200E+12 +0.000 -437.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H9(+M)=PBZJA+CH3(+M) +3.293E+21 -1.593 +88922.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 1.5950E+034 -5.630 5.4290E+04 /
+ TROE / 2.4108E-02 3.5084E+02 1.1934E+13 2.3171E+03 /
+C6H5C4H9(+M)=C6H5CH2J+NC3H7(+M) +2.304E+22 -1.586 +77244.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 2.308E+075 -17.230 5.9090E+04 /
+ TROE / 3.0457E-03 1.6198E+02 1.7113E+02 3.4175E+03 /
+C6H5C4H9(+M)=PC4H9+C6H5(+M) +2.543E+20 -1.239 +102520.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 1.2680E+020 -1.520 6.7180E+04 /
+ TROE / 1.8958E-01 4.4279E+02 1.5466E+10 2.7342E+03 /
+C6H5C4H9(+M)=C6H5C2H4P+C2H5(+M) +1.144E+24 -2.218 +87260.0 ! *:_:* AA *:_:* D. DARCY, C. J. TOBIN, K. YASUNAGA, J. M. SIMMIE, J. WURMEL, T. NIASS, O. MATHIEU, S. S. AHMED, C. K. WESTBROOK, H. J. CURRAN, COMBUST. FLAME 159 (2012) 2219--2232.
+ LOW / 3.6430E+038 -6.790 5.2480E+04 /
+ TROE / 3.0486E-03 3.3769E+02 7.7939E+12 2.2580E+03 /
+C6H5C4H9=AC6H5C4H8+H +1.760E+17 -0.360 +101200.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9=BC6H5C4H8+H +2.610E+18 -0.700 +98686.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9=CC6H5C4H8+H +2.610E+18 -0.700 +98686.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9=DC6H5C4H8+H +1.680E+14 +0.170 +86365.0 ! *:_:* AA *:_:* ESTIMATED FRON REVERSE CONSTANT KREV=1E+14, WESTBROOK ET AL 2009 COMB. FLAME VOL. 156 PP. 181-199
+C6H5C4H9+O2=DC6H5C4H8+HO2 +2.000E+12 +0.000 +38700.0 ! *:_:* AA *:_:* 1994BAU/COB847-1033 -1000
+C6H5C4H9+O2=CC6H5C4H8+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O2=BC6H5C4H8+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O2=AC6H5C4H8+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=C6H6+PC4H9 +9.600E+13 +0.000 +5123.0 ! *:_:* AA *:_:* ROBAUGH AND TSANG 1986 J. PHYS. CHEM. VOL. 90 PP.4159-4163 ; MULTIPLIED BY 4
+C6H5C4H9+OH=C6H5OH+PC4H9 +7.830E+02 +2.880 +3221.0 ! *:_:* AA *:_:* IDEM TOLUENE SETA 2006 J.PHYS.CHEM.A VOL.110 P.5081
+C6H5C4H9+OH=DC6H5C4H8+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+OH=BC6H5C4H8+H2O +4.670E+07 +1.610 -35.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+OH=CC6H5C4H8+H2O +4.670E+07 +1.610 -35.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+OH=AC6H5C4H8+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=AC6H5C4H8+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=BC6H5C4H8+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=CC6H5C4H8+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+HO2=DC6H5C4H8+H2O2 +6.800E+03 +2.550 +10110.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=AC6H5C4H8+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=BC6H5C4H8+H2 +1.300E+06 +2.400 +4470.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=CC6H5C4H8+H2 +1.300E+06 +2.400 +4470.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+H=DC6H5C4H8+H2 +3.376E+05 +2.360 +207.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=DC6H5C4H8+OH +6.600E+05 +2.430 +1210.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=CC6H5C4H8+OH +5.510E+05 +2.450 +2830.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=BC6H5C4H8+OH +5.510E+05 +2.450 +2830.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+O=AC6H5C4H8+OH +9.800E+05 +2.430 +4750.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=AC6H5C4H8+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=BC6H5C4H8+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=CC6H5C4H8+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3=DC6H5C4H8+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5=DC6H5C4H8+C2H6 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H5=CC6H5C4H8+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H5=BC6H5C4H8+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H5=AC6H5C4H8+C2H6 +1.580E+11 +0.000 +12300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=DC6H5C4H8+C2H4 +2.600E+12 +0.000 +6012.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=CC6H5C4H8+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=BC6H5C4H8+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C2H3=AC6H5C4H8+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=DC6H5C4H8+C3H8 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=CC6H5C4H8+C3H8 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=BC6H5C4H8+C3H8 +1.000E+11 +0.000 +10400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+NC3H7=AC6H5C4H8+C3H8 +1.580E+11 +0.000 +12300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=DC6H5C4H8+C3H6 +2.800E+12 +0.000 +11219.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=CC6H5C4H8+C3H6 +3.160E+11 +0.000 +16400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=BC6H5C4H8+C3H6 +3.160E+11 +0.000 +16400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C3H5-A=AC6H5C4H8+C3H6 +7.940E+11 +0.000 +20500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+CH3O=DC6H5C4H8+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O=CC6H5C4H8+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O=BC6H5C4H8+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O=AC6H5C4H8+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=DC6H5C4H8+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=CC6H5C4H8+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=BC6H5C4H8+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+CH3O2=AC6H5C4H8+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=DC6H5C4H8+C2H5O2H +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=CC6H5C4H8+C2H5O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=BC6H5C4H8+C2H5O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+C2H5O2=AC6H5C4H8+C2H5O2H +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=DC6H5C4H8+NC3H7O2H +4.820E+03 +2.550 +10530.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=CC6H5C4H8+NC3H7O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=BC6H5C4H8+NC3H7O2H +2.037E+01 +3.580 +14810.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H9+NC3H7O2=AC6H5C4H8+NC3H7O2H +1.386E+00 +3.970 +18280.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C3H6+C6H5CH2J=BC6H5C4H8 +4.000E+11 +0.000 +16900.0 ! *:_:* AA *:_:* !!!!BASED ON C3H5-A+C3H6=C6H111-5 8.500E+10 0.00 7800.0 !
+C6H5C2H4P+C2H4=AC6H5C4H8 +6.600E+03 +2.480 +6130.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+STYR+C2H5=DC6H5C4H8 +4.250E+10 +0.000 +8300.0 ! *:_:* AA *:_:* !MM BASED ON C2H5+C4H6=C6H111-3 !! 2.000E+13 0.00 33385.0 ! ESTIMATIONDEAN
+CH3+CR3=CC6H5C4H8 +1.760E+04 +2.480 +6130.0 ! *:_:* AA *:_:* !MM BASED ON CH3+C3H6
+C6H5+C4H8-1=CC6H5C4H8 +1.700E+04 +2.470 +735.0 ! *:_:* AA *:_:* !MM LIKE NPZ!! 2.000E+13 0.00 35900.0 ! ESTIMATIONDEAN
+C6H5C4H7-3+H=DC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-3+H=CC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-2+H=CC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-2+H=BC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-1+H=BC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H7-1+H=AC6H5C4H8 +2.500E+11 +0.500 +2620.0 ! *:_:* AA *:_:*
+C6H5C4H8QJD=C6H5C4H7-3+HO2 +5.000E+10 +0.760 +27200.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323. /2
+C6H5C4H8QJC=C6H5C4H7-3+HO2 +1.000E+10 +0.860 +27600.0 ! *:_:* AA *:_:* M. ALTARAWNEH, B. Z. DLUGOGORSKI, E. M. KENNEDY, J. C. MACKIE, PROC. COMBUST. INST 34 (2013) 315--323.
+C6H5C4H8QJC=C6H5C4H7-2+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=C6H5C4H7-2+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=C6H5C4H7-1+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.!
+C6H5C4H8QJB=C6H5C4H7-1+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+O=C6H5CHO+NC3H7 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H8+OH=C6H5CHO+C3H8 +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H8+O=C6H5CH2J+C2H5CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+CC6H5C4H8+OH=C6H5CH3+C2H5CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+BC6H5C4H8+O=C6H5C2H4P+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+BC6H5C4H8+OH=C6H5C2H5+CH3CHO +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+AC6H5C4H8+O=CH2O+PBZJA +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+AC6H5C4H8+OH=PBZ+CH2O +1.600E+13 +0.000 +0.0 ! *:_:* AA *:_:*
+AC6H5C4H8=DC6H5C4H8 +1.000E+12 +0.000 +29800.0 ! *:_:* AA *:_:* !MM BASED ON 1995HAN/WAL1431-1438 C6H111-6=C6H111-3
+AC6H5C4H8+O2=C6H5C4H8QJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+O2=C6H5C4H8QJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+O2=C6H5C4H8QJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+O2=C6H5C4H8QJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+DC6H5C4H8+HO2=C6H5C4H8OJD+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* BASED ON C6H5CH2+HO2
+CC6H5C4H8+HO2=C6H5C4H8OJC+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+HO2=C6H5C4H8OJB+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+HO2=C6H5C4H8OJA+OH +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+CH3O2=C6H5C4H8OJD+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+CH3O2=C6H5C4H8OJC+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+CH3O2=C6H5C4H8OJB+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+CH3O2=C6H5C4H8OJA+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C2H5O2=C6H5C4H8OJD+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C2H5O2=C6H5C4H8OJC+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C2H5O2=C6H5C4H8OJB+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C2H5O2=C6H5C4H8OJA+C2H5O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+NC3H7O2=C6H5C4H8OJD+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+NC3H7O2=C6H5C4H8OJC+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+NC3H7O2=C6H5C4H8OJB+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+NC3H7O2=C6H5C4H8OJA+NC3H7O +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJD=2C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJD=C6H5C4H8OJC+C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJD=C6H5C4H8OJB+C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJD=C6H5C4H8OJA+C6H5C4H8OJD +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJC=C6H5C4H8OJD+C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJC=2C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJC=C6H5C4H8OJB+C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJC=C6H5C4H8OJA+C6H5C4H8OJC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJB=C6H5C4H8OJD+C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJB=C6H5C4H8OJC+C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJB=2C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJB=C6H5C4H8OJA+C6H5C4H8OJB +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+DC6H5C4H8+C6H5C4H8QJA=C6H5C4H8OJD+C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+CC6H5C4H8+C6H5C4H8QJA=C6H5C4H8OJC+C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H8+C6H5C4H8QJA=C6H5C4H8OJB+C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+AC6H5C4H8+C6H5C4H8QJA=2C6H5C4H8OJA +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8OJD=C6H5CHO+NC3H7 +1.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJC=C6H5CH2J+C2H5CHO +1.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJC=C6H5CH2HCO+C2H5 +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJB=CH3+C6H5C2H4HCO +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJB=CH3CHO+C6H5C2H4P +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 7.940E+14 0.00 15300.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8OJA=CH2O+PBZJA +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* 1.000E+15 0.00 21600.0 ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD=BBZQDRC +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJD=BBZQDRB +2.500E+10 +0.000 +20450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJD=BBZQDRA +9.376E+09 +0.000 +21950.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJC=BBZQCRD +2.000E+11 +0.000 +24450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJC=BBZQCRB +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJC=BBZQCRA +3.750E+10 +0.000 +24000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=BBZQBRD +2.500E+10 +0.000 +18450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=BBZQBRC +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJB=BBZQBRA +3.000E+11 +0.000 +29000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=BBZQARD +3.125E+09 +0.000 +16650.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=BBZQARC +2.500E+10 +0.000 +20450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJA=BBZQARB +2.000E+11 +0.000 +26450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H8QJD+HO2=BBZQD+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+HO2=BBZQC+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+HO2=BBZQB+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+HO2=BBZQA+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+H2=BBZQD+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+H2=BBZQC+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+H2=BBZQB+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+H2=BBZQA+H +3.010E+13 +0.000 +26030.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH2O=BBZQD+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH2O=BBZQC+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH2O=BBZQB+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH2O=BBZQA+HCO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3CHO=BBZQD+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3CHO=BBZQC+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3CHO=BBZQB+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3CHO=BBZQA+CH3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H6=BBZQD+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H6=BBZQC+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H6=BBZQB+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H6=BBZQA+C2H5 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C3H8=BBZQD+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C3H8=BBZQC+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C3H8=BBZQB+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C3H8=BBZQA+IC3H7 +2.000E+12 +0.000 +17000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C3H8=BBZQD+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C3H8=BBZQC+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C3H8=BBZQB+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C3H8=BBZQA+NC3H7 +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H4=BBZQD+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H4=BBZQC+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H4=BBZQB+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H4=BBZQA+C2H3 +1.130E+13 +0.000 +30430.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H5CHO=BBZQD+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H5CHO=BBZQC+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H5CHO=BBZQB+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H5CHO=BBZQA+C2H5CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H3CHO=BBZQD+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H3CHO=BBZQC+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H3CHO=BBZQB+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H3CHO=BBZQA+C2H3CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3OH=BBZQD+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3OH=BBZQC+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3OH=BBZQB+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3OH=BBZQA+CH3O +6.300E+12 +0.000 +19360.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C3H6=BBZQD+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C3H6=BBZQC+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C3H6=BBZQB+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C3H6=BBZQA+C3H5-A +3.240E+11 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH4=BBZQD+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH4=BBZQC+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH4=BBZQB+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH4=BBZQA+CH3 +1.120E+13 +0.000 +24640.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C6H5CHO=BBZQD+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C6H5CHO=BBZQC+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C6H5CHO=BBZQB+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C6H5CHO=BBZQA+C6H5CJO +5.600E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C6H5CH2HCO=BBZQD+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C6H5CH2HCO=BBZQC+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C6H5CH2HCO=BBZQB+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C6H5CH2HCO=BBZQA+C6H5CH2CO +2.800E+12 +0.000 +13600.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C6H5C2H4HCO=BBZQD+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C6H5C2H4HCO=BBZQC+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C6H5C2H4HCO=BBZQB+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C6H5C2H4HCO=BBZQA+C6H5C2H4CO +2.000E+11 +0.000 +9500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=DC6H5C4H8+BBZQC +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=CC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=BC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJD=AC6H5C4H8+BBZQC +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=DC6H5C4H8+BBZQC +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=CC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=BC6H5C4H8+BBZQC +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJC=AC6H5C4H8+BBZQC +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=DC6H5C4H8+BBZQB +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=CC6H5C4H8+BBZQB +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=BC6H5C4H8+BBZQB +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJB=AC6H5C4H8+BBZQB +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=DC6H5C4H8+BBZQA +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=CC6H5C4H8+BBZQA +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=BC6H5C4H8+BBZQA +1.120E+13 +0.000 +17700.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H9+C6H5C4H8QJA=AC6H5C4H8+BBZQA +1.700E+13 +0.000 +20460.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3=C6H5C4H8OJD+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3=C6H5C4H8OJC+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3=C6H5C4H8OJB+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3=C6H5C4H8OJA+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H5=C6H5C4H8OJD+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H5=C6H5C4H8OJC+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H5=C6H5C4H8OJB+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H5=C6H5C4H8OJA+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+NC3H7=C6H5C4H8OJD+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+NC3H7=C6H5C4H8OJC+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+NC3H7=C6H5C4H8OJB+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+NC3H7=C6H5C4H8OJA+NC3H7O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+HO2=C6H5C4H8OJD+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+HO2=C6H5C4H8OJC+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+HO2=C6H5C4H8OJB+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+HO2=C6H5C4H8OJA+OH+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+CH3O2=C6H5C4H8OJD+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+CH3O2=C6H5C4H8OJC+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+CH3O2=C6H5C4H8OJB+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+CH3O2=C6H5C4H8OJA+CH3O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+C2H5O2=C6H5C4H8OJD+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+C2H5O2=C6H5C4H8OJC+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+C2H5O2=C6H5C4H8OJB+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+C2H5O2=C6H5C4H8OJA+C2H5O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJD+NC3H7O2=C6H5C4H8OJD+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJC+NC3H7O2=C6H5C4H8OJC+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJB+NC3H7O2=C6H5C4H8OJB+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+C6H5C4H8QJA+NC3H7O2=C6H5C4H8OJA+NC3H7O+O2 +1.000E+11 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216. ET AL. 2000 PROC. COMB. INST. VOL. 28 PP. 1701-1707
+BBZQD=C6H5C4H8OJD+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQC=C6H5C4H8OJC+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQB=C6H5C4H8OJB+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQA=C6H5C4H8OJA+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-3+HO2=BBZQDRC +4.850E+11 +0.000 +10000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-3+HO2=BBZQCRD +4.850E+11 +0.000 +9000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-2+HO2=BBZQCRB +3.400E+11 +0.000 +11800.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-2+HO2=BBZQBRC +3.400E+11 +0.000 +11800.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-1+HO2=BBZQBRA +5.000E+11 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-1+HO2=BBZQARB +5.000E+11 +0.000 +13700.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H5C4H7-3+OH=BBZOHCRD +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=BBZOHDRC +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=BBZOHBRC +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=BBZOHCRB +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=BBZOHARB +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=BBZOHBRA +2.760E+12 +0.000 -1042.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=C6H5CHO+NC3H7 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=C6H5CH2J+C2H5CHO +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=C6H5C2H4P+CH3CHO +5.200E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=C6H5C2H4HCO+CH3 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=PBZJA+CH2O +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+H=C6H6+C4H71-4 +4.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+H=C6H6+C4H71-3 +4.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+H=C6H6+C4H71-1 +4.800E+13 +0.000 +5123.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+OH=BC6H5C4H6-3+H2O +3.000E+06 +2.000 -1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=BC6H5C4H6-3+H2O +3.000E+06 +2.000 -1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+OH=CC6H5C4H6-1+H2O +3.000E+06 +2.000 -300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=CC6H5C4H6-1+H2O +3.000E+06 +2.000 -1500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+OH=DC6H5C4H6-1+H2O +2.650E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+HO2=BC6H5C4H6-3+H2O2 +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+HO2=BC6H5C4H6-3+H2O2 +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+HO2=CC6H5C4H6-1+H2O2 +3.200E+12 +0.000 +14900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+HO2=DC6H5C4H6-1+H2O2 +2.660E+11 +0.000 +11269.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+C2H5=BC6H5C4H6-3+C2H6 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+C2H5=BC6H5C4H6-3+C2H6 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H5=CC6H5C4H6-1+C2H6 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H5=DC6H5C4H6-1+C2H6 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+NC3H7=BC6H5C4H6-3+C3H8 +1.000E+11 +0.000 +8300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+NC3H7=BC6H5C4H6-3+C3H8 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+NC3H7=CC6H5C4H6-1+C3H8 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+NC3H7=DC6H5C4H6-1+C3H8 +6.720E+10 +0.000 +7214.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+C2H3=BC6H5C4H6-3+C2H4 +1.000E+11 +0.000 +8300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+C2H3=BC6H5C4H6-3+C2H4 +2.600E+12 +0.000 +6012.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H3=CC6H5C4H6-1+C2H4 +1.000E+11 +0.000 +8300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C2H3=DC6H5C4H6-1+C2H4 +2.600E+12 +0.000 +6012.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+C3H5-A=BC6H5C4H6-3+C3H6 +7.900E+10 +0.000 +12400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+C3H5-A=BC6H5C4H6-3+C3H6 +2.800E+12 +0.000 +11219.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C3H5-A=CC6H5C4H6-1+C3H6 +7.900E+10 +0.000 +12400.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+C3H5-A=DC6H5C4H6-1+C3H6 +2.800E+12 +0.000 +11219.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+CH3=BC6H5C4H6-3+CH4 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+CH3=BC6H5C4H6-3+CH4 +1.900E+12 +0.000 +9010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+CH3=CC6H5C4H6-1+CH4 +1.000E+11 +0.000 +7300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+CH3=DC6H5C4H6-1+CH4 +1.900E+12 +0.000 +9010.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+H=BC6H5C4H6-3+H2 +5.000E+13 +0.000 +3900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+H=BC6H5C4H6-3+H2 +2.630E+14 +0.000 +8820.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+H=CC6H5C4H6-1+H2 +5.000E+13 +0.000 +3900.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+H=DC6H5C4H6-1+H2 +2.630E+14 +0.000 +8820.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-3+O=BC6H5C4H6-3+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-2+O=BC6H5C4H6-3+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+O=CC6H5C4H6-1+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7-1+O=DC6H5C4H6-1+OH +4.000E+11 +0.000 -2100.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+OH=>H2O+C6H5CH2J+C2H3CHO +2.400E+06 +2.000 -1192.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+H=>H2+C6H5CH2J+C2H3CHO +4.800E+08 +1.500 +2785.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+HO2=>H2O2+C6H5CH2J+C2H3CHO +4.000E+12 +0.000 +14400.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+OH=>CH2CO+C6H5C2H4P+H2O +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+H=>CH2CO+C6H5C2H4P+H2 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AB+HO2=>CH2CO+C6H5C2H4P+H2O2 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+H=>H2+HCO+CR3 +4.800E+08 +1.500 +2785.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+OH=>H2O+HCO+CR3 +2.400E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+HO2=>H2O2+HCO+CR3 +4.000E+12 +0.000 +14400.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+OH=>H2O+C2H4+C6H5CH2CO +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+H=>H2+C2H4+C6H5CH2CO +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AC+HO2=>H2O2+C2H4+C6H5CH2CO +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+H=>H2+STYR+CH2CHO +4.800E+08 +1.500 +2785.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+OH=>H2O+STYR+CH2CHO +2.400E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+HO2=>H2O2+STYR+CH2CHO +4.000E+12 +0.000 +14400.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+OH=>H2O+C2H4+C6H5COCH2 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+H=>H2+C2H4+C6H5COCH2 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-AD+HO2=>H2O2+C2H4+C6H5COCH2 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+OH=>H2O+C6H5CH2J+CH3CHCO +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+H=>H2+C6H5CH2J+CH3CHCO +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+HO2=>H2O2+C6H5CH2J+CH3CHCO +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+OH=>H2O+C6H5CH2CHCO+CH3 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+H=>H2+C6H5CH2CHCO+CH3 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BC+HO2=>H2O2+C6H5CH2CHCO+CH3 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+OH=>H2O+C6H5CJO+C3H6 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+H=>H2+C6H5CJO+C3H6 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+HO2=>H2O2+C6H5CJO+C3H6 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+OH=>H2O+STYR+CH3CO +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+H=>H2+STYR+CH3CO +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-BD+HO2=>H2O2+STYR+CH3CO +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+OH=>H2O+C6H5COC2H3+CH3 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+H=>H2+C6H5COC2H3+CH3 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+HO2=>H2O2+C6H5COC2H3+CH3 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+OH=>H2O+C6H5CHCO+C2H5 +1.200E+06 +2.000 -1192.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+H=>H2+C6H5CHCO+C2H5 +2.400E+08 +1.500 +2005.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H7O-CD+HO2=>H2O2+C6H5CHCO+C2H5 +2.000E+12 +0.000 +13260.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCRD+O2=BBZOHCQJD +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHDRC+O2=BBZOHDQJC +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCRB+O2=BBZOHCQJB +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBRC+O2=BBZOHBQJC +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBRA+O2=BBZOHBQJA +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHARB+O2=BBZOHAQJB +1.000E+12 +0.000 -1100.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCQJD=>C6H5CHO+C2H5CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHDQJC=>C6H5CHO+C2H5CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHCQJB=>C6H5CH2HCO+CH3CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBQJC=>C6H5CH2HCO+CH3CHO+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHBQJA=>C6H5C2H4HCO+CH2O+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZOHAQJB=>C6H5C2H4HCO+CH2O+OH +1.000E+12 +0.000 +28680.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZQDRC=>C6H5C4H7O-CD+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRB=>C6H5C4H7O-BD+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRA=>C6H5C4H7O-AD+OH +9.375E+09 +0.000 +7000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRD=>C6H5C4H7O-CD+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRB=>C6H5C4H7O-BC+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRA=>C6H5C4H7O-AC+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRD=>C6H5C4H7O-BD+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRC=>C6H5C4H7O-BC+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRA=>C6H5C4H7O-AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARD=>C6H5C4H7O-AD+OH +9.375E+09 +0.000 +7000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARC=>C6H5C4H7O-AC+OH +7.500E+10 +0.000 +15250.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARB=>C6H5C4H7O-AB+OH +6.000E+11 +0.000 +22000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRB=C6H5CHO+C3H6+OH +3.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRA=C6H5CH2HCO+C2H4+OH +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRD=STYR+CH3CHO+OH +1.000E+13 +0.000 +35000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARC=CR3+CH2O+OH +3.000E+13 +0.000 +30000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRC+O2=BBZQDQJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRB+O2=BBZQDQJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDRA+O2=BBZQDQJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRD+O2=BBZQCQJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+BBZQCRB+O2=BBZQCQJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCRA+O2=BBZQCQJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRD+O2=BBZQBQJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+BBZQBRC+O2=BBZQBQJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBRA+O2=BBZQBQJA +4.520E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARD+O2=BBZQAQJD +6.000E+11 +0.000 +3000.0 ! *:_:* AA *:_:* Y. MURAKAMI, T. OGUCHI, K. HASHIMOTO, Y. NOSAKA, J. PHYS. CHEM. A 113 (2009) 10652--10666.
+BBZQARC+O2=BBZQAQJC +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQARB+O2=BBZQAQJB +7.540E+12 +0.000 +0.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDQJC=BBZODQC+OH +1.000E+11 +0.000 +22450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDQJB=BBZODQB+OH +1.250E+10 +0.000 +17450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQDQJA=BBZODQA+OH +1.563E+09 +0.000 +14650.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCQJD=BBZOCQD+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCQJB=BBZOCQB+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQCQJA=BBZOCQA+OH +1.250E+10 +0.000 +17450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBQJD=BBZOBQD+OH +1.250E+10 +0.000 +17450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBQJC=BBZOBQC+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQBQJA=BBZOBQA+OH +1.000E+11 +0.000 +23450.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQAQJD=BBZOAQD+OH +3.120E+09 +0.000 +22150.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQAQJC=BBZOAQC+OH +2.500E+10 +0.000 +21000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZQAQJB=BBZOAQB+OH +2.000E+11 +0.000 +26150.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BC6H5C4H6-3+HO2=BBZE3OJB+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+HO2=BBZE1OJC+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+HO2=BBZE1OJD+OH +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3+C2H5O2=BBZE3OJB+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+C2H5O2=BBZE1OJC+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+C2H5O2=BBZE1OJD+C2H5O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3+CH3O2=BBZE3OJB+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+CH3O2=BBZE1OJC+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+CH3O2=BBZE1OJD+CH3O +1.900E+12 +0.000 -1200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3+O2=C6H5C4H5+HO2 +6.900E+11 +0.000 +15200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1+O2=C6H5C4H5+HO2 +7.900E+11 +0.000 +15200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1+O2=C6H5C4H5+HO2 +7.900E+11 +0.000 +15200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1=STYR+C2H3 +2.000E+13 +0.000 +44200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BC6H5C4H6-3=C6H5C4H5+H +3.000E+13 +0.000 +51500.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1=C6H5+C4H6 +2.000E+13 +0.000 +44200.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+DC6H5C4H6-1=C6H5C4H5+H +3.000E+13 +0.000 +43300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CC6H5C4H6-1=C6H5C4H5+H +3.000E+13 +0.000 +43300.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H5+OH=C6H5CHO+C3H5-A +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H5+OH=C6H5CH2J+C2H3CHO +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C4H5+OH=CH2O+C6H5C3H4 +2.600E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE3OJB=C6H5C2H2+CH3CHO +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE3OJB=C6H5C2H2HCO+CH3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE1OJC=C6H5CH2HCO+C2H3 +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE1OJC=C6H5CH2J+C2H3CHO +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZE1OJD=C6H5CHO+C3H5-A +7.940E+14 +0.000 +19000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+BBZODQC=>C6H5CJO+C2H5CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZODQB=>C6H5COCH2+CH3CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZODQA=>C6H5COC2H4+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOCQD=>C6H5CHO+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOCQB=>C6H5CH2CO+CH3CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOCQA=>C6H5CH2COCH2+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOBQD=>C6H5CHO+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOBQC=>C6H5CH2HCO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOBQA=>C6H5C2H4CO+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOAQD=>C6H5CHO+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOAQC=>C6H5CH2HCO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+BBZOAQB=>C6H5C2H4HCO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* AA *:_:* M. MEHL, W. J. PITZ, C. K. WESTBROOK, K. YASUNAGA, C. CONROY, H. J. CURRAN, PROC. COMB. INST. 33 (2011) 201--208.
+C6H4C2H3+C2H2=A1C2H3AC +5.000E+12 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H5C3H4=IND+H +1.000E+13 +0.000 +32700.0 ! *:_:* AA *:_:* MM FROM 2001LIN/MAU409-432
+C6H5CH2J+C2H2=IND+H +3.200E+11 +0.000 +7000.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C6H4C2H3+CH3=IND+2H +5.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+CH3C6H4C2H3+OH=IND+H+H2O +1.260E+13 +0.000 +2583.0 ! *:_:* AA *:_:* MARINOV 1996
+CH3C6H4C2H3+H=IND+H+H2 +3.980E+02 +3.440 +3120.0 ! *:_:* AA *:_:* MARINOV 1996
+IND+H=INDENYL+H2 +4.380E+08 +1.770 +2999.5 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+O=INDENYL+OH +1.810E+13 +0.000 +3080.8 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+OH=INDENYL+H2O +6.860E+09 +1.180 -446.9 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+HO2=INDENYL+H2O2 +1.990E+12 +0.000 +11658.7 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+O2=INDENYL+HO2 +2.000E+13 +0.000 +25000.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+IND+O2=INDENOXY+OH +1.000E+13 +0.000 +20712.2 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+O=C6H5C2H2+CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+INDENYL+HO2=C6H5C2H2+CO+OH +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* MARINOV 1996
+INDENYL+CY13PD5J=PHENA+2H +1.000E+13 +0.000 +4000.0 ! *:_:* AA *:_:* MARINOV 1996
+INDENYL+CO=>A2O +9.500E+03 +1.400 +26555.9 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+H=IND +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+O=C6H5CCH2+CO +1.000E+14 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+O=INDENOXY +1.000E+13 +0.000 +0.0 ! *:_:* AA *:_:* P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENYL+HO2=INDENOXY+OH +1.500E+13 +0.000 +0.0 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+INDENOXY=C6H5CCH2+CO +2.510E+11 +0.000 +43900.6 ! *:_:* AA *:_:* ! P. DIEVART, P. DAGAUT, PROC. COMBUST. INST. 33 (2011) 209--216.
+C2H3+O2=HCOHCO+H +7.780E+20 -2.940 +5541.0 ! *:_:* AA *:_:* 10 ATM/BOZELLI&DEAN 1993, J. PHYS.CHEM,VOL.97,PP.4427-4441
+C2H3+O2=C2H2+HO2 +3.250E+19 -2.260 +7932.0 ! *:_:* AA *:_:* 10 ATM/BOZELLI&DEAN 1993, J. PHYS.CHEM,VOL.97,PP.4427-4441
+C4H5+C2H2=C6H6+H +8.250E+24 -3.760 +26565.0 ! *:_:* AA *:_:* 10ATM/SENOSIAIN&MILLER, J.PHYS.CHEM.A, 2007, PP. 3740-3747
+C4H5+C2H2=FULVENE+H +9.738E+26 -3.760 +21329.0 ! *:_:* AA *:_:* 10ATM/SENOSIAIN&MILLER, J.PHYS.CHEM.A, 2007, PP. 3740-3747
+OCHO+M=H+CO2+M +5.318E+14 -0.353 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+13 0.000 2.900E+04 /
+HOCHO=HCO+OH +3.471E+22 -1.542 +110700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+CH3+OH=CH2+H2O +5.600E+07 +1.600 +5420.0 ! *:_:* LLNL *:_:*
+ REV/ 9.224E+05 2.072 1.406E+04 /
+CH2(S)=CH2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.488E+12 -0.013 9.020E+03 /
+CH2(S)+CH4=2CH3 +1.600E+13 +0.000 -570.0 ! *:_:* LLNL *:_:*
+ REV/ 5.067E+12 -0.145 1.316E+04 /
+CH2(S)+H=CH2+H +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.346E+13 -0.013 9.020E+03 /
+CH2(S)+O=CO+2H +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2+O2=CH2O+O +2.400E+12 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.955E+14 -0.365 6.098E+04 /
+CH2+O2=CO+OH+H +5.000E+12 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3CHO=CH3+HCO +7.687E+20 -1.342 +86950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+13 0.000 0.000E+00 /
+CH2CHO=CH2CO+H +4.071E+15 -0.342 +50600.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+13 0.000 1.230E+04 /
+C2H4(+M)=C2H2+H2(+M) +8.000E+12 +0.440 +88770.0 ! *:_:* LLNL *:_:*
+ LOW / 1.5800E+51 -9.3000E+00 9.7800E+04 /
+ TROE / 7.3500E-01 1.8000E+02 1.0350E+03 5.4170E+03 /
+ H2/2/ H2O/6/ AR/.7/ CO/1.5/ CO2/2/ CH4/2/ C2H6/3/ HE/.7/
+C2H2+O2=HCCO+OH +2.000E+08 +1.500 +30100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.039E+06 1.541 3.227E+04 /
+O+C2H2=C2H+OH +4.600E+19 -1.400 +28950.0 ! *:_:* LLNL *:_:*
+ REV/ 3.023E+15 -0.604 -1.782E+03 /
+C2H5OH(+M)=CH2OH+CH3(+M) +2.000E+23 -1.680 +96400.0 ! *:_:* LLNL *:_:*
+ LOW / 3.1100E+85 -1.8840E+01 1.1310E+05 /
+ TROE / 5.0000E-01 5.5000E+02 8.2500E+02 6.1000E+03 /
+ H2/2/ H2O/5/ CO/2/ CO2/3/
+C2H5OH(+M)=C2H5+OH(+M) +2.400E+23 -1.620 +99540.0 ! *:_:* LLNL *:_:*
+ LOW / 5.1100E+85 -1.8800E+01 1.1877E+05 /
+ TROE / 5.0000E-01 6.5000E+02 8.0000E+02 1.0000E+15 /
+ H2/2/ H2O/5/ CO/2/ CO2/3/
+C2H5OH(+M)=C2H4+H2O(+M) +1.320E+05 +2.520 +60660.0 ! *:_:* LLNL *:_:*
+ LOW / 3.0900E+55 -1.0920E+01 6.2644E+04 /
+ TROE / 8.9700E-01 1.0000E+10 1.0000E+00 5.0000E+09 /
+ H2O/5/
+C2H5OH(+M)=CH3CHO+H2(+M) +7.240E+11 +0.095 +91010.0 ! *:_:* LLNL *:_:*
+ LOW / 4.4600E+87 -1.9420E+01 1.1558E+05 /
+ TROE / 9.0000E-01 9.0000E+02 1.1000E+03 3.5000E+03 /
+ H2O/5/
+SC2H4OH+M=CH3CHO+H+M +1.000E+14 +0.000 +25000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.742E+12 0.462 -4.700E+02 /
+CH3COCH3(+M)=CH3CO+CH3(+M) +7.108E+21 -1.570 +84680.0 ! *:_:* LLNL *:_:*
+ LOW / 7.0130E+89 -2.0380E+01 1.0715E+05 /
+ TROE / 8.6300E-01 1.0000E+10 4.1640E+02 3.2900E+09 /
+CH3COCH3+CH3COCH2O2=CH3COCH2+CH3COCH2O2H +1.000E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.995E+10 0.000 1.000E+04 /
+CH2O+CH3COCH2O2=HCO+CH3COCH2O2H +1.288E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.512E+10 0.000 1.010E+04 /
+HO2+CH3COCH2O2=CH3COCH2O2H+O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3COCH2O2H=CH3COCH2O+OH +1.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.0E15 -0.8 0.0 /
+CH3COCH2O=CH3CO+CH2O +3.732E+20 -2.176 +17260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+C3H6=C2H3+CH3 +2.730E+62 -13.280 +123200.0 ! *:_:* LLNL *:_:*
+ REV/ 6.822E+53 -11.779 2.055E+04 /
+C3H6=C3H5-A+H +2.010E+61 -13.260 +118500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.041E+61 -13.520 3.061E+04 /
+C3H5-A+O2=CH2CHO+CH2O +7.140E+15 -1.210 +21050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.944E+16 -1.400 8.862E+04 /
+C3H5-A+O2=C2H2+CH2O+OH +9.720E+29 -5.710 +21450.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C3H4-A+M=C3H3+H+M +1.143E+17 +0.000 +70000.0 ! *:_:* LLNL *:_:*
+ REV / 2.0E17 0.0 -1000.0 /
+C3H4-P+M=C3H3+H+M +1.143E+17 +0.000 +70000.0 ! *:_:* LLNL *:_:*
+ REV / 2.0E17 0.0 -1000.0 /
+C3H4-P+O2=HCCO+OH+CH2 +1.000E+07 +1.500 +30100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C3H4-P+O=>HCCO+CH2+H +3.200E-19 +0.000 +2010.0 ! *:_:* LLNL *:_:*
+C3H2+O2=HCO+HCCO +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.326E+14 -0.214 7.719E+04 /
+C3H2+OH=C2H2+HCO +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.282E+16 -0.254 7.502E+04 /
+C3H2+O2=HCCO+CO+H +5.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C4H8-1=C3H5-A+CH3 +5.081E+19 -1.256 +76510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.350E+13 0.000 0.000E+00 /
+C4H8-1+H=C4H71-1+H2 +7.810E+05 +2.500 +12290.0 ! *:_:* LLNL *:_:*
+ REV/ 2.213E+05 2.360 6.469E+03 /
+C4H8-1+H=C4H71-2+H2 +3.900E+05 +2.500 +5821.0 ! *:_:* LLNL *:_:*
+ REV/ 2.558E+04 2.550 2.125E+03 /
+C4H6+OH=C2H5+CH2CO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.730E+12 0.000 3.002E+04 /
+C4H6+OH=CH2O+C3H5-A +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.501E+06 0.000 7.106E+04 /
+C4H6+OH=C2H3+CH3CHO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.437E+11 0.000 1.855E+04 /
+C4H6+O=C2H4+CH2CO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.377E+11 0.000 9.434E+04 /
+C4H6+O=CH2O+C3H4-A +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.075E+12 0.000 7.905E+04 /
+PC4H9O2+HO2=>PC4H9O+OH+O2 +1.400E-14 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+SC4H9O2+HO2=>SC4H9O+OH+O2 +1.400E-14 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+TC3H6CHO+O2=IC3H5CHO+HO2 +2.725E-19 +0.000 +7240.0 ! *:_:* LLNL *:_:*
+ REV/ 1.390E+11 -0.200 1.731E+04 /
+TC3H6CHO+O2=CH3COCH3+CO+OH +3.620E-20 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5H12=IC3H7+C2H5 +5.854E+25 -2.642 +87960.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC5H12=SC4H9+CH3 +2.686E+24 -2.259 +88980.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC5H12=IC4H9+CH3 +1.457E+22 -1.798 +89350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC5H12=AC5H11+H +6.764E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12=BC5H11+H +5.921E+18 -0.896 +96900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12=CC5H11+H +9.877E+17 -0.697 +98700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12=DC5H11+H +6.764E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC5H12+H=AC5H11+H2 +1.207E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 2.575E+02 3.174 9.091E+03 /
+IC5H12+H=BC5H11+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 1.467E+00 3.572 9.246E+03 /
+IC5H12+H=CC5H11+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.899E+01 3.373 9.327E+03 /
+IC5H12+H=DC5H11+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.005E+01 3.384 8.615E+03 /
+IC5H12+O=AC5H11+OH +2.697E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 2.986E+03 2.649 6.059E+03 /
+IC5H12+O=BC5H11+OH +3.968E+05 +2.401 +1150.0 ! *:_:* LLNL *:_:*
+ REV/ 5.019E-01 3.554 6.401E+03 /
+IC5H12+O=CC5H11+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.509E+00 3.393 6.290E+03 /
+IC5H12+O=DC5H11+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.158E+02 3.039 5.689E+03 /
+IC5H12+OH=AC5H11+H2O +1.054E+10 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.384E+07 1.498 1.882E+04 /
+IC5H12+OH=BC5H11+H2O +5.730E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.480E+06 1.576 2.162E+04 /
+IC5H12+OH=CC5H11+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 7.248E+03 2.477 1.971E+04 /
+IC5H12+OH=DC5H11+H2O +5.240E+09 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.185E+07 1.498 1.882E+04 /
+IC5H12+CH3=AC5H11+CH4 +9.067E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.764E-01 3.838 1.103E+04 /
+IC5H12+CH3=BC5H11+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 1.336E-12 7.086 9.096E+03 /
+IC5H12+CH3=CC5H11+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.119E+03 2.660 1.397E+04 /
+IC5H12+CH3=DC5H11+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.796E-02 3.838 1.103E+04 /
+IC5H12+HO2=AC5H11+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 5.035E+00 3.529 3.495E+03 /
+IC5H12+HO2=BC5H11+H2O2 +6.504E+02 +3.010 +12090.0 ! *:_:* LLNL *:_:*
+ REV/ 9.170E-01 3.487 2.756E+03 /
+IC5H12+HO2=CC5H11+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 5.341E-01 3.648 2.574E+03 /
+IC5H12+HO2=DC5H11+H2O2 +2.040E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.518E+00 3.529 3.495E+03 /
+IC5H12+CH3O2=AC5H11+CH3O2H +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 9.796E+01 3.084 1.900E+03 /
+IC5H12+CH3O2=BC5H11+CH3O2H +6.504E+02 +3.010 +12090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.784E+01 3.042 1.161E+03 /
+IC5H12+CH3O2=CC5H11+CH3O2H +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.039E+01 3.203 9.790E+02 /
+IC5H12+CH3O2=DC5H11+CH3O2H +2.040E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 4.898E+01 3.084 1.900E+03 /
+IC5H12+CH3O=AC5H11+CH3OH +3.200E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC5H12+CH3O=BC5H11+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+IC5H12+CH3O=CC5H11+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.000 7.200E+03 /
+IC5H12+CH3O=DC5H11+CH3OH +1.580E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC5H12+O2=AC5H11+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 4.698E+10 0.286 4.510E+02 /
+IC5H12+O2=BC5H11+HO2 +7.000E+12 +0.000 +48000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.945E+07 0.824 -2.100E+01 /
+IC5H12+O2=CC5H11+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.072E+09 0.625 3.220E+02 /
+IC5H12+O2=DC5H11+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.349E+10 0.286 4.510E+02 /
+IC5H12+C2H5=AC5H11+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC5H12+C2H5=BC5H11+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+IC5H12+C2H5=CC5H11+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC5H12+C2H5=DC5H11+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.240E+11 0.000 1.230E+04 /
+IC5H12+C2H3=AC5H11+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+IC5H12+C2H3=BC5H11+C2H4 +2.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+12 0.000 2.300E+04 /
+IC5H12+C2H3=CC5H11+C2H4 +3.980E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC5H12+C2H3=DC5H11+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.510E+12 0.000 2.540E+04 /
+IC5H12+AC5H11=BC5H11+IC5H12 +2.500E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC5H12+AC5H11=CC5H11+IC5H12 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC5H12+AC5H11=DC5H11+IC5H12 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC5H12+BC5H11=CC5H11+IC5H12 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC5H12+BC5H11=DC5H11+IC5H12 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC5H12+CC5H11=DC5H11+IC5H12 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+IC5H12+O2CHO=AC5H11+HO2CHO +5.400E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.830E+05 1.938 3.976E+03 /
+IC5H12+O2CHO=BC5H11+HO2CHO +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.215E+03 2.476 3.873E+03 /
+IC5H12+O2CHO=CC5H11+HO2CHO +4.900E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 2.380E+04 2.277 4.669E+03 /
+IC5H12+O2CHO=DC5H11+HO2CHO +2.700E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.915E+05 1.938 3.976E+03 /
+AC5H11=C3H6+C2H5 +2.907E+13 +0.361 +29710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.420E+03 2.670 6.850E+03 /
+AC5H11=C4H8-1+CH3 +4.835E+11 +0.850 +30800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.890E+03 2.670 6.850E+03 /
+AC5H11=AC5H10+H +1.892E+13 +0.194 +34220.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.510 2.620E+03 /
+AC5H11=DC5H11 +3.000E+11 +0.000 +21100.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.110E+04 /
+BC5H11=IC4H8+CH3 +5.272E+10 +1.192 +30220.0 ! *:_:* LLNL *:_:*
+ REV/ 4.400E+04 2.480 6.130E+03 /
+BC5H11=AC5H10+H +3.665E+11 +0.732 +37150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+12 0.510 1.230E+03 /
+BC5H11=BC5H10+H +6.171E+11 +0.487 +35580.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.510 2.620E+03 /
+CC5H11=C4H8-2+CH3 +5.276E+10 +0.935 +30620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.890E+03 2.670 6.850E+03 /
+CC5H11=BC5H10+H +1.480E+12 +0.288 +33780.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+CC5H11=CC5H10+H +6.262E+11 +0.557 +38150.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.510 2.620E+03 /
+DC5H11=C2H4+IC3H7 +1.237E+14 +0.076 +28960.0 ! *:_:* LLNL *:_:*
+ REV/ 8.800E+03 2.480 6.130E+03 /
+DC5H11=CC5H10+H +3.658E+12 +0.218 +35630.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+AC5H11+O2=AC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC5H11+O2=AC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC5H11+O2=BC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC5H11+O2=BC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC5H11+O2=CC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC5H11+O2=CC5H10+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+AC5H11+HO2=AC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.212E+14 -0.472 2.644E+04 /
+BC5H11+HO2=BC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.572E+18 -1.340 2.899E+04 /
+CC5H11+HO2=CC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.977E+17 -1.106 2.843E+04 /
+DC5H11+HO2=DC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.437E+15 -0.472 2.644E+04 /
+AC5H11+CH3O2=AC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.511E+13 -0.173 3.068E+04 /
+BC5H11+CH3O2=BC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.860E+17 -1.041 3.323E+04 /
+CC5H11+CH3O2=CC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.236E+16 -0.807 3.267E+04 /
+DC5H11+CH3O2=DC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.988E+13 -0.173 3.068E+04 /
+AC5H10=IC4H7+CH3 +1.900E+20 -1.582 +75930.0 ! *:_:* LLNL *:_:*
+ REV/ 2.550E+13 -0.320 -1.310E+02 /
+AC5H10=C3H5-T+C2H5 +8.922E+24 -2.409 +100500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+BC5H10=C4H72-2+CH3 +1.217E+23 -1.926 +101400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+BC5H10=IC4H7+CH3 +2.610E+19 -1.017 +79020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+CC5H10=C4H71-3+CH3 +1.302E+21 -1.639 +76140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+AC5H10+OH=SC4H9+CH2O +2.000E+10 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+BC5H10+OH=IC3H7+CH3CHO +2.000E+10 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+CC5H10+OH=IC4H9+CH2O +2.000E+10 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+AC5H10+O=SC4H9+HCO +7.230E+05 +2.340 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+05 2.340 8.030E+04 /
+AC5H10+O=IC3H7+CH3CO +7.230E+05 +2.340 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+05 2.340 8.030E+04 /
+AC5H10+O=IC4H9+HCO +7.230E+05 +2.340 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+05 2.340 8.030E+04 /
+AC5H10+H=AC5H9-A2+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 6.952E+06 1.890 2.010E+04 /
+AC5H10+H=AC5H9-C+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.352E+06 2.100 2.033E+04 /
+AC5H10+H=AC5H9-D+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.040E+04 2.540 1.104E+04 /
+AC5H10+OH=AC5H9-A2+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.428E+08 1.390 3.247E+04 /
+AC5H10+OH=AC5H9-C+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+06 2.380 3.336E+04 /
+AC5H10+OH=AC5H9-D+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.043E+09 0.970 2.102E+04 /
+AC5H10+CH3=AC5H9-A2+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.320E+03 2.890 2.377E+04 /
+AC5H10+CH3=AC5H9-C+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.243E+03 3.050 2.460E+04 /
+AC5H10+CH3=AC5H9-D+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.398E-01 3.650 1.191E+04 /
+AC5H10+HO2=AC5H9-A2+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 9.955E+06 1.660 1.521E+04 /
+AC5H10+HO2=AC5H9-C+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.597E+06 1.960 1.434E+04 /
+AC5H10+HO2=AC5H9-D+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.796E+04 2.220 4.466E+03 /
+AC5H10+CH3O2=AC5H9-A2+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.073E+07 1.490 1.219E+04 /
+AC5H10+CH3O2=AC5H9-C+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.326E+06 1.790 1.132E+04 /
+AC5H10+CH3O2=AC5H9-D+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.822E+04 2.040 1.446E+03 /
+AC5H10+CH3O=AC5H9-A2+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.744E+03 2.370 2.787E+04 /
+AC5H10+CH3O=AC5H9-C+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.486E+02 2.670 2.700E+04 /
+AC5H10+CH3O=AC5H9-D+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.782E+09 0.020 9.008E+03 /
+BC5H10+H=AC5H9-C+H2 +3.460E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 1.274E+07 2.000 1.965E+04 /
+BC5H10+H=CC5H9-B+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 7.021E+06 2.170 2.040E+04 /
+BC5H10+OH=AC5H9-C+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 9.945E+08 1.500 3.202E+04 /
+BC5H10+OH=CC5H9-B+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.482E+08 1.670 3.277E+04 /
+BC5H10+CH3=AC5H9-C+CH4 +4.420E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 4.250E+03 3.000 2.332E+04 /
+BC5H10+CH3=CC5H9-B+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.343E+03 3.170 2.406E+04 /
+BC5H10+HO2=AC5H9-C+H2O2 +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.824E+07 1.770 1.476E+04 /
+BC5H10+HO2=CC5H9-B+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.005E+07 1.940 1.551E+04 /
+BC5H10+CH3O2=AC5H9-C+CH3O2H +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.798E+07 1.590 1.174E+04 /
+BC5H10+CH3O2=CC5H9-B+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.094E+07 1.770 1.249E+04 /
+BC5H10+CH3O=AC5H9-C+CH3OH +1.800E+02 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 3.194E+03 2.470 2.742E+04 /
+BC5H10+CH3O=CC5H9-B+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.761E+03 2.640 2.817E+04 /
+CC5H10+H=CC5H9-A+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.153E+04 2.540 1.103E+04 /
+CC5H10+H=CC5H9-B+H2 +2.650E+06 +2.200 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+07 2.140 2.228E+04 /
+CC5H10+OH=CC5H9-A+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.111E+09 0.970 2.102E+04 /
+CC5H10+OH=CC5H9-B+H2O +6.140E+02 +3.200 -3500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.827E+04 3.140 3.394E+04 /
+CC5H10+CH3=CC5H9-A+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.093E+00 3.650 1.191E+04 /
+CC5H10+CH3=CC5H9-B+CH4 +4.613E+00 +3.100 +2330.0 ! *:_:* LLNL *:_:*
+ REV/ 8.280E+02 3.040 2.509E+04 /
+CC5H10+HO2=CC5H9-A+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.660E+04 2.220 4.461E+03 /
+CC5H10+HO2=CC5H9-B+H2O2 +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 3.196E+05 2.110 1.313E+04 /
+CC5H10+CH3O2=CC5H9-A+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.179E+05 2.040 1.441E+03 /
+CC5H10+CH3O2=CC5H9-B+CH3O2H +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 6.656E+05 1.930 1.011E+04 /
+CC5H10+CH3O=CC5H9-A+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.680E+09 0.020 9.003E+03 /
+CC5H10+CH3O=CC5H9-B+CH3OH +1.000E+01 +2.850 +5231.0 ! *:_:* LLNL *:_:*
+ REV/ 3.313E+01 2.810 2.579E+04 /
+AC5H9-A2+HO2=AC5H9O-A2+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.747E+13 -0.160 1.325E+04 /
+AC5H9-A2+CH3O2=AC5H9O-A2+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.683E+15 -0.740 1.801E+04 /
+AC5H9-A2+C2H5O2=AC5H9O-A2+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.756E+12 0.180 1.586E+04 /
+AC5H9-C+HO2=AC5H9O-C+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.731E+15 -0.960 1.562E+04 /
+AC5H9-C+CH3O2=AC5H9O-C+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.668E+17 -1.530 2.038E+04 /
+AC5H9-C+C2H5O2=AC5H9O-C+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.746E+14 -0.610 1.822E+04 /
+AC5H9-D=AC5H9-A2 +1.113E+12 +0.000 +31700.0 ! *:_:* LLNL *:_:*
+ REV/ 9.785E+14 -0.610 4.503E+04 /
+CC5H9-B+HO2=CC5H9O-B+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.939E+15 -1.020 1.687E+04 /
+CC5H9-B+CH3O2=CC5H9O-B+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.871E+17 -1.590 2.164E+04 /
+CC5H9-B+C2H5O2=CC5H9O-B+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.879E+14 -0.670 1.948E+04 /
+AC5H9O-A2=C4H71-2+CH2O +9.210E+17 -1.430 +30330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC5H9O-C=CH3CHO+C3H5-T +3.231E+22 -2.630 +30310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC5H9O-B=CH3COCH3+C2H3 +7.813E+13 -0.250 +22330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC5H11O2=AC5H11+O2 +4.877E+19 -1.594 +36040.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+BC5H11O2=BC5H11+O2 +3.224E+24 -2.470 +37820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+CC5H11O2=CC5H11+O2 +4.061E+22 -2.215 +38310.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC5H11O2=DC5H11+O2 +1.944E+20 -1.594 +36040.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC5H11O2+IC5H12=AC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+AC5H11 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11O2+IC5H12=AC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+BC5H11 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11O2+IC5H12=AC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+CC5H11 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11O2+IC5H12=AC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC5H11O2+IC5H12=BC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC5H11O2+IC5H12=CC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC5H11O2+IC5H12=DC5H11O2H+DC5H11 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC5H11+AC5H11O2=2AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.519E+13 -0.142 3.016E+04 /
+AC5H11+BC5H11O2=AC5H11O+BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.507E+13 -0.134 3.094E+04 /
+AC5H11+CC5H11O2=AC5H11O+CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.766E+13 -0.155 2.988E+04 /
+AC5H11+DC5H11O2=AC5H11O+DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.518E+13 -0.142 3.016E+04 /
+BC5H11+AC5H11O2=BC5H11O+AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.597E+17 -1.010 3.272E+04 /
+BC5H11+BC5H11O2=2BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.552E+16 -1.002 3.350E+04 /
+BC5H11+CC5H11O2=BC5H11O+CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.753E+17 -1.023 3.244E+04 /
+BC5H11+DC5H11O2=BC5H11O+DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.596E+17 -1.010 3.272E+04 /
+CC5H11+AC5H11O2=CC5H11O+AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.903E+15 -0.776 3.215E+04 /
+CC5H11+BC5H11O2=CC5H11O+BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.130E+15 -0.768 3.293E+04 /
+CC5H11+CC5H11O2=2CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.580E+15 -0.789 3.187E+04 /
+CC5H11+DC5H11O2=CC5H11O+DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.901E+15 -0.776 3.215E+04 /
+DC5H11+AC5H11O2=DC5H11O+AC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.019E+13 -0.142 3.016E+04 /
+DC5H11+BC5H11O2=DC5H11O+BC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.002E+13 -0.134 3.094E+04 /
+DC5H11+CC5H11O2=DC5H11O+CC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.511E+13 -0.155 2.988E+04 /
+DC5H11+DC5H11O2=2DC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.017E+13 -0.142 3.016E+04 /
+AC5H11O2+HO2=AC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.845E+13 -0.795 3.362E+04 /
+AC5H11O2+H2O2=AC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2AC5H11O2=O2+2AC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+BC5H11O2=O2+AC5H11O+BC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+CC5H11O2=O2+AC5H11O+CC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+DC5H11O2=O2+AC5H11O+DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2+CH3O2=AC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+HO2=BC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.777E+13 -0.792 3.361E+04 /
+BC5H11O2+H2O2=BC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2BC5H11O2=O2+2BC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+CC5H11O2=O2+BC5H11O+CC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+DC5H11O2=O2+BC5H11O+DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H11O2+CH3O2=BC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H11O2+HO2=CC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.367E+13 -0.812 3.363E+04 /
+CC5H11O2+H2O2=CC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2CC5H11O2=O2+2CC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H11O2+DC5H11O2=O2+CC5H11O+DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H11O2+CH3O2=CC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H11O2+HO2=DC5H11O2H+O2 +1.750E+10 -1.610 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.844E+13 -2.405 3.362E+04 /
+DC5H11O2+H2O2=DC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+2DC5H11O2=O2+2DC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H11O2+CH3O2=DC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H11O2H=AC5H11O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.260E+07 1.918 -3.002E+03 /
+BC5H11O2H=BC5H11O+OH +5.950E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 7.875E+06 1.923 -2.172E+03 /
+CC5H11O2H=CC5H11O+OH +9.450E+15 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.985E+07 1.922 -4.192E+03 /
+DC5H11O2H=DC5H11O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.260E+07 1.918 -3.002E+03 /
+AC5H11O=CH2O+SC4H9 +2.417E+22 -2.639 +24750.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.190E+04 /
+BC5H11O=C2H5+CH3COCH3 +1.429E+24 -3.012 +18050.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.000 1.190E+04 /
+CC5H11O=CH3CHO+IC3H7 +8.732E+23 -3.014 +19370.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 1.190E+04 /
+DC5H11O=CH2O+IC4H9 +2.613E+20 -2.178 +25120.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.190E+04 /
+AC5H11O2=AC5H10OOH-A +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.090E+10 -0.509 8.950E+03 /
+AC5H11O2=AC5H10OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.509E+06 0.781 1.078E+04 /
+AC5H11O2=AC5H10OOH-C +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.888E+09 -0.121 7.860E+03 /
+AC5H11O2=AC5H10OOH-D +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.136E+10 -0.509 6.900E+03 /
+BC5H11O2=BC5H10OOH-A +6.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.335E+12 -0.496 1.393E+04 /
+BC5H11O2=BC5H10OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.991E+10 -0.155 1.389E+04 /
+BC5H11O2=BC5H10OOH-D +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.345E+10 -0.496 8.930E+03 /
+CC5H11O2=CC5H10OOH-A +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.958E+11 -0.518 8.950E+03 /
+CC5H11O2=CC5H10OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 5.577E+09 0.022 1.294E+04 /
+CC5H11O2=CC5H10OOH-D +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.834E+11 -0.518 1.395E+04 /
+DC5H11O2=DC5H10OOH-A +9.376E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 3.417E+10 -0.509 6.900E+03 /
+DC5H11O2=DC5H10OOH-B +1.250E+10 +0.000 +19100.0 ! *:_:* LLNL *:_:*
+ REV/ 7.046E+08 0.024 7.970E+03 /
+DC5H11O2=DC5H10OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.309E+10 -0.121 1.386E+04 /
+AC5H11O2=AC5H10+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.453E+27 -5.382 2.072E+04 /
+BC5H11O2=AC5H10+HO2 +1.015E+43 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.690E+32 -7.234 1.662E+04 /
+BC5H11O2=BC5H10+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.683E+27 -5.689 1.858E+04 /
+CC5H11O2=BC5H10+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.978E+25 -4.855 1.889E+04 /
+CC5H11O2=CC5H10+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.971E+33 -7.314 1.652E+04 /
+DC5H11O2=CC5H10+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.680E+30 -6.296 2.031E+04 /
+AC5H10OOH-B=A-BC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-A=A-AC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-C=A-CC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-D=A-DC5H10O+OH +6.250E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-A=A-BC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-C=B-CC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-D=B-DC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-B=B-CC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-D=C-DC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-A=A-CC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-C=C-DC5H10O+OH +4.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-B=B-DC5H10O+OH +5.000E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-A=A-DC5H10O+OH +6.250E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-B=AC5H10+HO2 +7.820E+14 -1.057 +16450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+BC5H10OOH-A=AC5H10+HO2 +8.395E+21 -2.672 +21150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+BC5H10OOH-C=BC5H10+HO2 +1.611E+21 -2.576 +20700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+CC5H10OOH-B=BC5H10+HO2 +8.483E+19 -2.343 +21190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+CC5H10OOH-D=CC5H10+HO2 +6.724E+20 -2.615 +21270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+DC5H10OOH-C=CC5H10+HO2 +3.467E+18 -1.935 +18190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+AC5H10OOH-C=OH+CH2O+C4H8-2 +2.719E+14 -0.480 +29030.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-A=OH+CH2O+C4H8-1 +4.065E+15 -0.650 +29390.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OOH-D=OH+CH3COCH3+C2H4 +1.182E+20 -2.060 +24210.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OOH-A=OH+CH3CHO+C3H6 +8.216E+19 -1.880 +26470.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC5H10OOH-B=OH+CH2O+IC4H8 +7.478E+11 -0.670 +30780.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OOH-AO2=AC5H10OOH-A+O2 +3.125E+20 -1.639 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+AC5H10OOH-BO2=AC5H10OOH-B+O2 +4.734E+27 -3.238 +39640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC5H10OOH-CO2=AC5H10OOH-C+O2 +1.374E+23 -2.264 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC5H10OOH-DO2=AC5H10OOH-D+O2 +3.136E+20 -1.639 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC5H10OOH-AO2=BC5H10OOH-A+O2 +7.068E+19 -1.624 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+BC5H10OOH-CO2=BC5H10OOH-C+O2 +4.417E+22 -2.201 +37930.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+BC5H10OOH-DO2=BC5H10OOH-D+O2 +2.816E+20 -1.624 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC5H10OOH-AO2=CC5H10OOH-A+O2 +1.066E+20 -1.584 +35660.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+CC5H10OOH-BO2=CC5H10OOH-B+O2 +1.568E+24 -2.434 +37440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+CC5H10OOH-DO2=CC5H10OOH-D+O2 +2.132E+20 -1.584 +35660.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC5H10OOH-AO2=DC5H10OOH-A+O2 +5.233E+19 -1.639 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.260E+12 0.000 0.000E+00 /
+DC5H10OOH-BO2=DC5H10OOH-B+O2 +2.107E+24 -2.481 +37450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC5H10OOH-CO2=DC5H10OOH-C+O2 +6.900E+22 -2.264 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC5H10OOH-AO2=IC5KETAA+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.085E+03 1.443 4.443E+04 /
+AC5H10OOH-BO2=IC5KETAB+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.214E+04 1.245 4.873E+04 /
+AC5H10OOH-CO2=IC5KETAC+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.467E+03 1.400 4.446E+04 /
+AC5H10OOH-DO2=IC5KETAD+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.703E+02 1.443 4.238E+04 /
+CC5H10OOH-AO2=IC5KETCA+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 6.798E+01 1.818 4.359E+04 /
+CC5H10OOH-BO2=IC5KETCB+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 7.501E+03 1.581 4.893E+04 /
+CC5H10OOH-DO2=IC5KETCD+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.039E+02 1.802 4.973E+04 /
+DC5H10OOH-AO2=IC5KETDA+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.599E+02 1.504 4.268E+04 /
+DC5H10OOH-BO2=IC5KETDB+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.358E+03 1.496 4.473E+04 /
+DC5H10OOH-CO2=IC5KETDC+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.713E+04 1.347 4.891E+04 /
+IC5KETAA=CH2O+C3H6CHO-3+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETAB=C2H5COCH3+HCO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETAC=CH3CHO+CH3CHCHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETAD=CH2O+IC3H6CHO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETCA=CH2O+CH3CHCOCH3+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETCB=CH3COCH3+CH3CO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETCD=CH2O+IC3H7CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETDA=CH2O+C3H6CHO-2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETDB=CH3COCH3+CH2CHO+OH +9.500E+15 +0.000 +42540.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5KETDC=IC3H7CHO+HCO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+OH=CH2O+C4H71-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+OH=IC3H5CHO+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+OH=C3H6+CH3CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+OH=C3H6+CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+OH=IC3H5COCH3+H+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+OH=IC4H8+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+OH=CH2CO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+OH=C2H3CHO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+OH=CH2O+C4H72-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+OH=C3H5-T+CH3CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+OH=CH3CHCHO+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+OH=IC3H5CHO+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+OH=CH3COCH3+C2H3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+OH=SC3H5CHO+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+HO2=CH2O+C4H71-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+HO2=IC3H5CHO+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+HO2=C3H6+CH3CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+HO2=C3H6+CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+HO2=IC3H5COCH3+H+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+HO2=IC4H8+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+HO2=CH2CO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC5H10O+HO2=C2H3CHO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC5H10O+HO2=CH2O+C4H72-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC5H10O+HO2=C3H5-T+CH3CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC5H10O+HO2=CH3CHCHO+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC5H10O+HO2=IC3H5CHO+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC5H10O+HO2=CH3COCH3+C2H3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC5H10O+HO2=SC3H5CHO+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC5H10OH=AC5H10+OH +7.849E+13 -0.320 +28180.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+AO2C5H10OH=AC5H10OH+O2 +2.316E+22 -2.160 +37130.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+AO2C5H10OH=C2H5COCH3+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC5H10OH=BC5H10+OH +1.088E+16 -0.900 +29680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+BO2C5H10OH=BC5H10OH+O2 +1.027E+22 -2.140 +37110.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+BO2C5H10OH=CH3COCH3+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC5H10OH=CC5H10+OH +1.156E+15 -0.630 +27900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CO2C5H10OH=CC5H10OH+O2 +8.044E+20 -1.800 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CO2C5H10OH=IC3H7CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH3CHCHO=C2H3CHO+H +3.515E+15 -0.510 +41060.0 ! *:_:* LLNL *:_:*
+ REV/ 6.500E+12 0.000 2.900E+03 /
+CH3CHCHO=CH3CHCO+H +1.135E+16 -0.660 +40310.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 1.200E+03 /
+CH3CHCHO+H2=C2H5CHO+H +2.160E+05 +2.380 +18990.0 ! *:_:* LLNL *:_:*
+ REV/ 4.309E+04 2.630 5.265E+03 /
+IC3H5COCH3=IC3H5CO+CH3 +2.200E+17 -0.510 +75220.0 ! *:_:* LLNL *:_:*
+ REV/ 9.640E+12 0.000 0.000E+00 /
+IC3H5COCH3=C3H5-T+CH3CO +6.070E+24 -2.210 +96960.0 ! *:_:* LLNL *:_:*
+ REV/ 9.640E+12 0.000 0.000E+00 /
+IC3H5COCH3+OH=IC3H5COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.436E+13 -0.700 2.766E+04 /
+IC3H5COCH3+O=IC3H5COCH2+OH +5.000E+12 +0.000 +5962.0 ! *:_:* LLNL *:_:*
+ REV/ 6.401E+13 -0.700 1.518E+04 /
+IC3H5COCH3+H=IC3H5COCH2+H2 +9.300E+12 +0.000 +6357.0 ! *:_:* LLNL *:_:*
+ REV/ 2.711E+14 -0.700 1.767E+04 /
+IC3H5COCH3+CH3=IC3H5COCH2+CH4 +1.620E+11 +0.000 +9630.0 ! *:_:* LLNL *:_:*
+ REV/ 1.234E+14 -0.700 2.142E+04 /
+IC3H5COCH3+HO2=IC3H5COCH2+H2O2 +8.500E+12 +0.000 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.000E+03 /
+IC3H5COCH3+O2=IC3H5COCH2+HO2 +6.000E+13 +0.000 +46000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.000E+03 /
+IC3H5COCH2=C3H5-T+CH2CO +1.000E+14 +0.000 +31000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+IC3H5COCH3+OH=AC3H4COCH3+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 2.679E+08 1.390 3.246E+04 /
+IC3H5COCH3+O=AC3H4COCH3+OH +6.030E+10 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+ REV/ 5.252E+11 0.090 2.314E+04 /
+IC3H5COCH3+H=AC3H4COCH3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 3.431E+06 1.890 2.009E+04 /
+IC3H5COCH3+CH3=AC3H4COCH3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 1.145E+03 2.890 2.376E+04 /
+IC3H5COCH3+HO2=AC3H4COCH3+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.913E+06 1.660 1.520E+04 /
+IC3H5COCH3+O2=AC3H4COCH3+HO2 +6.030E+13 +0.000 +47590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.172E+13 -0.280 7.712E+03 /
+AC3H4COCH3=C3H4-A+CH3CO +1.400E+13 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.684E+00 2.930 1.230E+04 /
+IC6H14=IC4H9+C2H5 +5.286E+23 -2.181 +88670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=IC3H7+NC3H7 +3.475E+25 -2.563 +88150.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=DC5H11+CH3 +1.298E+22 -1.769 +89660.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=C5H11-2+CH3 +1.402E+19 -0.729 +87100.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+IC6H14=AC6H13+H +6.786E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=BC6H13+H +3.679E+18 -0.926 +96720.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=CC6H13+H +1.005E+18 -0.698 +98700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=DC6H13+H +1.005E+18 -0.698 +98700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14=EC6H13+H +6.786E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+IC6H14+H=AC6H13+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.993E+01 3.384 8.620E+03 /
+IC6H14+H=BC6H13+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 2.358E+00 3.602 9.425E+03 /
+IC6H14+H=CC6H13+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.864E+01 3.374 9.326E+03 /
+IC6H14+H=DC6H13+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.864E+01 3.374 9.326E+03 /
+IC6H14+H=EC6H13+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.997E+01 3.384 8.620E+03 /
+IC6H14+O=AC6H13+OH +2.697E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 3.007E+03 2.648 6.064E+03 /
+IC6H14+O=BC6H13+OH +3.968E+05 +2.401 +1150.0 ! *:_:* LLNL *:_:*
+ REV/ 8.159E-01 3.583 6.580E+03 /
+IC6H14+O=CC6H13+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.476E+00 3.393 6.289E+03 /
+IC6H14+O=DC6H13+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.476E+00 3.393 6.289E+03 /
+IC6H14+O=EC6H13+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.166E+02 3.038 5.694E+03 /
+IC6H14+OH=AC6H13+H2O +1.054E+10 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.382E+07 1.498 1.882E+04 /
+IC6H14+OH=BC6H13+H2O +5.733E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 2.390E+06 1.606 2.180E+04 /
+IC6H14+OH=CC6H13+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 7.126E+03 2.478 1.971E+04 /
+IC6H14+OH=DC6H13+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 7.126E+03 2.478 1.971E+04 /
+IC6H14+OH=EC6H13+H2O +5.270E+09 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.191E+07 1.498 1.882E+04 /
+IC6H14+CH3=AC6H13+CH4 +9.067E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.758E-01 3.838 1.103E+04 /
+IC6H14+CH3=BC6H13+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 2.149E-12 7.116 9.275E+03 /
+IC6H14+CH3=CC6H13+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+03 2.661 1.397E+04 /
+IC6H14+CH3=DC6H13+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+03 2.661 1.397E+04 /
+IC6H14+CH3=EC6H13+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.763E-02 3.838 1.103E+04 /
+IC6H14+HO2=AC6H13+H2O2 +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.959E+03 2.439 3.030E+03 /
+IC6H14+HO2=BC6H13+H2O2 +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 3.401E+01 3.007 3.101E+03 /
+IC6H14+HO2=CC6H13+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.881E+02 2.779 3.717E+03 /
+IC6H14+HO2=DC6H13+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.881E+02 2.779 3.717E+03 /
+IC6H14+HO2=EC6H13+H2O2 +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.980E+03 2.439 3.030E+03 /
+IC6H14+CH3O=AC6H13+CH3OH +3.200E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC6H14+CH3O=BC6H13+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+IC6H14+CH3O=CC6H13+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.000 7.200E+03 /
+IC6H14+CH3O=DC6H13+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.000 7.200E+03 /
+IC6H14+CH3O=EC6H13+CH3OH +1.580E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC6H14+O2=AC6H13+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 4.680E+10 0.286 4.560E+02 /
+IC6H14+O2=BC6H13+HO2 +7.000E+12 +0.000 +48000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.439E+08 0.854 1.579E+02 /
+IC6H14+O2=CC6H13+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.053E+09 0.626 3.210E+02 /
+IC6H14+O2=DC6H13+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.053E+09 0.626 3.210E+02 /
+IC6H14+O2=EC6H13+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.340E+10 0.286 4.560E+02 /
+IC6H14+C2H5=AC6H13+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC6H14+C2H5=BC6H13+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+IC6H14+C2H5=CC6H13+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC6H14+C2H5=DC6H13+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC6H14+C2H5=EC6H13+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.240E+11 0.000 1.230E+04 /
+IC6H14+C2H3=AC6H13+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+IC6H14+C2H3=BC6H13+C2H4 +2.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 2.300E+04 /
+IC6H14+C2H3=CC6H13+C2H4 +3.980E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC6H14+C2H3=DC6H13+C2H4 +3.980E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC6H14+C2H3=EC6H13+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.510E+12 0.000 2.540E+04 /
+IC6H14+CH3O2=AC6H13+CH3O2H +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.938E+05 1.994 1.435E+03 /
+IC6H14+CH3O2=BC6H13+CH3O2H +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 6.617E+02 2.562 1.506E+03 /
+IC6H14+CH3O2=CC6H13+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.496E+03 2.334 2.122E+03 /
+IC6H14+CH3O2=DC6H13+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.496E+03 2.334 2.122E+03 /
+IC6H14+CH3O2=EC6H13+CH3O2H +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.688E+04 1.994 1.435E+03 /
+IC6H14+AC6H13=BC6H13+IC6H14 +2.500E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+AC6H13=CC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+AC6H13=DC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+AC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.230E+04 /
+IC6H14+BC6H13=CC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC6H14+BC6H13=DC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC6H14+BC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.000 7.900E+03 /
+IC6H14+CC6H13=DC6H13+IC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+IC6H14+CC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+IC6H14+DC6H13=EC6H13+IC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+AC6H13 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+BC6H13 +2.016E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+CC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+DC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+AC6H13O2+IC6H14=AC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+BC6H13O2+IC6H14=BC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+CC6H13O2+IC6H14=CC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+DC6H13O2+IC6H14=DC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+EC6H13O2+IC6H14=EC6H13O2H+EC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC6H14+O2CHO=AC6H13+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.138E+03 2.300 3.065E+03 /
+IC6H14+O2CHO=BC6H13+HO2CHO +2.800E+12 +0.000 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 3.497E+00 2.870 3.145E+03 /
+IC6H14+O2CHO=CC6H13+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.560E+01 2.640 2.831E+03 /
+IC6H14+O2CHO=DC6H13+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.560E+01 2.640 2.831E+03 /
+IC6H14+O2CHO=EC6H13+HO2CHO +8.400E+12 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.688E+02 2.300 3.065E+03 /
+AC6H13=NC3H7+C3H6 +1.816E+21 -2.230 +32260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 9.200E+03 /
+AC6H13=C5H10-1+CH3 +2.116E+18 -1.374 +33320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 9.200E+03 /
+AC6H13=AC6H12+H +2.124E+14 -0.287 +35160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 3.200E+03 /
+BC6H13=IC4H8+C2H5 +1.048E+19 -1.641 +30790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.200E+03 /
+BC6H13=AC6H12+H +3.917E+12 +0.281 +37660.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 1.200E+03 /
+BC6H13=BC6H12+H +8.020E+12 +0.105 +36490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+CC6H13=C5H10-2+CH3 +4.107E+18 -1.635 +32980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 9.200E+03 /
+CC6H13=BC6H12+H +2.936E+13 -0.123 +34800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 3.200E+03 /
+CC6H13=CC6H12+H +1.372E+13 -0.093 +35920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+DC6H13=IC3H7+C3H6 +7.771E+20 -2.204 +30830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.800E+03 /
+DC6H13=CC6H12+H +1.372E+13 -0.093 +35920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+DC6H13=DC6H12+H +6.434E+12 +0.085 +36820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 1.200E+03 /
+EC6H13=IC4H9+C2H4 +2.150E+19 -1.943 +30740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.700E+11 0.000 7.200E+03 /
+EC6H13=DC6H12+H +9.529E+13 -0.255 +36010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+AC6H13+O2=AC6H12+HO2 +1.500E-19 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC6H13+O2=AC6H12+HO2 +9.000E-19 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+BC6H13+O2=BC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC6H13+O2=BC6H12+HO2 +1.500E-19 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC6H13+O2=CC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC6H13+O2=CC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC6H13+O2=DC6H12+HO2 +4.500E-19 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+EC6H13+O2=DC6H12+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+AC6H13=DC6H13 +2.000E+11 +0.000 +18100.0 ! *:_:* LLNL *:_:*
+ REV/ 6.000E+11 0.000 2.110E+04 /
+AC6H13=EC6H13 +3.000E+11 +0.000 +14100.0 ! *:_:* LLNL *:_:*
+ REV/ 6.000E+11 0.000 1.410E+04 /
+BC6H13=EC6H13 +3.000E+11 +0.000 +21100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.610E+04 /
+AC6H12+OH=C5H11-2+CH2O +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12+OH=CH3COCH3+NC3H7 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12+OH=C2H5CHO+IC3H7 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12+OH=IC4H9+CH3CHO +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12+OH=DC5H11+CH2O +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12+O=C5H11-2+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12+O=IC4H9+CH3CO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12+O=DC5H11+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12=IC4H7+C2H5 +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+BC6H12=CH3+CC5H9-B +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+CC6H12=CH3+C5H92-4 +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+DC6H12=IC3H7+C3H5-A +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+AC6H12+H=AC6H11-A2+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 7.048E+06 1.890 2.010E+04 /
+AC6H12+H=AC6H11-C+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.374E+06 2.100 2.033E+04 /
+AC6H12+H=AC6H11-D+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.911E+03 2.740 1.126E+04 /
+AC6H12+H=AC6H11-E+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.076E+04 2.540 1.104E+04 /
+AC6H12+OH=AC6H11-A2+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.503E+08 1.390 3.247E+04 /
+AC6H12+OH=AC6H11-C+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.551E+06 2.380 3.336E+04 /
+AC6H12+OH=AC6H11-D+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.084E+05 1.950 2.191E+04 /
+AC6H12+OH=AC6H11-E+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.055E+09 0.970 2.102E+04 /
+AC6H12+CH3=AC6H11-A2+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.352E+03 2.890 2.376E+04 /
+AC6H12+CH3=AC6H11-C+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.249E+03 3.050 2.460E+04 /
+AC6H12+CH3=AC6H11-D+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.187E-01 3.800 1.275E+04 /
+AC6H12+CH3=AC6H11-E+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.463E-01 3.650 1.191E+04 /
+AC6H12+HO2=AC6H11-A2+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.009E+07 1.660 1.521E+04 /
+AC6H12+HO2=AC6H11-C+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.605E+06 1.960 1.434E+04 /
+AC6H12+HO2=AC6H11-D+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.455E+02 2.610 4.392E+03 /
+AC6H12+HO2=AC6H11-E+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.829E+04 2.220 4.466E+03 /
+AC6H12+CH3O2=AC6H11-A2+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.101E+07 1.490 1.219E+04 /
+AC6H12+CH3O2=AC6H11-C+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.343E+06 1.790 1.132E+04 /
+AC6H12+CH3O2=AC6H11-D+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.552E+03 2.440 1.372E+03 /
+AC6H12+CH3O2=AC6H11-E+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.892E+04 2.040 1.446E+03 /
+AC6H12+CH3O=AC6H11-A2+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.768E+03 2.360 2.787E+04 /
+AC6H12+CH3O=AC6H11-C+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.499E+02 2.670 2.700E+04 /
+AC6H12+CH3O=AC6H11-D+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.103E+08 0.370 9.631E+03 /
+AC6H12+CH3O=AC6H11-E+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.839E+09 0.020 9.008E+03 /
+BC6H12+H=AC6H11-C+H2 +3.460E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 9.180E+06 2.060 1.974E+04 /
+BC6H12+H=CC6H11-B+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 2.496E+06 2.270 2.104E+04 /
+BC6H12+H=BC6H11-E+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.090E+04 2.540 1.104E+04 /
+BC6H12+OH=AC6H11-C+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 7.168E+08 1.560 3.211E+04 /
+BC6H12+OH=CC6H11-B+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 8.847E+05 2.550 3.407E+04 /
+BC6H12+OH=BC6H11-E+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+09 0.970 2.102E+04 /
+BC6H12+CH3=AC6H11-C+CH4 +4.420E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 3.064E+03 3.060 2.341E+04 /
+BC6H12+CH3=CC6H11-B+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 7.126E+02 3.220 2.531E+04 /
+BC6H12+CH3=BC6H11-E+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.487E-01 3.650 1.191E+04 /
+BC6H12+HO2=AC6H11-C+H2O2 +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.315E+07 1.840 1.485E+04 /
+BC6H12+HO2=CC6H11-B+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 9.158E+05 2.130 1.505E+04 /
+BC6H12+HO2=BC6H11-E+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.842E+04 2.220 4.466E+03 /
+BC6H12+CH3O2=AC6H11-C+CH3O2H +1.928E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.738E+07 1.660 1.183E+04 /
+BC6H12+CH3O2=CC6H11-B+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.907E+06 1.950 1.203E+04 /
+BC6H12+CH3O2=BC6H11-E+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.918E+04 2.040 1.446E+03 /
+BC6H12+CH3O=AC6H11-C+CH3OH +1.800E+02 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 2.302E+03 2.540 2.751E+04 /
+BC6H12+CH3O=CC6H11-B+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 1.426E+02 2.830 2.771E+04 /
+BC6H12+CH3O=BC6H11-E+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.860E+09 0.020 9.008E+03 /
+CC6H12+H=CC6H11-A+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.091E+04 2.540 1.105E+04 /
+CC6H12+H=CC6H11-B+H2 +2.650E+06 +2.200 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 9.154E+06 2.140 2.225E+04 /
+CC6H12+H=DC6H11-C+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 4.830E+06 2.060 2.002E+04 /
+CC6H12+OH=CC6H11-A+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.090E+09 0.970 2.103E+04 /
+CC6H12+OH=CC6H11-B+H2O +6.140E+02 +3.200 -3500.0 ! *:_:* LLNL *:_:*
+ REV/ 9.183E+03 3.140 3.391E+04 /
+CC6H12+OH=DC6H11-C+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.771E+08 1.560 3.239E+04 /
+CC6H12+CH3=CC6H11-A+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.082E+00 3.650 1.192E+04 /
+CC6H12+CH3=CC6H11-B+CH4 +4.613E+00 +3.100 +2330.0 ! *:_:* LLNL *:_:*
+ REV/ 4.163E+02 3.040 2.506E+04 /
+CC6H12+CH3=DC6H11-C+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 1.612E+03 3.060 2.369E+04 /
+CC6H12+HO2=CC6H11-A+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.603E+04 2.220 4.476E+03 /
+CC6H12+HO2=CC6H11-B+H2O2 +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.607E+05 2.110 1.310E+04 /
+CC6H12+HO2=DC6H11-C+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.917E+06 1.830 1.513E+04 /
+CC6H12+CH3O2=CC6H11-A+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.167E+05 2.050 1.456E+03 /
+CC6H12+CH3O2=CC6H11-B+CH3O2H +1.810E+03 +2.500 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 3.346E+05 1.930 1.008E+04 /
+CC6H12+CH3O2=DC6H11-C+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+07 1.660 1.211E+04 /
+CC6H12+CH3O=CC6H11-A+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.583E+09 0.020 9.018E+03 /
+CC6H12+CH3O=CC6H11-B+CH3OH +1.000E+01 +2.850 +5231.0 ! *:_:* LLNL *:_:*
+ REV/ 1.665E+01 2.810 2.575E+04 /
+CC6H12+CH3O=DC6H11-C+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.211E+03 2.540 2.779E+04 /
+DC6H12+H=DC6H11-A+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.181E+04 2.540 1.104E+04 /
+DC6H12+H=DC6H11-B+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 2.365E+02 2.970 1.135E+04 /
+DC6H12+H=DC6H11-C+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.420E+06 2.100 2.034E+04 /
+DC6H12+OH=DC6H11-A+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.121E+09 0.960 2.102E+04 /
+DC6H12+OH=DC6H11-B+H2O +5.733E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 9.751E+07 1.080 2.399E+04 /
+DC6H12+OH=DC6H11-C+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.567E+06 2.380 3.337E+04 /
+DC6H12+CH3=DC6H11-A+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.098E+00 3.640 1.191E+04 /
+DC6H12+CH3=DC6H11-B+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 6.168E-12 6.940 1.014E+04 /
+DC6H12+CH3=DC6H11-C+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.262E+03 3.050 2.461E+04 /
+DC6H12+HO2=DC6H11-A+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.685E+04 2.220 4.466E+03 /
+DC6H12+HO2=DC6H11-B+H2O2 +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.645E+01 2.800 2.994E+03 /
+DC6H12+HO2=DC6H11-C+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.622E+06 1.960 1.435E+04 /
+DC6H12+CH3O2=DC6H11-A+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.184E+05 2.040 1.446E+03 /
+DC6H12+CH3O2=DC6H11-B+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 7.590E+01 2.620 -2.600E+01 /
+DC6H12+CH3O2=DC6H11-C+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.378E+06 1.790 1.133E+04 /
+DC6H12+CH3O=DC6H11-A+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.723E+09 0.020 9.008E+03 /
+DC6H12+CH3O=DC6H11-B+CH3OH +2.290E+10 +0.000 +2873.0 ! *:_:* LLNL *:_:*
+ REV/ 4.337E+06 0.600 9.913E+03 /
+DC6H12+CH3O=DC6H11-C+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.525E+02 2.660 2.701E+04 /
+AC6H11-C+HO2=AC6H11O-C+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.774E+15 -0.900 1.556E+04 /
+AC6H11-C+CH3O2=AC6H11O-C+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.732E+17 -1.470 2.033E+04 /
+AC6H11-C+C2H5O2=AC6H11O-C+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.134E+14 -0.550 1.817E+04 /
+AC6H11-E=AC6H11-A2 +4.172E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.674E+14 -0.610 3.973E+04 /
+CC6H11-B+HO2=CC6H11O-B+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.162E+15 -1.000 1.707E+04 /
+CC6H11-B+CH3O2=CC6H11O-B+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.042E+17 -1.570 2.183E+04 /
+CC6H11-B+C2H5O2=CC6H11O-B+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.301E+14 -0.650 1.967E+04 /
+DC6H11-C+HO2=DC6H11O-C+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.350E+14 -0.730 1.541E+04 /
+DC6H11-C+CH3O2=DC6H11O-C+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.226E+16 -1.310 2.017E+04 /
+DC6H11-C+C2H5O2=DC6H11O-C+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.421E+13 -0.380 1.801E+04 /
+AC6H11O-C=C2H5CHO+C3H5-T +3.243E+22 -2.590 +30010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC6H11O-B=CH3COCH3+C3H5-S +7.180E+17 -1.200 +28370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+DC6H11O-C=IC3H7CHO+C2H3 +9.555E+16 -1.190 +23360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+DC6H11O-C=C2H3CHO+IC3H7 +2.420E+16 -0.790 +8741.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+AC6H11-A2=C3H4-A+NC3H7 +1.280E+28 -4.430 +72370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+AC6H11-C=IC5H8+CH3 +7.172E+20 -2.490 +52200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+AC6H11-D=C3H6+C3H5-T +1.329E+22 -2.890 +53720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+AC6H11-E=C2H4+IC4H7 +4.964E+23 -3.550 +43590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+BC6H11-E=C2H4+IC4H7-I1 +2.006E+17 -1.320 +43260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 7.800E+03 /
+CC6H11-A=C5H81-3+CH3 +2.461E+12 -0.040 +24210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+DC6H11-A=C3H6+C3H5-A +1.234E+18 -1.480 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+DC6H11-B=IC4H8+C2H3 +8.224E+12 -0.260 +37270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+AC6H13O2=AC6H13+O2 +1.607E+20 -1.643 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC6H13O2=BC6H13+O2 +3.300E+24 -2.549 +37300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+CC6H13O2=CC6H13+O2 +7.401E+22 -2.277 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC6H13O2=DC6H13+O2 +7.401E+22 -2.277 +37990.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+EC6H13O2=EC6H13+O2 +3.202E+20 -1.643 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC6H13+AC6H13O2=2AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.808E+13 -0.179 2.979E+04 /
+AC6H13+BC6H13O2=AC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.297E+13 -0.172 3.059E+04 /
+AC6H13+CC6H13O2=AC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.582E+13 -0.172 2.950E+04 /
+AC6H13+DC6H13O2=AC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.582E+13 -0.172 2.950E+04 /
+AC6H13+EC6H13O2=AC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.809E+13 -0.179 2.979E+04 /
+BC6H13+AC6H13O2=BC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+17 -1.078 3.218E+04 /
+BC6H13+BC6H13O2=2BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.122E+16 -1.071 3.298E+04 /
+BC6H13+CC6H13O2=BC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.422E+17 -1.071 3.189E+04 /
+BC6H13+DC6H13O2=BC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.422E+17 -1.071 3.189E+04 /
+BC6H13+EC6H13O2=BC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+17 -1.078 3.218E+04 /
+CC6H13+AC6H13O2=CC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.888E+15 -0.806 3.178E+04 /
+CC6H13+BC6H13O2=CC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.965E+15 -0.799 3.258E+04 /
+CC6H13+CC6H13O2=2CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+CC6H13+DC6H13O2=CC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+CC6H13+EC6H13O2=CC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.889E+15 -0.806 3.178E+04 /
+DC6H13+AC6H13O2=DC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.888E+15 -0.806 3.178E+04 /
+DC6H13+BC6H13O2=DC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.965E+15 -0.799 3.258E+04 /
+DC6H13+CC6H13O2=DC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+DC6H13+DC6H13O2=2DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.301E+15 -0.799 3.148E+04 /
+DC6H13+EC6H13O2=DC6H13O+EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.889E+15 -0.806 3.178E+04 /
+EC6H13+AC6H13O2=EC6H13O+AC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.589E+13 -0.179 2.979E+04 /
+EC6H13+BC6H13O2=EC6H13O+BC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.578E+13 -0.172 3.059E+04 /
+EC6H13+CC6H13O2=EC6H13O+CC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.138E+13 -0.172 2.950E+04 /
+EC6H13+DC6H13O2=EC6H13O+DC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.138E+13 -0.172 2.950E+04 /
+EC6H13+EC6H13O2=2EC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.590E+13 -0.179 2.979E+04 /
+AC6H13+HO2=AC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.138E+15 -0.515 2.609E+04 /
+BC6H13+HO2=BC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+18 -1.414 2.848E+04 /
+CC6H13+HO2=CC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.956E+17 -1.142 2.807E+04 /
+DC6H13+HO2=DC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.956E+17 -1.142 2.807E+04 /
+EC6H13+HO2=EC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.268E+15 -0.515 2.609E+04 /
+AC6H13+CH3O2=AC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.120E+13 -0.216 3.033E+04 /
+BC6H13+CH3O2=BC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.827E+17 -1.115 3.272E+04 /
+CC6H13+CH3O2=CC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.849E+16 -0.843 3.231E+04 /
+DC6H13+CH3O2=DC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.849E+16 -0.843 3.231E+04 /
+EC6H13+CH3O2=EC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.419E+14 -0.216 3.033E+04 /
+AC6H13O2=AC6H12OOH-A +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.188E+11 -0.570 9.010E+03 /
+AC6H13O2=AC6H12OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 3.328E+09 0.008 1.301E+04 /
+AC6H13O2=AC6H12OOH-C +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 4.227E+09 -0.171 7.910E+03 /
+AC6H13O2=AC6H12OOH-D +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.283E+08 -0.171 6.110E+03 /
+AC6H13O2=AC6H12OOH-E +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.419E+09 -0.570 1.016E+04 /
+BC6H13O2=BC6H12OOH-A +6.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.337E+12 -0.496 1.393E+04 /
+BC6H13O2=BC6H12OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.912E+10 -0.150 1.389E+04 /
+BC6H13O2=BC6H12OOH-D +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.390E+09 -0.150 7.890E+03 /
+BC6H13O2=BC6H12OOH-E +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.045E+10 -0.496 6.880E+03 /
+CC6H13O2=CC6H12OOH-A +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.455E+11 -0.594 9.040E+03 /
+CC6H13O2=CC6H12OOH-B +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.064E+10 -0.063 1.305E+04 /
+CC6H13O2=CC6H12OOH-D +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.829E+10 -0.145 1.390E+04 /
+CC6H13O2=CC6H12OOH-E +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.597E+11 -0.594 9.040E+03 /
+DC6H13O2=DC6H12OOH-A +9.376E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.319E+10 -0.594 6.990E+03 /
+DC6H13O2=DC6H12OOH-B +1.250E+10 +0.000 +19100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.330E+09 -0.063 8.050E+03 /
+DC6H13O2=DC6H12OOH-C +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.829E+10 -0.145 1.390E+04 /
+DC6H13O2=DC6H12OOH-E +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.077E+12 -0.594 1.404E+04 /
+EC6H13O2=EC6H12OOH-A +1.172E+09 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 4.549E+09 -0.570 1.016E+04 /
+EC6H13O2=EC6H12OOH-B +1.563E+09 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.121E+08 0.008 5.960E+03 /
+EC6H13O2=EC6H12OOH-C +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.266E+10 -0.171 7.910E+03 /
+EC6H13O2=EC6H12OOH-D +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.013E+11 -0.171 1.391E+04 /
+AC6H13O2=AC6H12+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.256E+27 -5.362 2.069E+04 /
+BC6H13O2=AC6H12+HO2 +1.015E+43 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.319E+32 -7.214 1.660E+04 /
+BC6H13O2=BC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.629E+27 -5.738 1.847E+04 /
+CC6H13O2=BC6H12+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.292E+25 -4.892 1.877E+04 /
+CC6H13O2=CC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.846E+28 -5.812 1.835E+04 /
+DC6H13O2=CC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.846E+28 -5.812 1.835E+04 /
+DC6H13O2=DC6H12+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.683E+33 -7.290 1.675E+04 /
+EC6H13O2=DC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.565E+30 -6.284 2.054E+04 /
+AC6H13O2+HO2=AC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+13 -0.795 3.361E+04 /
+BC6H13O2+HO2=BC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.504E+13 -0.782 3.360E+04 /
+CC6H13O2+HO2=CC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.426E+13 -0.814 3.364E+04 /
+DC6H13O2+HO2=DC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.426E+13 -0.814 3.364E+04 /
+EC6H13O2+HO2=EC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.833E+13 -0.795 3.361E+04 /
+AC6H13O2+H2O2=AC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+BC6H13O2+H2O2=BC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+CC6H13O2+H2O2=CC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+DC6H13O2+H2O2=DC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+EC6H13O2+H2O2=EC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+AC6H13O2+CH3O2=AC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+CH3O2=BC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H13O2+CH3O2=CC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H13O2+CH3O2=DC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H13O2+CH3O2=EC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2AC6H13O2=O2+2AC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+BC6H13O2=O2+AC6H13O+BC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+CC6H13O2=O2+AC6H13O+CC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+DC6H13O2=O2+AC6H13O+DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2+EC6H13O2=O2+AC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2BC6H13O2=O2+2BC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+CC6H13O2=O2+BC6H13O+CC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+DC6H13O2=O2+BC6H13O+DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H13O2+EC6H13O2=O2+BC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2CC6H13O2=O2+2CC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H13O2+DC6H13O2=O2+CC6H13O+DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H13O2+EC6H13O2=O2+CC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2DC6H13O2=O2+2DC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H13O2+EC6H13O2=O2+DC6H13O+EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2EC6H13O2=O2+2EC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H13O2H=AC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.088E+07 1.923 -6.512E+03 /
+BC6H13O2H=BC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.378E+07 1.917 -5.702E+03 /
+CC6H13O2H=CC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.701E+07 1.950 -6.832E+03 /
+DC6H13O2H=DC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.701E+07 1.950 -6.832E+03 /
+EC6H13O2H=EC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.088E+07 1.923 -6.512E+03 /
+AC6H13O=CH2O+C5H11-2 +3.173E+17 -1.152 +22520.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+BC6H13O=NC3H7+CH3COCH3 +1.587E+24 -2.977 +17900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC6H13O=C2H5CHO+IC3H7 +3.297E+19 -1.568 +18240.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+CC6H13O=C2H5+IC3H7CHO +2.175E+22 -2.603 +21330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+DC6H13O=CH3CHO+IC4H9 +1.544E+22 -2.588 +19720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+EC6H13O=CH2O+DC5H11 +5.858E+20 -2.192 +25080.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC6H12OOH-B=A-BC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-A=A-AC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-C=A-CC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-D=A-DC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-E=A-EC6H12O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-A=A-BC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-C=B-CC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-D=B-DC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-E=B-EC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-B=B-CC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-D=C-DC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-A=A-CC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-E=C-EC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-C=C-DC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-E=D-EC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-B=B-DC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-A=A-DC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-D=D-EC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-C=C-EC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-B=B-EC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+EC6H12OOH-A=A-EC6H12O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-B=AC6H12+HO2 +3.532E+18 -1.850 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 2.944E+11 0.000 1.205E+04 /
+BC6H12OOH-A=AC6H12+HO2 +2.871E+22 -2.692 +21460.0 ! *:_:* LLNL *:_:*
+ REV/ 2.944E+11 0.000 1.205E+04 /
+BC6H12OOH-C=BC6H12+HO2 +1.485E+21 -2.522 +19140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.734E+11 0.000 1.009E+04 /
+CC6H12OOH-B=BC6H12+HO2 +2.538E+20 -2.391 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.734E+11 0.000 1.009E+04 /
+CC6H12OOH-D=CC6H12+HO2 +2.386E+20 -2.443 +20730.0 ! *:_:* LLNL *:_:*
+ REV/ 2.624E+11 0.000 1.154E+04 /
+DC6H12OOH-C=CC6H12+HO2 +2.386E+20 -2.443 +20730.0 ! *:_:* LLNL *:_:*
+ REV/ 2.624E+11 0.000 1.154E+04 /
+DC6H12OOH-E=DC6H12+HO2 +9.521E+21 -2.714 +22840.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+EC6H12OOH-D=DC6H12+HO2 +7.443E+19 -1.997 +20460.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+AC6H12OOH-A=OH+CH2O+C5H10-1 +4.295E+15 -0.580 +29390.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-C=OH+CH2O+C5H10-2 +5.329E+14 -0.450 +29220.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-D=HO2+2C3H6 +3.236E+17 -1.410 +27480.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OOH-D=OH+CH3COCH3+C3H6 +4.444E+19 -1.880 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-A=OH+C2H5CHO+C3H6 +1.014E+20 -1.930 +28800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OOH-E=OH+IC3H7CHO+C2H4 +1.522E+18 -1.520 +27560.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OOH-B=OH+CH3CHO+IC4H8 +2.623E+16 -0.780 +27160.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OOH-AO2=AC6H12OOH-A+O2 +2.635E+20 -1.578 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC6H12OOH-BO2=AC6H12OOH-B+O2 +7.484E+24 -2.472 +37410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC6H12OOH-CO2=AC6H12OOH-C+O2 +5.214E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC6H12OOH-DO2=AC6H12OOH-D+O2 +5.214E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC6H12OOH-EO2=AC6H12OOH-E+O2 +1.322E+20 -1.578 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC6H12OOH-AO2=BC6H12OOH-A+O2 +2.951E+20 -1.631 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC6H12OOH-CO2=BC6H12OOH-C+O2 +1.122E+23 -2.288 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+BC6H12OOH-DO2=BC6H12OOH-D+O2 +1.122E+23 -2.288 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+BC6H12OOH-EO2=BC6H12OOH-E+O2 +2.951E+20 -1.631 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC6H12OOH-AO2=CC6H12OOH-A+O2 +6.156E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC6H12OOH-DO2=CC6H12OOH-D+O2 +4.598E+22 -2.213 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+CC6H12OOH-EO2=CC6H12OOH-E+O2 +8.160E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC6H12OOH-BO2=CC6H12OOH-B+O2 +1.229E+24 -2.419 +37330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC6H12OOH-AO2=DC6H12OOH-A+O2 +6.156E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC6H12OOH-CO2=DC6H12OOH-C+O2 +4.598E+22 -2.213 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC6H12OOH-EO2=DC6H12OOH-E+O2 +8.160E+19 -1.511 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC6H12OOH-BO2=DC6H12OOH-B+O2 +1.229E+24 -2.419 +37330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+EC6H12OOH-AO2=EC6H12OOH-A+O2 +9.977E+19 -1.578 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+EC6H12OOH-CO2=EC6H12OOH-C+O2 +1.741E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+EC6H12OOH-DO2=EC6H12OOH-D+O2 +1.741E+22 -2.228 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+EC6H12OOH-BO2=EC6H12OOH-B+O2 +6.261E+23 -2.472 +37410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC6H12OOH-AO2=IC6KETAA+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.062E+03 1.447 4.443E+04 /
+AC6H12OOH-BO2=IC6KETAB+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.341E+04 1.254 4.872E+04 /
+AC6H12OOH-CO2=IC6KETAC+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.171E+03 1.389 4.447E+04 /
+AC6H12OOH-DO2=IC6KETAD+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 3.964E+02 1.389 4.242E+04 /
+AC6H12OOH-EO2=IC6KETAE+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.306E+01 1.447 4.558E+04 /
+CC6H12OOH-AO2=IC6KETCA+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.074E+02 1.815 4.388E+04 /
+CC6H12OOH-BO2=IC6KETCB+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.403E+03 1.669 4.919E+04 /
+CC6H12OOH-DO2=IC6KETCD+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.554E+03 1.644 4.909E+04 /
+CC6H12OOH-EO2=IC6KETCE+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.074E+02 1.815 4.388E+04 /
+DC6H12OOH-AO2=IC6KETDA+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.064E+01 1.871 4.210E+04 /
+DC6H12OOH-BO2=IC6KETDB+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 6.176E+01 1.927 4.391E+04 /
+DC6H12OOH-CO2=IC6KETDC+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.662E+03 1.727 4.908E+04 /
+DC6H12OOH-EO2=IC6KETDE+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.120E+02 1.858 5.003E+04 /
+EC6H12OOH-AO2=IC6KETEA+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.966E+01 1.506 4.587E+04 /
+EC6H12OOH-BO2=IC6KETEB+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.620E+02 1.502 4.268E+04 /
+EC6H12OOH-CO2=IC6KETEC+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.192E+03 1.514 4.472E+04 /
+EC6H12OOH-DO2=IC6KETED+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.087E+01 0.815 4.849E+04 /
+IC6KETAA=CH2O+C4H8CHO-4+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAB=NC3H7COCH3+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAC=C2H5CHO+CH3CHCHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAD=CH3CHO+IC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETAE=CH2O+C4H8CHO4-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCA=CH2O+C2H5COC2H4S+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCB=CH3COCH3+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCD=CH3CHO+IC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETCE=CH2O+IC3H7COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDA=CH2O+C3H6COCH3-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDB=CH3COCH3+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDC=IC3H7CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETDE=CH2O+IC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETEA=CH2O+C4H8CHO-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETEB=CH3COCH3+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETEC=IC3H7CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6KETED=IC4H9CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+OH=C5H10CHO1-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+OH=C5H10CHO2-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+OH=C5H10CHO3-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+OH=C5H10CHO4-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+OH=C5H10CHO5-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+OH=IC3H5CHO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+OH=IC4H7+CH3CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+OH=AC5H9-C+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+OH=IC3H7COC2H4S+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+OH=CC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+OH=DC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+OH=C5H91-2+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+OH=C5H91-2+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+OH=IC3H6COC2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+OH=IC3H6CH2COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+OH=AC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+OH=TC3H6COC2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+OH=TC3H6CH2COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+OH=BC5H10CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+OH=IC3H7CHCOCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+OH=IC3H7COC2H4P+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+OH=IC4H9COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+HO2=C5H10CHO1-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+HO2=C5H10CHO2-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+HO2=C5H10CHO3-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+HO2=C5H10CHO4-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+HO2=C5H10CHO5-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+HO2=IC3H5CHO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+HO2=IC4H7+CH3CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+HO2=AC5H9-C+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+HO2=IC3H7COC2H4S+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+HO2=CC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+HO2=DC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-AC6H12O+HO2=C5H91-2+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-BC6H12O+HO2=C5H91-2+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-CC6H12O+HO2=IC3H6COC2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-DC6H12O+HO2=IC3H6CH2COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+A-EC6H12O+HO2=AC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-CC6H12O+HO2=TC3H6COC2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-DC6H12O+HO2=TC3H6CH2COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+B-EC6H12O+HO2=BC5H10CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-DC6H12O+HO2=IC3H7CHCOCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C-EC6H12O+HO2=IC3H7COC2H4P+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+D-EC6H12O+HO2=IC4H9COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC6H12OH=AC6H12+OH +1.780E+14 -0.340 +28270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+AO2C6H12OH=AC6H12OH+O2 +1.164E+22 -2.160 +37130.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+AO2C6H12OH=NC3H7COCH3+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC6H12OH=BC6H12+OH +8.399E+15 -0.840 +29850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+BO2C6H12OH=BC6H12OH+O2 +1.229E+22 -2.170 +37140.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+BO2C6H12OH=CH3COCH3+C2H5CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC6H12OH=CC6H12+OH +1.146E+16 -1.010 +29470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CO2C6H12OH=CC6H12OH+O2 +2.557E+21 -1.970 +37760.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CO2C6H12OH=IC3H7CHO+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC6H12OH=DC6H12+OH +5.702E+14 -0.540 +27610.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+DO2C6H12OH=DC6H12OH+O2 +1.724E+21 -1.910 +37750.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+DO2C6H12OH=IC4H9CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4H9CHO-2+OH=NC4H9CO-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.193E+12 0.000 3.093E+04 /
+NC4H9CHO-2+OH=C4H8CHO1-2+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 6.470E+05 1.990 1.914E+04 /
+NC4H9CHO-2+OH=C4H8CHO2-2+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.214E+13 -0.180 2.993E+04 /
+NC4H9CHO-2+OH=C4H8CHO3-2+H2O +2.900E+09 +1.000 +258.0 ! *:_:* LLNL *:_:*
+ REV/ 2.871E+07 1.380 2.215E+04 /
+NC4H9CHO-2+OH=C4H8CHO4-2+H2O +3.160E+07 +1.800 +934.0 ! *:_:* LLNL *:_:*
+ REV/ 6.553E+06 1.790 2.037E+04 /
+NC4H9CHO-2+HO2=NC4H9CO-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.863E+12 -0.330 1.200E+04 /
+NC4H9CHO-2+HO2=C4H8CHO1-2+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.930E+04 2.210 4.471E+03 /
+NC4H9CHO-2+HO2=C4H8CHO2-2+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.424E+12 -0.510 1.117E+04 /
+NC4H9CHO-2+HO2=C4H8CHO3-2+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 5.665E+02 2.650 4.342E+03 /
+NC4H9CHO-2+HO2=C4H8CHO4-2+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.930E+04 2.210 4.471E+03 /
+NC4H9CHO-2+CH3O2=NC4H9CO-2+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.588E+13 -0.510 1.128E+04 /
+NC4H9CHO-2+CH3O2=C4H8CHO1-2+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.204E+05 2.040 3.751E+03 /
+NC4H9CHO-2+CH3O2=C4H8CHO2-2+CH3O2H +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.407E+13 -0.690 1.045E+04 /
+NC4H9CHO-2+CH3O2=C4H8CHO3-2+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.328E+03 2.470 3.622E+03 /
+NC4H9CHO-2+CH3O2=C4H8CHO4-2+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.204E+05 2.040 3.751E+03 /
+NC4H9CO-2=SC4H9+CO +1.527E+13 -0.090 +10650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H8CHO1-2=C2H3CHO+C2H5 +8.937E+16 -1.180 +26200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C4H8CHO1-2=C4H8-1+HCO +4.045E+16 -1.200 +26670.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C4H8CHO2-2=IC3H5CHO+CH3 +2.027E+14 -0.450 +34550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 1.060E+04 /
+C4H8CHO3-2=C4H8-2+HCO +2.801E+15 -1.060 +21570.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+C4H8CHO4-2=CH3CHCHO+C2H4 +4.387E+16 -1.470 +26490.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.130E+04 /
+IC4H9CHO+OH=IC4H9CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.623E+10 0.760 3.118E+04 /
+IC4H9CHO+OH=TC3H6CH2CHO+H2O +2.700E+09 +1.000 -149.0 ! *:_:* LLNL *:_:*
+ REV/ 1.043E+07 1.560 2.379E+04 /
+IC4H9CHO+OH=IC3H6CH2CHO+H2O +3.160E+07 +1.800 +934.0 ! *:_:* LLNL *:_:*
+ REV/ 5.174E+06 1.820 2.033E+04 /
+IC4H9CHO+OH=IC3H7CHCHO+H2O +2.900E+09 +1.000 +258.0 ! *:_:* LLNL *:_:*
+ REV/ 7.228E+10 0.740 2.915E+04 /
+IC4H9CHO+HO2=IC4H9CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.075E+13 -0.320 1.199E+04 /
+IC4H9CHO+HO2=TC3H6CH2CHO+H2O2 +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 8.276E+01 2.780 3.004E+03 /
+IC4H9CHO+HO2=IC3H6CH2CHO+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.627E+04 2.240 4.430E+03 /
+IC4H9CHO+HO2=IC3H7CHCHO+H2O2 +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.426E+06 2.010 8.942E+03 /
+IC4H9CHO+CH3O2=IC4H9CO+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.121E+13 -0.500 1.294E+04 /
+IC4H9CHO+CH3O2=TC3H6CH2CHO+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.401E+02 2.600 2.284E+03 /
+IC4H9CHO+CH3O2=IC3H6CH2CHO+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.901E+05 2.070 3.710E+03 /
+IC4H9CHO+CH3O2=IC3H7CHCHO+CH3O2H +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 5.861E+06 1.830 8.222E+03 /
+IC4H9CO=IC4H9+CO +4.416E+16 -1.000 +13350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC4H9CO=IC3H7+CH2CO +6.784E+12 +0.170 +36340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+TC3H6CH2CHO=IC4H8+HCO +1.393E+14 -0.550 +23240.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 6.000E+03 /
+IC3H6CH2CHO=C3H6+CH2CHO +1.569E+16 -1.120 +25870.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+IC3H6CH2CHO=AC3H5CHO+CH3 +1.915E+15 -0.720 +32870.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+IC3H7CHCHO=SC3H5CHO+CH3 +4.405E+15 -0.640 +32150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 1.060E+04 /
+IC5H11CHO+OH=IC5H11CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.167E+12 0.000 3.092E+04 /
+IC5H11CHO+OH=AC5H10CHO+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.031E+07 1.530 2.820E+04 /
+IC5H11CHO+OH=BC5H10CHO+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 5.634E+09 0.580 2.313E+04 /
+IC5H11CHO+OH=CC5H10CHO+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 4.277E+05 1.990 2.167E+04 /
+IC5H11CHO+OH=DC5H10CHO+H2O +2.900E+09 +1.000 +258.0 ! *:_:* LLNL *:_:*
+ REV/ 7.660E+10 0.730 2.916E+04 /
+IC5H11CHO+HO2=IC5H11CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.145E+13 -0.330 1.200E+04 /
+IC5H11CHO+HO2=AC5H10CHO+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.598E+04 2.220 4.456E+03 /
+IC5H11CHO+HO2=BC5H10CHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.589E+09 0.250 4.372E+03 /
+IC5H11CHO+HO2=CC5H10CHO+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.933E+11 0.020 8.152E+03 /
+IC5H11CHO+HO2=DC5H10CHO+H2O2 +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.511E+06 2.000 8.952E+03 /
+IC5H11CHO+CH3O2=IC5H11CO+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.392E+13 -0.510 1.295E+04 /
+IC5H11CHO+CH3O2=AC5H10CHO+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.301E+05 2.040 3.736E+03 /
+IC5H11CHO+CH3O2=BC5H10CHO+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 2.946E+02 2.620 2.264E+03 /
+IC5H11CHO+CH3O2=CC5H10CHO+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.782E+03 2.450 3.642E+03 /
+IC5H11CHO+CH3O2=DC5H10CHO+CH3O2H +9.640E+03 +2.600 +11510.0 ! *:_:* LLNL *:_:*
+ REV/ 6.211E+06 1.820 8.232E+03 /
+IC5H11CO=DC5H11+CO +3.415E+16 -1.030 +13530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC5H11CO=IC4H9+CH2CO +3.027E+16 -0.880 +38490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+AC5H10CHO=C3H6+CH2CH2CHO +2.046E+19 -1.590 +31560.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+BC5H10CHO=IC4H8+CH2CHO +5.410E+15 -1.130 +27480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+CC5H10CHO=CC5H10+HCO +3.081E+14 -0.660 +26330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+CC5H10CHO=C4H7CHO2-1+CH3 +3.343E+14 -0.560 +32520.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+DC5H10CHO=IC3H7+C2H3CHO +1.215E+16 -0.540 +33260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+C4H7CHO2-1+OH=C4H7CO2-1+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.191E+12 -0.010 3.093E+04 /
+C4H7CHO2-1+OH=C4H6CHO2-11+H2O +2.080E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 7.592E+07 1.800 3.491E+04 /
+C4H7CHO2-1+OH=C4H6CHO1-43+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.540E+08 1.670 3.310E+04 /
+C4H7CHO2-1+OH=C2H5CHO+CH2CHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.065E+09 0.490 2.428E+04 /
+C4H7CHO2-1+HO2=C4H7CO2-1+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.859E+12 -0.330 1.200E+04 /
+C4H7CHO2-1+HO2=C4H6CHO1-43+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.824E+06 1.940 1.585E+04 /
+C4H7CHO2-1+HO2=C4H6CHO2-11+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.196E+06 2.070 1.766E+04 /
+C4H7CHO2-1+CH3O2=C4H7CO2-1+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.440E+13 -0.510 1.296E+04 /
+C4H7CHO2-1+CH3O2=C4H6CHO1-43+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.396E+15 -0.840 1.827E+04 /
+C4H7CHO2-1+CH3O2=C4H6CHO2-11+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.772E+15 -0.710 2.008E+04 /
+C4H7CO2-1=C4H71-3+CO +2.943E+09 +0.540 +1710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H6CHO2-11+HO2=SC3H5CHO+HCO+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5H11CHO-2+OH=NC5H11CO-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.192E+12 -0.010 3.093E+04 /
+NC5H11CHO-2+OH=C5H10CHO1-2+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.363E+06 1.980 1.915E+04 /
+NC5H11CHO-2+OH=C5H10CHO2-2+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.205E+13 -0.180 2.992E+04 /
+NC5H11CHO-2+OH=C5H10CHO3-2+H2O +9.340E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 9.440E+05 1.980 2.186E+04 /
+NC5H11CHO-2+OH=C5H10CHO4-2+H2O +9.340E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 9.440E+05 1.980 2.186E+04 /
+NC5H11CHO-2+OH=C5H10CHO5-2+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.363E+06 1.980 1.915E+04 /
+NC5H11CHO-2+HO2=NC5H11CO-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.861E+12 -0.330 1.200E+04 /
+NC5H11CHO-2+HO2=C5H10CHO1-2+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 7.159E+04 2.210 4.462E+03 /
+NC5H11CHO-2+HO2=C5H10CHO2-2+H2O2 +1.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.248E+11 -0.510 1.116E+04 /
+NC5H11CHO-2+HO2=C5H10CHO3-2+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.770E+03 2.650 4.342E+03 /
+NC5H11CHO-2+HO2=C5H10CHO4-2+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.770E+03 2.650 4.342E+03 /
+NC5H11CHO-2+HO2=C5H10CHO5-2+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 7.159E+04 2.210 4.462E+03 /
+NC5H11CHO-2+CH3O2=NC5H11CO-2+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.587E+13 -0.510 1.128E+04 /
+NC5H11CHO-2+CH3O2=C5H10CHO1-2+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.214E+13 -0.520 6.637E+03 /
+NC5H11CHO-2+CH3O2=C5H10CHO2-2+CH3O2H +1.000E+10 +0.000 +11910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.746E+12 -0.680 1.043E+04 /
+NC5H11CHO-2+CH3O2=C5H10CHO3-2+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.812E+11 -0.130 6.764E+03 /
+NC5H11CHO-2+CH3O2=C5H10CHO4-2+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.812E+11 -0.130 6.764E+03 /
+NC5H11CHO-2+CH3O2=C5H10CHO5-2+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.214E+13 -0.520 6.637E+03 /
+NC5H11CO-2=NC3H7+CH3CHCO +3.372E+18 -1.460 +39750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C5H10CHO1-2=C5H10-1+HCO +3.451E+15 -0.800 +26680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C5H10CHO2-2=IC3H5CHO+C2H5 +1.186E+18 -1.360 +33170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+C5H10CHO3-2=C5H10-2+HCO +4.590E+15 -1.010 +26270.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C5H10CHO4-2=C3H6+CH3CHCHO +6.154E+15 -1.060 +23010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+C5H10CHO5-2=C2H4+IC3H6CHO +1.549E+18 -1.600 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC4H9COCH3+OH=IC4H9COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.765E+13 -0.700 2.767E+04 /
+IC4H9COCH3+OH=IC3H6CH2COCH3+H2O +1.510E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.780E+09 0.980 2.100E+04 /
+IC4H9COCH3+OH=IC3H7CHCOCH3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.703E+13 -0.240 2.864E+04 /
+IC4H9COCH3+OH=TC3H6CH2COCH3+H2O +5.730E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.778E+08 1.100 2.397E+04 /
+IC4H9COCH3+HO2=IC4H9COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.874E+07 1.520 9.702E+03 /
+IC4H9COCH3+HO2=IC3H6CH2COCH3+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.202E+04 2.230 4.442E+03 /
+IC4H9COCH3+HO2=IC3H7CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.393E+13 -0.560 6.100E+03 /
+IC4H9COCH3+HO2=TC3H6CH2COCH3+H2O2 +2.800E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.157E+10 0.260 8.442E+03 /
+IC4H9COCH3+CH3O2=IC4H9COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 9.740E+15 -1.210 1.187E+04 /
+IC4H9COCH3+CH3O2=IC3H6CH2COCH3+CH3O2H +6.020E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.703E+13 -0.500 6.612E+03 /
+IC4H9COCH3+CH3O2=IC3H7CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 9.832E+14 -0.740 1.193E+04 /
+IC4H9COCH3+CH3O2=TC3H6CH2COCH3+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 2.732E+02 2.630 2.254E+03 /
+IC4H9COCH2=IC4H9+CH2CO +8.291E+18 -1.520 +44360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC3H6CH2COCH3=C3H6+CH3COCH2 +3.606E+17 -1.220 +30350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC3H7CHCOCH3=IC3H5COCH3+CH3 +2.901E+16 -0.890 +34510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC3H6CH2COCH3=IC4H8+CH3CO +6.148E+17 -1.450 +31780.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+C5H10-1+OH=PC4H9+CH2O +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.040E+04 /
+C5H10-2+OH=C2H5+C2H5CHO +1.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+C5H10-2+OH=NC3H7+CH3CHO +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 2.000E+04 /
+C5H10-2+O=C3H6+CH3CHO +1.000E+10 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 8.100E+04 /
+C5H10-1+O=PC4H9+HCO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10-1+O=NC3H7+CH3CO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC4H9CHO+HO2=C4H8CHO-1+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.833E+04 2.200 4.471E+03 /
+NC4H9CHO+HO2=C4H8CHO-2+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.282E+03 2.600 4.399E+03 /
+NC4H9CHO+HO2=C4H8CHO-3+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.282E+03 2.600 4.399E+03 /
+NC4H9CHO+HO2=C4H8CHO-4+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.506E+06 2.000 1.135E+04 /
+NC4H9CHO+CH3O2=C4H8CHO-1+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.442E+13 -0.530 6.646E+03 /
+NC4H9CHO+CH3O2=C4H8CHO-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 7.106E+11 -0.180 6.821E+03 /
+NC4H9CHO+CH3O2=C4H8CHO-3+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 7.106E+11 -0.180 6.821E+03 /
+NC4H9CHO+CH3O2=C4H8CHO-4+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.498E+15 -0.770 1.377E+04 /
+IC3H7COC2H5+OH=IC3H6COC2H5+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.119E+07 1.520 2.821E+04 /
+IC3H7COC2H5+OH=TC3H6COC2H5+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 2.480E+13 -0.190 2.992E+04 /
+IC3H7COC2H5+OH=IC3H7COC2H4P+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.040E+11 -0.010 2.063E+04 /
+IC3H7COC2H5+OH=IC3H7COC2H4S+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.064E+09 1.360 2.884E+04 /
+IC3H7COC2H5+HO2=IC3H6COC2H5+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.315E+04 2.220 3.472E+03 /
+IC3H7COC2H5+HO2=TC3H6COC2H5+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 6.993E+12 -0.510 1.116E+04 /
+IC3H7COC2H5+HO2=IC3H7COC2H4P+H2O2 +1.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.670E+04 2.220 3.472E+03 /
+IC3H7COC2H5+HO2=IC3H7COC2H4S+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.994E+06 2.020 1.132E+04 /
+IC3H7COC2H5+CH3O2=IC3H6COC2H5+CH3O2H +2.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 9.945E+04 2.040 2.752E+03 /
+IC3H7COC2H5+CH3O2=TC3H6COC2H5+CH3O2H +3.610E+03 +2.550 +8032.0 ! *:_:* LLNL *:_:*
+ REV/ 1.297E+06 1.860 6.554E+03 /
+IC3H7COC2H5+CH3O2=IC3H7COC2H4P+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.998E+13 -0.510 6.627E+03 /
+IC3H7COC2H5+CH3O2=IC3H7COC2H4S+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.834E+14 -0.760 1.374E+04 /
+IC3H6COC2H5=C3H6+C2H5CO +7.391E+18 -1.590 +25680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+TC3H6COC2H5=IC3H5COC2H5+H +4.683E+17 -0.850 +43890.0 ! *:_:* LLNL *:_:*
+ REV/ 3.100E+13 0.000 1.500E+03 /
+IC3H7COC2H4P=IC3H7CO+C2H4 +1.188E+18 -1.510 +26110.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC3H7COC2H4S=CH3CHCO+IC3H7 +8.306E+16 -0.680 +40410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H5COC2H5+OH=AC3H4COC2H5+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.534E+08 1.450 3.240E+04 /
+IC3H5COC2H5+OH=IC3H5COC2H4P+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.028E+11 0.000 2.062E+04 /
+IC3H5COC2H5+OH=IC3H5COC2H4S+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 8.211E+08 1.390 2.881E+04 /
+IC3H5COC2H5+OH=CH3COCH3+C2H5CO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 6.042E+10 0.150 2.655E+04 /
+IC3H5COC2H5+HO2=AC3H4COC2H5+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.482E+06 1.720 1.514E+04 /
+IC3H5COC2H5+HO2=IC3H5COC2H4P+H2O2 +1.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.652E+04 2.220 3.467E+03 /
+IC3H5COC2H5+HO2=IC3H5COC2H4S+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.539E+06 2.060 1.129E+04 /
+IC3H5COC2H5+CH3O2=AC3H4COC2H5+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.499E+15 -1.050 1.756E+04 /
+IC3H5COC2H5+CH3O2=IC3H5COC2H4P+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.966E+13 -0.510 6.622E+03 /
+IC3H5COC2H5+CH3O2=IC3H5COC2H4S+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 7.591E+14 -0.720 1.371E+04 /
+AC3H4COC2H5=C3H4-A+C2H5CO +8.689E+23 -2.930 +57300.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+IC3H5COC2H4P=C2H4+IC3H5CO +2.874E+16 -1.240 +18830.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC3H5COC2H4S=CH3CHCO+C3H5-T +1.418E+21 -1.910 +55640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H7COCH3+OH=IC3H6COCH3+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.784E+07 1.460 2.827E+04 /
+IC3H7COCH3+OH=TC3H6COCH3+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 2.420E+13 -0.180 2.992E+04 /
+IC3H7COCH3+OH=IC3H7COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 8.225E+13 -0.730 2.770E+04 /
+IC3H7COCH3+HO2=IC3H6COCH3+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 5.086E+04 2.160 3.532E+03 /
+IC3H7COCH3+HO2=TC3H6COCH3+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 6.824E+12 -0.510 1.116E+04 /
+IC3H7COCH3+HO2=IC3H7COCH2+H2O2 +1.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.321E+07 1.490 1.054E+04 /
+IC3H7COCH3+CH3O2=IC3H6COCH3+CH3O2H +2.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.526E+05 1.980 2.812E+03 /
+IC3H7COCH3+CH3O2=TC3H6COCH3+CH3O2H +3.610E+03 +2.550 +8032.0 ! *:_:* LLNL *:_:*
+ REV/ 1.265E+06 1.860 6.554E+03 /
+IC3H7COCH3+CH3O2=IC3H7COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.184E+16 -1.230 1.190E+04 /
+TC3H6COCH3+O2=CH3COCH3+CH2CO+OH +3.620E+10 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC3H6COCH3+O2=IC3H5COCH3+HO2 +2.725E+11 +0.000 +7240.0 ! *:_:* LLNL *:_:*
+ REV/ 6.631E+09 0.170 1.482E+04 /
+TC3H6COCH3=IC3H5COCH3+H +1.830E+17 -0.840 +43940.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+13 0.000 1.560E+03 /
+TC3H6COCH3=IC3H6CO+CH3 +2.440E+15 -0.420 +41500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.230E+11 0.000 1.060E+04 /
+IC3H7COCH2=IC3H7+CH2CO +2.880E+15 -0.540 +39940.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+IC3H6COCH3=C3H6+CH3CO +5.490E+18 -1.580 +27960.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+C5H91-2=C3H4-A+C2H5 +6.182E+18 -1.610 +32160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 7.800E+03 /
+IC5H8=C3H5-T+C2H3 +3.464E+26 -2.610 +116300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+IC5H8+O2=IC5H7+HO2 +3.000E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.168E+12 -0.280 1.800E+01 /
+IC5H8+H=IC5H7+H2 +1.700E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 6.763E+06 1.890 2.009E+04 /
+IC5H8+O=IC5H7+OH +6.030E+10 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+ REV/ 1.054E+12 0.090 2.314E+04 /
+IC5H8+OH=IC5H7+H2O +2.600E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 4.478E+08 1.390 3.246E+04 /
+IC5H8+CH3=IC5H7+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 3.692E+02 3.080 2.287E+04 /
+IC5H8+HO2=IC5H7+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 9.856E+06 1.660 1.520E+04 /
+IC5H8+CH3O2=IC5H7+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.987E+07 1.490 1.197E+04 /
+IC5H7=C3H4-A+C2H3 +2.850E+15 -0.180 +73840.0 ! *:_:* LLNL *:_:*
+ REV/ 1.890E+03 2.480 8.520E+03 /
+IC5H7+HO2=IC5H7O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.643E+13 -0.200 1.248E+04 /
+IC5H7+CH3O2=IC5H7O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.044E+11 0.350 1.592E+04 /
+IC5H7O=C4H5+CH2O +1.575E+21 -2.250 +32480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC4H7-I1=C3H4-P+CH3 +2.103E+12 +0.080 +29950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+C7H16-24=XC7H15+H +6.734E+16 -0.357 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C7H16-24=YC7H15+H +2.631E+18 -0.878 +96690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C7H16-24=ZC7H15+H +9.926E+17 -0.697 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+C7H16-24=DC6H13+CH3 +2.330E+24 -2.245 +89140.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+C7H16-24=IC3H7+IC4H9 +2.401E+25 -2.552 +88320.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+C7H16-24+H=XC7H15+H2 +3.760E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 8.049E+01 3.383 8.612E+03 /
+C7H16-24+H=YC7H15+H2 +1.204E+06 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 6.597E+00 3.554 9.453E+03 /
+C7H16-24+H=ZC7H15+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.888E+01 3.373 9.324E+03 /
+C7H16-24+CH3=XC7H15+CH4 +1.814E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 3.544E-01 3.837 1.103E+04 /
+C7H16-24+CH3=YC7H15+CH4 +1.202E-09 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 6.011E-12 7.068 9.303E+03 /
+C7H16-24+CH3=ZC7H15+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.113E+03 2.660 1.397E+04 /
+C7H16-24+C2H5=XC7H15+C2H6 +2.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+C7H16-24+C2H5=YC7H15+C2H6 +2.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+C7H16-24+C2H5=ZC7H15+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+C7H16-24+O=XC7H15+OH +5.394E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 6.061E+03 2.647 6.056E+03 /
+C7H16-24+O=YC7H15+OH +7.936E+05 +2.401 +1150.0 ! *:_:* LLNL *:_:*
+ REV/ 2.283E+00 3.535 6.608E+03 /
+C7H16-24+O=ZC7H15+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.532E+00 3.392 6.287E+03 /
+C7H16-24+OH=XC7H15+H2O +2.108E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 4.801E+07 1.497 1.881E+04 /
+C7H16-24+OH=YC7H15+H2O +1.146E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.170E+11 0.510 2.160E+04 /
+C7H16-24+OH=ZC7H15+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.395E+05 1.940 2.191E+04 /
+C7H16-24+HO2=XC7H15+H2O2 +1.620E+05 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.007E+04 2.438 3.022E+03 /
+C7H16-24+HO2=YC7H15+H2O2 +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 4.758E+01 2.959 3.129E+03 /
+C7H16-24+HO2=ZC7H15+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.943E+02 2.778 3.715E+03 /
+C7H16-24+CH3O=XC7H15+CH3OH +6.400E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+C7H16-24+CH3O=YC7H15+CH3OH +3.800E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+C7H16-24+CH3O=ZC7H15+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+C7H16-24+O2=XC7H15+HO2 +8.400E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 9.433E+10 0.285 4.480E+02 /
+C7H16-24+O2=YC7H15+HO2 +1.400E+13 +0.000 +48000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.024E+08 0.806 1.860E+02 /
+C7H16-24+O2=ZC7H15+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.067E+09 0.625 3.190E+02 /
+C7H16-24+C2H3=XC7H15+C2H4 +2.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+C7H16-24+C2H3=YC7H15+C2H4 +4.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 2.300E+04 /
+C7H16-24+C2H3=ZC7H15+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+C7H16-24+CH3O2=XC7H15+CH3O2H +1.620E+05 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.905E+05 1.993 1.427E+03 /
+C7H16-24+CH3O2=YC7H15+CH3O2H +1.500E+04 +2.500 +12260.0 ! *:_:* LLNL *:_:*
+ REV/ 9.256E+02 2.514 1.534E+03 /
+C7H16-24+CH3O2=ZC7H15+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.616E+03 2.333 2.120E+03 /
+C7H16-24+XC7H15O2=XC7H15+XC7H15O2H +3.360E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+YC7H15O2=XC7H15+YC7H15O2H +3.360E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+ZC7H15O2=XC7H15+ZC7H15O2H +3.360E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+XC7H15O2=YC7H15+XC7H15O2H +5.600E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+YC7H15O2=YC7H15+YC7H15O2H +5.600E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+ZC7H15O2=YC7H15+ZC7H15O2H +5.600E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+XC7H15O2=ZC7H15+XC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+YC7H15O2=ZC7H15+YC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+ZC7H15O2=ZC7H15+ZC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C7H16-24+XC7H15=YC7H15+C7H16-24 +3.360E+13 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+12 0.000 1.230E+04 /
+C7H16-24+XC7H15=ZC7H15+C7H16-24 +5.600E+12 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.600E+11 0.000 1.230E+04 /
+C7H16-24+YC7H15=ZC7H15+C7H16-24 +5.600E+12 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.300E+11 0.000 7.900E+03 /
+C7H16-24+O2CHO=XC7H15+HO2CHO +3.360E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 2.293E+03 2.300 3.057E+03 /
+C7H16-24+O2CHO=YC7H15+HO2CHO +5.600E+12 +0.000 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 9.781E+00 2.820 3.173E+03 /
+C7H16-24+O2CHO=ZC7H15+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.592E+01 2.640 2.829E+03 /
+XC7H15=C3H6+IC4H9 +8.429E+20 -2.220 +32420.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+XC7H15=DC6H12+CH3 +2.009E+19 -1.803 +33330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+XC7H15=XC7H14+H +5.612E+14 -0.291 +34450.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+YC7H15=IC3H7+IC4H8 +2.220E+20 -2.060 +32470.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 9.200E+03 /
+YC7H15=XC7H14+H +1.437E+13 +0.230 +37690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 1.200E+03 /
+YC7H15=YC7H14+H +3.093E+13 +0.049 +36390.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+ZC7H15=CC6H12+CH3 +2.906E+18 -1.641 +33250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+ZC7H15=YC7H14+H +8.198E+13 -0.132 +34370.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+XC7H15+O2=XC7H14+HO2 +1.500E-29 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+YC7H15+O2=XC7H14+HO2 +6.000E-29 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+YC7H15+O2=YC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+ZC7H15+O2=YC7H14+HO2 +3.000E-29 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+XC7H15=YC7H15 +3.708E+11 +0.000 +23720.0 ! *:_:* LLNL *:_:*
+ REV/ 9.491E+09 0.521 2.826E+04 /
+XC7H14=IC3H7+IC4H7 +2.211E+24 -2.392 +74670.0 ! *:_:* LLNL *:_:*
+ REV/ 1.280E+14 -0.350 0.000E+00 /
+YC7H14=CH3+CC6H11-B +4.469E+22 -2.128 +75430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.930E+14 -0.320 0.000E+00 /
+XC7H15+HO2=XC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.510E+14 -0.475 2.604E+04 /
+YC7H15+HO2=YC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.414E+18 -1.326 2.840E+04 /
+ZC7H15+HO2=ZC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.777E+17 -1.178 2.810E+04 /
+XC7H15+CH3O2=XC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.323E+13 -0.176 3.028E+04 /
+YC7H15+CH3O2=YC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.510E+17 -1.027 3.264E+04 /
+ZC7H15+CH3O2=ZC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.865E+16 -0.879 3.234E+04 /
+XC7H14+OH=CH2O+DC6H13 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14+OH=CH3COCH3+IC4H9 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14+OH=CH3COCH3+IC4H9 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14+O=CH2O+CC6H12 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14+O=CH3COCH3+IC4H8 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14+H=XC7H13-X1+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 7.047E+06 1.890 2.013E+04 /
+XC7H14+H=XC7H13-Z+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.418E+06 2.100 2.037E+04 /
+XC7H14+H=XC7H13-Y2+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 4.739E+02 2.970 1.118E+04 /
+XC7H14+H=XC7H13-X2+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.881E+04 2.520 1.108E+04 /
+XC7H14+OH=XC7H13-X1+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.503E+08 1.390 3.250E+04 /
+XC7H14+OH=XC7H13-Z+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.566E+06 2.380 3.340E+04 /
+XC7H14+OH=XC7H13-Y2+H2O +5.733E+10 +0.510 +63.0 ! *:_:* LLNL *:_:*
+ REV/ 1.954E+08 1.080 2.382E+04 /
+XC7H14+OH=XC7H13-X2+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.361E+09 0.950 2.106E+04 /
+XC7H14+CH3=XC7H13-X1+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 2.352E+03 2.890 2.380E+04 /
+XC7H14+CH3=XC7H13-Z+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.262E+03 3.050 2.464E+04 /
+XC7H14+CH3=XC7H13-Y2+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 1.236E-11 6.940 9.973E+03 /
+XC7H14+CH3=XC7H13-X2+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.222E+00 3.630 1.195E+04 /
+XC7H14+HO2=XC7H13-X1+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.009E+07 1.660 1.524E+04 /
+XC7H14+HO2=XC7H13-Z+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.621E+06 1.960 1.438E+04 /
+XC7H14+HO2=XC7H13-Y2+H2O2 +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 7.304E+01 2.800 2.824E+03 /
+XC7H14+HO2=XC7H13-X2+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.330E+04 2.200 4.506E+03 /
+XC7H14+CH3O2=XC7H13-X1+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.101E+07 1.490 1.222E+04 /
+XC7H14+CH3O2=XC7H13-Z+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.376E+06 1.790 1.136E+04 /
+XC7H14+CH3O2=XC7H13-Y2+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+02 2.620 -1.960E+02 /
+XC7H14+CH3O2=XC7H13-X2+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.318E+05 2.030 1.486E+03 /
+XC7H14+CH3O=XC7H13-X1+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.767E+03 2.360 2.790E+04 /
+XC7H14+CH3O=XC7H13-Z+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.524E+02 2.660 2.704E+04 /
+XC7H14+CH3O=XC7H13-Y2+CH3OH +2.290E+10 +0.000 +2873.0 ! *:_:* LLNL *:_:*
+ REV/ 8.692E+06 0.600 9.743E+03 /
+XC7H14+CH3O=XC7H13-X2+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 1.083E+10 0.000 9.048E+03 /
+YC7H14+H=XC7H13-Z+H2 +3.460E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 9.749E+06 2.060 2.005E+04 /
+YC7H14+H=YC7H13-Y2+H2 +2.650E+06 +2.200 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.836E+07 2.140 2.229E+04 /
+YC7H14+H=YC7H13-X2+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 6.176E+04 2.540 1.108E+04 /
+YC7H14+OH=XC7H13-Z+H2O +6.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 7.613E+08 1.560 3.242E+04 /
+YC7H14+OH=YC7H13-Y2+H2O +6.140E+02 +3.200 -3500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.842E+04 3.140 3.394E+04 /
+YC7H14+OH=YC7H13-X2+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.119E+09 0.970 2.106E+04 /
+XC7H13-X1=C3H4-A+IC4H9 +8.708E+21 -2.430 +59530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+XC7H13-Z=ACC6H10+CH3 +2.837E+16 -0.830 +41230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+XC7H13-Z+HO2=XC7H13O-Z+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.406E+14 -0.730 1.538E+04 /
+XC7H13-Z+CH3O2=XC7H13O-Z+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.280E+16 -1.310 2.014E+04 /
+XC7H13-Z+C2H5O2=XC7H13O-Z+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.456E+13 -0.380 1.798E+04 /
+XC7H13-Y2=IC4H8+C3H5-T +6.321E+18 -1.800 +43600.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 8.800E+03 /
+XC7H13-X2=C3H6+IC4H7 +2.096E+16 -1.090 +17820.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 9.200E+03 /
+YC7H13-Y2+HO2=YC7H13O-Y2+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.111E+15 -0.970 1.700E+04 /
+YC7H13-Y2+CH3O2=YC7H13O-Y2+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+17 -1.550 2.176E+04 /
+YC7H13-Y2+C2H5O2=YC7H13O-Y2+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.350E+14 -0.620 1.961E+04 /
+YC7H13-X2=C3H6+IC4H7-I1 +1.226E+18 -1.370 +43840.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 9.200E+03 /
+XC7H13O-Z=IC3H7CHO+C3H5-T +7.521E+21 -2.400 +30190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H13O-Y2=CH3COCH3+IC4H7-I1 +1.310E+18 -1.300 +29420.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+XC7H15O2=XC7H15+O2 +1.247E+20 -1.608 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+YC7H15O2=YC7H15+O2 +3.408E+23 -2.448 +37210.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+ZC7H15O2=ZC7H15+O2 +2.969E+22 -2.221 +37940.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+12 0.000 0.000E+00 /
+XC7H15+XC7H15O2=2XC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.743E+13 -0.134 2.975E+04 /
+XC7H15+YC7H15O2=XC7H15O+YC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.889E+13 -0.145 3.056E+04 /
+XC7H15+ZC7H15O2=XC7H15O+ZC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.242E+13 -0.224 2.954E+04 /
+YC7H15+XC7H15O2=YC7H15O+XC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.780E+16 -0.985 3.210E+04 /
+YC7H15+YC7H15O2=2YC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.358E+16 -0.996 3.291E+04 /
+YC7H15+ZC7H15O2=YC7H15O+ZC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.487E+17 -1.075 3.189E+04 /
+ZC7H15+XC7H15O2=ZC7H15O+XC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.507E+16 -0.837 3.181E+04 /
+ZC7H15+YC7H15O2=ZC7H15O+YC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.727E+16 -0.848 3.262E+04 /
+ZC7H15+ZC7H15O2=2ZC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.790E+16 -0.927 3.160E+04 /
+XC7H15O2+HO2=XC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.735E+13 -0.792 3.361E+04 /
+YC7H15O2+HO2=YC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.785E+13 -0.793 3.361E+04 /
+ZC7H15O2+HO2=ZC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.888E+13 -0.832 3.363E+04 /
+XC7H15O2+H2O2=XC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+YC7H15O2+H2O2=YC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+ZC7H15O2+H2O2=ZC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+XC7H15O2+CH3O2=XC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H15O2+CH3O2=YC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H15O2+CH3O2=ZC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2XC7H15O2=O2+2XC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H15O2+YC7H15O2=XC7H15O+YC7H15O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H15O2+ZC7H15O2=XC7H15O+ZC7H15O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2YC7H15O2=O2+2YC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H15O2+ZC7H15O2=YC7H15O+ZC7H15O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2ZC7H15O2=O2+2ZC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H15O2H=XC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.065E+07 1.925 -6.512E+03 /
+YC7H15O2H=YC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.403E+07 1.915 -5.702E+03 /
+ZC7H15O2H=ZC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.015E+07 1.875 -6.742E+03 /
+XC7H15O=DC6H13+CH2O +3.974E+22 -2.629 +24500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H15O=IC4H9+CH3COCH3 +8.190E+23 -2.926 +18020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+ZC7H15O=IC3H7+IC3H7CHO +2.632E+24 -3.011 +21010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+XC7H15O2=XC7H14OOH-X1 +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.134E+10 -0.509 8.940E+03 /
+XC7H15O2=XC7H14OOH-Y1 +1.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.063E+09 0.071 1.293E+04 /
+XC7H15O2=XC7H14OOH-Z +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.938E+09 -0.123 7.860E+03 /
+XC7H15O2=XC7H14OOH-Y2 +1.563E+09 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.224E+07 0.071 5.880E+03 /
+XC7H15O2=XC7H14OOH-X2 +1.172E+09 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 2.855E+09 -0.509 1.009E+04 /
+YC7H15O2=YC7H14OOH-X1 +6.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.457E+12 -0.508 1.394E+04 /
+YC7H15O2=YC7H14OOH-Z +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.114E+10 -0.108 1.384E+04 /
+YC7H15O2=YC7H14OOH-Y2 +1.250E+10 +0.000 +19100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.789E+08 0.061 7.940E+03 /
+YC7H15O2=YC7H14OOH-X2 +9.376E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.277E+10 -0.508 6.890E+03 /
+ZC7H15O2=ZC7H14OOH-X +1.500E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.104E+11 -0.557 8.970E+03 /
+ZC7H15O2=ZC7H14OOH-Y +2.000E+11 +0.000 +24100.0 ! *:_:* LLNL *:_:*
+ REV/ 8.110E+09 -0.031 1.299E+04 /
+XC7H15O2=XC7H14+HO2 +4.530E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.593E+27 -5.393 2.074E+04 /
+YC7H15O2=XC7H14+HO2 +1.015E+43 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.387E+32 -7.264 1.666E+04 /
+YC7H15O2=YC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.817E+27 -5.783 1.826E+04 /
+ZC7H15O2=YC7H14+HO2 +9.060E+35 -7.220 +39490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.562E+25 -4.939 1.855E+04 /
+XC7H14OOH-X1=X-X1C7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Y1=X-Y1C7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Z=X-ZC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Y2=X-Y2C7H14O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-X2=X-X2C7H14O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-X1=X-Y1C7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-Z=Y-ZC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-Y2=Y-YC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-X2=X-Y2C7H14O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H14OOH-X=X-ZC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H14OOH-Y=Y-ZC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Y1=XC7H14+HO2 +3.375E+18 -1.756 +19480.0 ! *:_:* LLNL *:_:*
+ REV/ 5.754E+11 0.000 1.190E+04 /
+YC7H14OOH-X1=XC7H14+HO2 +4.188E+22 -2.654 +21270.0 ! *:_:* LLNL *:_:*
+ REV/ 5.754E+11 0.000 1.190E+04 /
+YC7H14OOH-Z=YC7H14+HO2 +9.834E+20 -2.435 +18730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.442E+11 0.000 9.512E+03 /
+ZC7H14OOH-Y=YC7H14+HO2 +1.161E+20 -2.312 +19340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.442E+11 0.000 9.512E+03 /
+XC7H14OOH-X1=OH+CH2O+DC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-Z=OH+CH2O+CC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OOH-Y2=OH+CH3COCH3+IC4H8 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ZC7H14OOH-X=OH+IC3H7CHO+C3H6 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OOH-X1O2=XC7H14OOH-X1+O2 +1.663E+20 -1.645 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+XC7H14OOH-Y1O2=XC7H14OOH-Y1+O2 +1.325E+24 -2.539 +37500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+XC7H14OOH-ZO2=XC7H14OOH-Z+O2 +2.580E+22 -2.296 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+12 0.000 0.000E+00 /
+XC7H14OOH-Y2O2=XC7H14OOH-Y2+O2 +1.325E+24 -2.539 +37500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+XC7H14OOH-X2O2=XC7H14OOH-X2+O2 +1.663E+20 -1.645 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+YC7H14OOH-X1O2=YC7H14OOH-X1+O2 +1.608E+20 -1.641 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+YC7H14OOH-ZO2=YC7H14OOH-Z+O2 +2.560E+22 -2.294 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+12 0.000 0.000E+00 /
+YC7H14OOH-Y2O2=YC7H14OOH-Y2+O2 +1.203E+24 -2.526 +37480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+YC7H14OOH-X2O2=YC7H14OOH-X2+O2 +1.608E+20 -1.641 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+ZC7H14OOH-XO2=ZC7H14OOH-X+O2 +5.517E+19 -1.589 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+ZC7H14OOH-YO2=ZC7H14OOH-Y+O2 +2.890E+23 -2.417 +37410.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+12 0.000 0.000E+00 /
+XC7H14OOH-X1O2=C7KET24XX1+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.833E+03 1.460 4.442E+04 /
+XC7H14OOH-Y1O2=C7KET24XY1+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.315E+04 1.258 4.872E+04 /
+XC7H14OOH-ZO2=C7KET24XZ+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.977E+03 1.398 4.447E+04 /
+XC7H14OOH-Y2O2=C7KET24XY2+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.666E+02 1.445 4.238E+04 /
+XC7H14OOH-X2O2=C7KET24XX2+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.006E+01 1.460 4.557E+04 /
+ZC7H14OOH-XO2=C7KET24ZX+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.171E+02 1.730 4.361E+04 /
+ZC7H14OOH-YO2=C7KET24ZY+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.319E+04 1.481 4.900E+04 /
+C7KET24XX1=CH2O+DC5H10CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XY1=IC4H9COCH3+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XZ=IC3H7CHO+CH3CHCHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XY2=CH3COCH3+IC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24XX2=CH2O+C5H10CHO5-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24ZX=CH2O+IC3H7COC2H4S+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C7KET24ZY=CH3COCH3+IC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+OH=DC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+OH=IC3H5CHO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+OH=CC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+OH=IC4H8+CH3CHCHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+OH=C3H6+IC3H6CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+OH=CH3COCH3+IC4H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+OH=IC3H5CHO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+OH=CH2O+DC6H11-C+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+OH=IC4H8+CH3COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+OH=C3H6+IC3H7CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+OH=CH3COCH3+IC4H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+OH=CH2O+AC6H11-D+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+OH=CH3COCH3+IC4H7-I1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+OH=IC3H6CO+IC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+HO2=DC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+HO2=IC3H5CHO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+HO2=CC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+HO2=IC4H8+CH3CHCHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+HO2=C3H6+IC3H6CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+HO2=CH3COCH3+IC4H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+HO2=IC3H5CHO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X1C7H14O+HO2=CH2O+DC6H11-C+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y1C7H14O+HO2=IC4H8+CH3COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-ZC7H14O+HO2=C3H6+IC3H7CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-Y2C7H14O+HO2=CH3COCH3+IC4H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+X-X2C7H14O+HO2=CH2O+AC6H11-D+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-YC7H14O+HO2=CH3COCH3+IC4H7-I1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+Y-ZC7H14O+HO2=IC3H6CO+IC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+XC7H14OH=XC7H14+OH +6.818E+13 -0.300 +28150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+XO2C7H14OH=XC7H14OH+O2 +2.264E+22 -2.160 +37130.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+XO2C7H14OH=IC4H9COCH3+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+YC7H14OH=YC7H14+OH +1.906E+16 -0.860 +30050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+YO2C7H14OH=YC7H14OH+O2 +4.837E+21 -2.130 +37100.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+YO2C7H14OH=IC3H7CHO+CH3COCH3+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+ACC6H10+OH=ACC6H9-A+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.491E+08 1.390 3.246E+04 /
+ACC6H10+OH=ACC6H9-D+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.491E+08 1.390 3.246E+04 /
+ACC6H10+HO2=ACC6H9-A+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.007E+07 1.660 1.521E+04 /
+ACC6H10+HO2=ACC6H9-D+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.007E+07 1.660 1.521E+04 /
+ACC6H10+CH3O2=ACC6H9-A+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.139E+07 1.490 1.449E+04 /
+ACC6H10+CH3O2=ACC6H9-D+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 4.139E+07 1.490 1.449E+04 /
+ACC6H9-A=C3H4-A+C3H5-S +1.194E+24 -2.850 +74310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+ACC6H9-D+HO2=IC3H5CHO+C2H3+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H12+H=NEOC5H11+H2 +9.788E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 4.420E-01 3.982 9.641E+03 /
+NEOC5H12+O=NEOC5H11+OH +1.140E+04 +3.050 +3123.0 ! *:_:* LLNL *:_:*
+ REV/ 2.672E-03 4.245 3.205E+03 /
+NEOC5H12+OH=NEOC5H11+H2O +3.162E+07 +1.800 +298.1 ! *:_:* LLNL *:_:*
+ REV/ 1.514E+02 2.908 1.668E+04 /
+NEOC5H12+CH3=NEOC5H11+CH4 +5.680E-14 +8.060 +4150.0 ! *:_:* LLNL *:_:*
+ REV/ 2.340E-17 8.828 7.184E+03 /
+NEOC5H12+HO2=NEOC5H11+H2O2 +8.160E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.132E-02 4.109 2.654E+03 /
+NEOC5H12+CH3O=NEOC5H11+CH3OH +6.400E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC5H12+O2=NEOC5H11+HO2 +4.950E+13 +0.000 +49000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.172E+08 0.866 -4.195E+03 /
+NEOC5H12+C2H5=NEOC5H11+C2H6 +2.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC5H12+C2H3=NEOC5H11+C2H4 +2.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC5H12+O2CHO=NEOC5H11+HO2CHO +7.200E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.081E+03 2.518 3.125E+03 /
+NEOC5H12+CH3O2=NEOC5H11+CH3O2H +8.160E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 4.148E-01 3.664 1.059E+03 /
+IC4H6OH+NEOC5H12=IC4H7OH+NEOC5H11 +9.400E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 5.077E-01 3.740 7.668E+03 /
+IC4H7O+NEOC5H12=IC4H7OH+NEOC5H11 +5.400E+11 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 9.000E+03 /
+TC3H6CHO+NEOC5H12=IC3H7CHO+NEOC5H11 +9.400E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 7.159E+01 3.220 9.819E+03 /
+NEOC5H12+CH2CCH2OH=NEOC5H11+C3H5OH +1.590E+12 +0.000 +20500.0 ! *:_:* LLNL *:_:*
+ REV/ 4.968E+11 -0.220 2.962E+04 /
+NEOC5H11=IC4H8+CH3 +8.466E+17 -1.111 +32930.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+03 2.480 8.520E+03 /
+NEOC5H11+HO2=NEOC5H11O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.447E+11 0.802 2.490E+04 /
+NEOC5H11+CH3O2=NEOC5H11O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.052E+09 1.101 2.914E+04 /
+NEOC5H11O2=NEOC5H11+O2 +9.747E+20 -2.437 +34530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+17 -2.100 0.000E+00 /
+NEOC5H11O2+NEOC5H12=NEOC5H11O2H+NEOC5H11 +2.419E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC5H11+NEOC5H11O2=2NEOC5H11O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.468E+09 1.149 2.861E+04 /
+NEOC5H11O2+HO2=NEOC5H11O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.841E+13 -0.795 3.362E+04 /
+NEOC5H11O2+H2O2=NEOC5H11O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+NEOC5H11O2+CH3O2=NEOC5H11O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2NEOC5H11O2=O2+2NEOC5H11O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H11O2H=NEOC5H11O+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.885E+07 1.935 -3.022E+03 /
+NEOC5H11O=CH2O+TC4H9 +2.649E+25 -3.248 +23930.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.000 1.190E+04 /
+NEOC5H11O2=NEOC5H10OOH +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.144E+10 -0.509 8.950E+03 /
+NEOC5H10OOH=NEO-C5H10O+OH +2.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H10OOH=OH+CH2O+IC4H8 +3.011E+17 -1.170 +29950.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC5H10OOH=IC4H7OOH+CH3 +9.027E+21 -2.341 +32830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.010E+04 /
+NEOC5H10OOH-O2=NEOC5H10OOH+O2 +1.366E+25 -3.736 +35700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.990E+17 -2.100 0.000E+00 /
+NEOC5H10OOH-O2=NEOC5H9Q2 +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.757E+11 -0.504 8.940E+03 /
+NEOC5H10OOH-O2=NEOC5H9Q2-N +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.436E+10 -0.513 1.096E+04 /
+NEOC5H9Q2=IC4H7OOH+CH2O2H +7.093E+19 -1.600 +35540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H9Q2=IC4H6Q2-II+CH3 +2.193E+16 -0.710 +32650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H9Q2-N=NEOC5KET+OH +9.000E+14 +0.000 +1500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.668E+09 1.580 3.188E+04 /
+NEOC5KET=NEOC5KETOX+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.009E+09 1.510 -4.125E+03 /
+NEOC5KETOX=TC3H6CHO+CH2O +2.475E+21 -2.540 +15830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+NEOC5KETOX=NEOC5KEJOL +2.000E+11 +0.000 +7600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.541E+09 0.430 2.227E+04 /
+NEOC5KEJOL=IC4H8OH+CO +2.273E+21 -2.340 +11020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 4.800E+03 /
+IC4H6Q2-II=C3H4-A+CH2O+HO2+OH +1.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+OH=TC4H8CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+OH=IC4H7+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+HO2=TC4H8CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+HO2=IC4H7+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+H=TC4H8CHO+H2 +3.544E+07 +2.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O+H=IC4H7+CH2O+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEO-C5H10O=IC4H8+CH2O +3.800E+15 +0.000 +60700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.152E+04 1.990 5.973E+04 /
+NEOC6H14=BC5H11+CH3 +5.738E+26 -2.771 +88400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC6H14=TC4H9+C2H5 +1.352E+28 -3.224 +87450.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC6H14=NEOC5H11+CH3 +1.056E+18 -0.468 +88090.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC6H14=FC6H13+H +2.047E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC6H14=GC6H13+H +1.128E+18 -0.714 +98730.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC6H14=HC6H13+H +6.835E+16 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC6H14+H=FC6H13+H2 +9.788E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 6.892E+01 3.404 1.048E+04 /
+NEOC6H14+H=GC6H13+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.661E+01 3.390 9.304E+03 /
+NEOC6H14+H=HC6H13+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.982E+01 3.386 8.612E+03 /
+NEOC6H14+O=FC6H13+OH +4.046E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 1.496E+03 2.650 6.056E+03 /
+NEOC6H14+O=GC6H13+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 3.987E+00 3.409 6.267E+03 /
+NEOC6H14+O=HC6H13+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.158E+02 3.040 5.686E+03 /
+NEOC6H14+OH=FC6H13+H2O +2.372E+07 +1.800 +298.1 ! *:_:* LLNL *:_:*
+ REV/ 1.777E+04 2.330 1.752E+04 /
+NEOC6H14+OH=GC6H13+H2O +4.700E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.388E+03 2.494 1.969E+04 /
+NEOC6H14+OH=HC6H13+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.183E+07 1.500 1.881E+04 /
+NEOC6H14+CH3=FC6H13+CH4 +1.356E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.715E-02 3.840 1.103E+04 /
+NEOC6H14+CH3=GC6H13+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 9.794E+02 2.677 1.395E+04 /
+NEOC6H14+CH3=HC6H13+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.701E-02 3.840 1.103E+04 /
+NEOC6H14+HO2=FC6H13+H2O2 +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 3.302E+03 2.441 3.012E+03 /
+NEOC6H14+HO2=GC6H13+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.348E+02 2.795 3.695E+03 /
+NEOC6H14+HO2=HC6H13+H2O2 +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.944E+03 2.441 3.022E+03 /
+NEOC6H14+CH3O=FC6H13+CH3OH +4.800E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC6H14+CH3O=GC6H13+CH3OH +1.090E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+NEOC6H14+CH3O=HC6H13+CH3OH +1.600E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC6H14+O2=FC6H13+HO2 +6.300E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.327E+10 0.288 4.480E+02 /
+NEOC6H14+O2=GC6H13+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 9.382E+08 0.642 2.990E+02 /
+NEOC6H14+O2=HC6H13+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.323E+10 0.288 4.480E+02 /
+NEOC6H14+C2H5=FC6H13+C2H6 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC6H14+C2H5=GC6H13+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NEOC6H14+C2H5=HC6H13+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC6H14+C2H3=FC6H13+C2H4 +1.500E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC6H14+C2H3=GC6H13+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NEOC6H14+C2H3=HC6H13+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC6H14+CH3O2=FC6H13+CH3O2H +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 6.423E+04 1.996 1.417E+03 /
+NEOC6H14+CH3O2=GC6H13+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 8.459E+03 2.350 2.100E+03 /
+NEOC6H14+CH3O2=HC6H13+CH3O2H +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.619E+04 1.996 1.427E+03 /
+NEOC6H14+FC6H13=GC6H13+NEOC6H14 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC6H14+FC6H13=HC6H13+NEOC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC6H14+GC6H13=HC6H13+NEOC6H14 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+FC6H13O2+NEOC6H14=FC6H13O2H+FC6H13 +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+GC6H13O2+NEOC6H14=GC6H13O2H+FC6H13 +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+HC6H13O2+NEOC6H14=HC6H13O2H+FC6H13 +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+FC6H13O2+NEOC6H14=FC6H13O2H+GC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+GC6H13O2+NEOC6H14=GC6H13O2H+GC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+HC6H13O2+NEOC6H14=HC6H13O2H+GC6H13 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+FC6H13O2+NEOC6H14=FC6H13O2H+HC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+GC6H13O2+NEOC6H14=GC6H13O2H+HC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+HC6H13O2+NEOC6H14=HC6H13O2H+HC6H13 +6.048E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC6H14+O2CHO=FC6H13+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.657E+02 2.300 3.057E+03 /
+NEOC6H14+O2CHO=GC6H13+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.280E+01 2.650 2.809E+03 /
+NEOC6H14+O2CHO=HC6H13+HO2CHO +8.400E+12 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.647E+02 2.300 3.057E+03 /
+FC6H13=IC4H8+C2H5 +6.342E+22 -2.671 +32750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+GC6H13=BC5H10+CH3 +4.529E+20 -2.080 +33830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+GC6H13=NEOC6H12+H +6.322E+12 +0.088 +37830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 1.200E+03 /
+HC6H13=C2H4+TC4H9 +5.461E+23 -2.984 +30610.0 ! *:_:* LLNL *:_:*
+ REV/ 1.700E+11 0.000 8.300E+03 /
+HC6H13=NEOC6H12+H +1.044E+14 -0.266 +37030.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.900E+03 /
+GC6H13+O2=NEOC6H12+HO2 +4.500E-29 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+HC6H13+O2=NEOC6H12+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+FC6H13=HC6H13 +3.000E+11 +0.000 +21100.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+11 0.000 2.110E+04 /
+NEOC6H12=CH3+CC5H9-B +1.532E+23 -2.199 +74190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 0.000E+00 /
+NEOC6H12+OH=NEOC6H11+H2O +3.000E+13 +0.000 +1230.0 ! *:_:* LLNL *:_:*
+ REV/ 9.796E+10 0.584 1.048E+04 /
+NEOC6H12+H=NEOC6H11+H2 +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.135E+10 0.690 -1.740E+03 /
+NEOC6H12+CH3=NEOC6H11+CH4 +1.000E+12 +0.000 +7300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.801E+11 0.244 3.200E+03 /
+NEOC6H12+O=NEOC6H11+OH +4.345E+15 -0.670 +36950.0 ! *:_:* LLNL *:_:*
+ REV/ 7.000E+11 0.000 2.990E+04 /
+NEOC6H12+OH=NEOC5H11+CH2O +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6H12+O=NEOC5H11+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6H11=IC4H8+C2H3 +4.792E+17 -1.230 +29640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 1.060E+04 /
+FC6H13O2=FC6H13+O2 +1.232E+20 -1.688 +35760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+GC6H13O2=GC6H13+O2 +1.850E+23 -2.356 +38080.0 ! *:_:* LLNL *:_:*
+ REV/ 5.240E+12 0.000 0.000E+00 /
+HC6H13O2=HC6H13+O2 +4.491E+20 -1.688 +35760.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+FC6H13+FC6H13O2=2FC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.494E+13 -0.193 2.982E+04 /
+FC6H13+GC6H13O2=FC6H13O+GC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.588E+13 -0.128 2.945E+04 /
+FC6H13+HC6H13O2=FC6H13O+HC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+13 -0.193 2.982E+04 /
+GC6H13+FC6H13O2=GC6H13O+FC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.193E+15 -0.795 3.177E+04 /
+GC6H13+GC6H13O2=2GC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.801E+15 -0.731 3.140E+04 /
+GC6H13+HC6H13O2=GC6H13O+HC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.070E+15 -0.795 3.177E+04 /
+HC6H13+FC6H13O2=HC6H13O+FC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+13 -0.193 2.982E+04 /
+HC6H13+GC6H13O2=HC6H13O+GC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.642E+12 -0.128 2.945E+04 /
+HC6H13+HC6H13O2=2HC6H13O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.470E+12 -0.193 2.982E+04 /
+FC6H13+HO2=FC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.842E+15 -0.544 2.612E+04 /
+GC6H13+HO2=GC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.076E+17 -1.147 2.807E+04 /
+HC6H13+HO2=HC6H13O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.489E+14 -0.544 2.612E+04 /
+FC6H13+CH3O2=FC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.778E+14 -0.245 3.036E+04 /
+GC6H13+CH3O2=GC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.924E+16 -0.848 3.231E+04 /
+HC6H13+CH3O2=HC6H13O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.936E+13 -0.245 3.036E+04 /
+FC6H13O2=FC6H12OOH-F +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.771E+11 -0.564 9.010E+03 /
+FC6H13O2=FC6H12OOH-G +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.940E+09 -0.122 7.870E+03 /
+FC6H13O2=FC6H12OOH-H +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.732E+10 -0.564 6.960E+03 /
+GC6H13O2=GC6H12OOH-F +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.824E+11 -0.601 9.040E+03 /
+GC6H13O2=GC6H12OOH-H +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.457E+12 -0.601 1.404E+04 /
+HC6H13O2=HC6H12OOH-F +1.406E+10 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.143E+10 -0.509 6.900E+03 /
+HC6H13O2=HC6H12OOH-G +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.938E+10 -0.097 1.383E+04 /
+GC6H13O2=NEOC6H12+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.763E+32 -7.214 1.565E+04 /
+HC6H13O2=NEOC6H12+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.019E+30 -6.228 1.947E+04 /
+FC6H13O2+HO2=FC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.792E+13 -0.794 3.362E+04 /
+GC6H13O2+HO2=GC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+13 -0.815 3.364E+04 /
+HC6H13O2+HO2=HC6H13O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.792E+13 -0.794 3.362E+04 /
+FC6H13O2+H2O2=FC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+GC6H13O2+H2O2=GC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+HC6H13O2+H2O2=HC6H13O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+FC6H13O2+CH3O2=FC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H13O2+CH3O2=GC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HC6H13O2+CH3O2=HC6H13O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2FC6H13O2=O2+2FC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H13O2+GC6H13O2=O2+FC6H13O+GC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H13O2+HC6H13O2=O2+FC6H13O+HC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2GC6H13O2=O2+2GC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H13O2+HC6H13O2=O2+GC6H13O+HC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2HC6H13O2=O2+2HC6H13O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H13O2H=FC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.886E+07 1.938 -6.532E+03 /
+GC6H13O2H=GC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.841E+06 2.024 -6.922E+03 /
+HC6H13O2H=HC6H13O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.296E+06 1.938 -6.532E+03 /
+FC6H13O=CH2O+BC5H11 +1.075E+25 -3.221 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+GC6H13O=CH3CHO+TC4H9 +3.662E+26 -3.620 +18480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+HC6H13O=CH2O+NEOC5H11 +1.978E+16 -0.918 +23540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+GC6H12OOH-H=NEOC6H12+HO2 +2.360E+22 -2.796 +23940.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+HC6H12OOH-G=NEOC6H12+HO2 +2.188E+19 -1.979 +21460.0 ! *:_:* LLNL *:_:*
+ REV/ 4.560E+11 0.000 1.346E+04 /
+FC6H12OOH-F=F-FC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-G=F-GC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-H=F-HC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H12OOH-H=G-HC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H12OOH-F=F-GC6H12O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HC6H12OOH-G=G-HC6H12O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+HC6H12OOH-F=F-HC6H12O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-F=OH+CH2O+AC5H10 +4.948E+17 -1.150 +28430.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-G=OH+CH2O+BC5H10 +6.788E+16 -0.990 +28070.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+GC6H12OOH-F=OH+CH3CHO+IC4H8 +4.754E+21 -2.370 +27810.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-H=IC4H8+C2H4+HO2 +1.405E+22 -3.120 +25850.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+FC6H12OOH-FO2=FC6H12OOH-F+O2 +5.741E+19 -1.584 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+FC6H12OOH-GO2=FC6H12OOH-G+O2 +5.752E+22 -2.289 +38010.0 ! *:_:* LLNL *:_:*
+ REV/ 5.240E+12 0.000 0.000E+00 /
+FC6H12OOH-HO2=FC6H12OOH-H+O2 +2.093E+20 -1.584 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+GC6H12OOH-FO2=GC6H12OOH-F+O2 +1.533E+19 -1.497 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+GC6H12OOH-HO2=GC6H12OOH-H+O2 +5.584E+19 -1.497 +35570.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+HC6H12OOH-FO2=HC6H12OOH-F+O2 +8.708E+19 -1.639 +35710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+HC6H12OOH-GO2=HC6H12OOH-G+O2 +6.982E+22 -2.315 +38050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.240E+12 0.000 0.000E+00 /
+FC6H12OOH-FO2=NEOC6KETFF+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.042E+03 1.449 4.373E+04 /
+FC6H12OOH-GO2=NEOC6KETFG+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.269E+03 1.387 4.379E+04 /
+FC6H12OOH-HO2=NEOC6KETFH+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 2.595E+02 1.449 4.168E+04 /
+GC6H12OOH-FO2=NEOC6KETGF+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.345E+02 1.819 4.290E+04 /
+GC6H12OOH-HO2=NEOC6KETGH+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 4.693E+02 1.812 4.902E+04 /
+HC6H12OOH-FO2=NEOC6KETHF+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.623E+02 1.501 4.267E+04 /
+HC6H12OOH-GO2=NEOC6KETHG+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.757E+04 1.344 4.891E+04 /
+F-FC6H12O+OH=IC5H10CHO-BA+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+OH=IC5H10CHO-BC+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+OH=TC4H8CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+OH=TC4H9CHCHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-FC6H12O+OH=AC5H9-A1+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+OH=TC4H8COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+OH=IC5H10CHO-BD+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+OH=TC4H9COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-FC6H12O+HO2=IC5H10CHO-BA+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+HO2=IC5H10CHO-BC+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+HO2=TC4H8CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+HO2=TC4H9CHCHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-FC6H12O+HO2=AC5H9-A1+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-GC6H12O+HO2=TC4H8COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+F-HC6H12O+HO2=IC5H10CHO-BD+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+G-HC6H12O+HO2=TC4H9COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETFF=CH2O+C4H8CHO2-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETFG=CH3CHO+TC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETFH=CH2O+TC4H8CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETGF=CH2O+TC3H6COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETGH=CH2O+TC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETHF=CH2O+TC3H6CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6KETHG=TC4H9CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC6H12OH=NEOC6H12+OH +8.745E+14 -0.590 +28620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+NEOO2C6H12OH=NEOC6H12OH+O2 +1.622E+21 -1.900 +37740.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+NEOO2C6H12OH=TC4H9CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+TC4H9CHO+HO2=TC4H9CO+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.852E+12 -0.330 1.200E+04 /
+TC4H9CHO+CH3=TC4H9CO+CH4 +3.980E+12 +0.000 +8700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.558E+13 0.000 2.557E+04 /
+TC4H9CHO+O=TC4H9CO+OH +7.180E+12 +0.000 +1389.0 ! *:_:* LLNL *:_:*
+ REV/ 4.726E+11 0.000 1.568E+04 /
+TC4H9CHO+O2=TC4H9CO+HO2 +4.000E+13 +0.000 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.089E+11 0.320 -3.492E+03 /
+TC4H9CHO+OH=TC4H9CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.746E+10 0.760 3.120E+04 /
+TC4H9CO=TC4H9+CO +2.517E+23 -2.881 +13490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+TC4H9CHO+OH=TC4H8CHO+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 7.775E+06 1.520 2.021E+04 /
+TC4H9CHO+H=TC4H8CHO+H2 +1.810E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 1.419E+04 2.530 1.104E+04 /
+TC4H9CHO+HO2=TC4H8CHO+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 6.067E+03 2.220 3.472E+03 /
+TC4H9CHO+CH3=TC4H8CHO+CH4 +1.360E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 2.786E-01 3.640 1.191E+04 /
+TC4H9CHO+CH3O=TC4H8CHO+CH3OH +4.820E+11 +0.000 +7313.0 ! *:_:* LLNL *:_:*
+ REV/ 1.822E+09 0.020 9.863E+03 /
+TC4H9CHO+CH3O2=TC4H8CHO+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.493E+04 2.040 2.752E+03 /
+NEOC5H11CHO+OH=NEOC5H11CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.076E+12 0.000 3.092E+04 /
+NEOC5H11CHO+OH=TC4H9CHCHO+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.249E+09 1.340 2.887E+04 /
+NEOC5H11CHO+OH=TC4H8CH2CHO+H2O +1.290E+10 +1.050 +1810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.470E+09 1.050 2.124E+04 /
+NEOC5H11CHO+HO2=NEOC5H11CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.024E+13 -0.330 1.367E+04 /
+NEOC5H11CHO+HO2=TC4H9CHCHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.270E+13 -0.600 9.362E+03 /
+NEOC5H11CHO+HO2=TC4H8CH2CHO+H2O2 +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.909E+13 -0.330 7.362E+03 /
+NEOC5H11CHO+CH3O2=NEOC5H11CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.503E+13 -0.500 8.852E+03 /
+NEOC5H11CHO+CH3O2=TC4H9CHCHO+CH3O2H +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 5.220E+13 -0.780 8.642E+03 /
+NEOC5H11CHO+CH3O2=TC4H8CH2CHO+CH3O2H +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.846E+13 -0.500 6.642E+03 /
+NEOC5H11CO=NEOC5H11+CO +2.433E+17 -1.270 +13440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+NEOC5H11CO=TC4H9+CH2CO +3.657E+16 -1.030 +34870.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+TC4H9CHCHO=IC3H6CHCHO+CH3 +2.285E+17 -1.080 +31770.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H8CH2CHO=IC4H8+CH2CHO +6.610E+19 -2.200 +28090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+TC4H8CH2CHO=IC4H7CHO+CH3 +1.673E+17 -1.170 +34510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.260E+04 /
+IC4H7CHO+OH=IC4H7CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.186E+12 -0.010 3.093E+04 /
+IC4H7CHO+OH=AC3H4CH2CHO+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.621E+08 1.440 3.240E+04 /
+IC4H7CHO+OH=IC3H5CHCHO+H2O +4.240E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.591E+08 1.790 3.491E+04 /
+IC4H7CHO+HO2=IC4H7CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.155E+13 -0.330 1.200E+04 /
+IC4H7CHO+HO2=AC3H4CH2CHO+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.642E+06 1.720 1.514E+04 /
+IC4H7CHO+HO2=IC3H5CHCHO+H2O2 +9.640E+03 +2.600 +12510.0 ! *:_:* LLNL *:_:*
+ REV/ 2.148E+06 2.070 1.626E+04 /
+IC4H7CHO+CH3O2=IC4H7CO+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.174E+13 -0.507 1.045E+04 /
+IC4H7CHO+CH3O2=AC3H4CH2CHO+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.634E+15 -1.060 1.756E+04 /
+IC4H7CHO+CH3O2=IC3H5CHCHO+CH3O2H +1.990E+12 +0.000 +15950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.822E+15 -0.710 1.898E+04 /
+IC4H7CO=IC4H7+CO +1.109E+17 -1.300 +12230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC4H7CO=C3H5-T+CH2CO +1.814E+16 -0.960 +47260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.600E+03 /
+AC3H4CH2CHO=C3H4-A+CH2CHO +4.132E+20 -2.360 +52470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H5CHCHO+HO2=IC3H5CHO+HCO+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC5H11CHO-B+OH=IC5H11CO-B+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.185E+12 0.000 3.093E+04 /
+IC5H11CHO-B+OH=IC5H10CHO-BA+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 2.691E+07 1.540 2.819E+04 /
+IC5H11CHO-B+OH=IC5H10CHO-BC+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 3.872E+05 2.010 2.184E+04 /
+IC5H11CHO-B+OH=IC5H10CHO-BD+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 9.268E+08 0.980 2.100E+04 /
+IC5H11CHO-B+HO2=IC5H11CO-B+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.849E+12 -0.330 1.200E+04 /
+IC5H11CHO-B+HO2=IC5H10CHO-BA+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 5.763E+04 2.240 4.432E+03 /
+IC5H11CHO-B+HO2=IC5H10CHO-BC+H2O2 +2.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.218E+03 2.670 4.322E+03 /
+IC5H11CHO-B+HO2=IC5H10CHO-BD+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 2.881E+04 2.240 4.432E+03 /
+IC5H11CHO-B+CH3O2=IC5H11CO-B+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.582E+13 -0.510 1.128E+04 /
+IC5H11CHO-B+CH3O2=IC5H10CHO-BA+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.042E+05 2.060 3.726E+03 /
+IC5H11CHO-B+CH3O2=IC5H10CHO-BC+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.580E+11 -0.100 6.744E+03 /
+IC5H11CHO-B+CH3O2=IC5H10CHO-BD+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.587E+13 -0.490 6.607E+03 /
+IC5H11CO-B=BC5H11+CO +1.038E+18 -1.360 +9078.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC5H11CO-B=IC3H6CO+C2H5 +3.780E+21 -2.238 +39070.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BA=AC5H10+HCO +5.476E+18 -1.640 +25600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BA=IC3H5CHO+C2H5 +1.552E+19 -1.680 +26620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BA=C4H7CHO1-2+CH3 +1.953E+15 -0.740 +25810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BC=BC5H10+HCO +7.371E+17 -1.500 +25700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.120E+04 /
+IC5H10CHO-BC=C4H7CHO2-2+CH3 +1.133E+16 +0.360 +21300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC5H10CHO-BD=TC3H6CHO+C2H4 +5.814E+18 -1.850 +24890.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 1.120E+04 /
+C4H7CHO1-2+OH=C4H7CO1-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.828E+12 0.010 3.681E+04 /
+C4H7CHO1-2+OH=C4H6CHO1-23+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 1.511E+09 1.420 3.498E+04 /
+C4H7CHO1-2+OH=C4H6CHO1-24+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 4.305E+06 1.720 2.019E+04 /
+C4H7CHO1-2+HO2=C4H7CO1-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.027E+13 -0.310 1.788E+04 /
+C4H7CHO1-2+HO2=C4H6CHO1-23+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.389E+15 -0.550 2.146E+04 /
+C4H7CHO1-2+HO2=C4H6CHO1-24+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.946E+04 2.210 4.462E+03 /
+C4H7CHO1-2+CH3O2=C4H7CO1-2+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.181E+14 -0.490 1.884E+04 /
+C4H7CHO1-2+CH3O2=C4H6CHO1-23+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.029E+15 -0.720 2.009E+04 /
+C4H7CHO1-2+CH3O2=C4H6CHO1-24+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.531E+13 -0.510 6.627E+03 /
+C4H7CO1-2=C4H71-2+CO +2.125E+22 -2.495 +37340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H6CHO1-23=CH2CCHCH3+HCO +8.677E+15 -0.450 +55040.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+C4H6CHO1-24=C2H4+CH2CCHO +6.403E+18 -1.700 +41090.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 8.600E+03 /
+C4H7CHO2-2+OH=C4H7CO2-2+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.586E+12 0.020 3.680E+04 /
+C4H7CHO2-2+OH=C4H6CHO2-21+H2O +8.420E+11 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.779E+14 -0.640 3.198E+04 /
+C4H7CHO2-2+OH=C4H6CHO2-24+H2O +8.420E+11 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.779E+14 -0.640 3.198E+04 /
+C4H7CHO2-2+OH=CH3CHO+CH3CHCHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.906E+07 2.140 1.348E+04 /
+C4H7CHO2-2+HO2=C4H7CO2-2+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 9.840E+12 -0.310 1.788E+04 /
+C4H7CHO2-2+HO2=C4H6CHO2-21+H2O2 +1.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+07 1.580 1.680E+04 /
+C4H7CHO2-2+HO2=C4H6CHO2-24+H2O2 +1.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+07 1.580 1.680E+04 /
+C4H7CHO2-2+HO2=CH3CHO+C2H3CHO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C4H7CHO2-2+CH3O2=C4H7CO2-2+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.132E+14 -0.480 1.884E+04 /
+C4H7CHO2-2+CH3O2=C4H6CHO2-21+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.226E+08 1.400 1.707E+04 /
+C4H7CHO2-2+CH3O2=C4H6CHO2-24+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.226E+08 1.400 1.707E+04 /
+C4H7CHO2-2+CH3O2=CH3CHO+CH3CHCO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+C4H7CO2-2=C4H72-2+CO +4.683E+20 -3.441 +41360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+C4H6CHO2-21=CH2CCHCH3+HCO +4.000E+14 +0.000 +13300.0 ! *:_:* LLNL *:_:*
+ REV/ 3.480E+10 0.590 1.382E+04 /
+C4H6CHO2-24=CH2CCHCH3+HCO +2.852E+14 -1.580 +60540.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.160E+04 /
+TC4H9COCH3+OH=TC4H9COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.148E+13 -0.690 2.766E+04 /
+TC4H9COCH3+OH=TC4H8COCH3+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.685E+07 1.520 2.021E+04 /
+TC4H9COCH3+HO2=TC4H9COCH2+H2O2 +2.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.703E+07 1.530 1.050E+04 /
+TC4H9COCH3+HO2=TC4H8COCH3+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.655E+04 2.220 3.472E+03 /
+TC4H9COCH3+CH3O2=TC4H9COCH2+CH3O2H +3.010E+13 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 8.851E+16 -1.190 1.186E+04 /
+TC4H9COCH3+CH3O2=TC4H8COCH3+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.502E+05 2.040 2.752E+03 /
+TC4H9COCH2=TC4H9+CH2CO +1.519E+19 -1.740 +36770.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+TC4H8COCH3=IC4H8+CH3CO +1.384E+22 -2.630 +27450.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.060E+04 /
+CH2CCHO+OH=CH3CO+HCO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.255E+10 0.500 3.931E+04 /
+CH2CCHO+HO2=CH2CO+HCO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CH2CCHO+CH3O2=CH2CO+HCO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC3H6CHCHO+OH=IC3H6CHCO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.784E+12 0.010 3.681E+04 /
+IC3H6CHCHO+OH=AC3H5CHCHO+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 1.907E+10 0.970 4.149E+04 /
+IC3H6CHCHO+OH=TC3H6CHO+CH2O +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.394E+11 0.110 1.608E+04 /
+NEOC7H16=NC7H15+H +2.016E+17 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=OC7H15+H +1.041E+18 -0.704 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=PC7H15+H +1.041E+18 -0.704 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=QC7H15+H +6.730E+16 -0.358 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NEOC7H16=BC6H13+CH3 +4.752E+26 -2.822 +87840.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16=HC6H13+CH3 +1.749E+22 -1.792 +89280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16=NEOC5H11+C2H5 +5.100E+19 -0.872 +87030.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16=TC4H9+NC3H7 +1.069E+28 -3.166 +87260.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NEOC7H16+H=NC7H15+H2 +9.788E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 6.998E+01 3.402 1.049E+04 /
+NEOC7H16+H=OC7H15+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.799E+01 3.380 9.324E+03 /
+NEOC7H16+H=PC7H15+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.799E+01 3.380 9.324E+03 /
+NEOC7H16+H=QC7H15+H2 +9.400E+04 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.013E+01 3.384 8.621E+03 /
+NEOC7H16+CH3=NC7H15+CH4 +1.356E+00 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.848E-02 3.838 1.104E+04 /
+NEOC7H16+CH3=OC7H15+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.061E+03 2.667 1.397E+04 /
+NEOC7H16+CH3=PC7H15+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.061E+03 2.667 1.397E+04 /
+NEOC7H16+CH3=QC7H15+CH4 +4.520E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.836E-02 3.838 1.104E+04 /
+NEOC7H16+C2H5=NC7H15+C2H6 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC7H16+C2H5=OC7H15+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NEOC7H16+C2H5=PC7H15+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NEOC7H16+C2H5=QC7H15+C2H6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NEOC7H16+NC7H15=OC7H15+NEOC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC7H16+NC7H15=PC7H15+NEOC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC7H16+NC7H15=QC7H15+NEOC7H16 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+11 0.000 1.230E+04 /
+NEOC7H16+OC7H15=PC7H15+NEOC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+NEOC7H16+OC7H15=QC7H15+NEOC7H16 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+NEOC7H16+PC7H15=QC7H15+NEOC7H16 +7.500E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.040E+04 /
+NEOC7H16+O=NC7H15+OH +4.046E+07 +2.034 +5136.0 ! *:_:* LLNL *:_:*
+ REV/ 1.518E+03 2.648 6.065E+03 /
+NEOC7H16+O=OC7H15+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.320E+00 3.399 6.287E+03 /
+NEOC7H16+O=PC7H15+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.320E+00 3.399 6.287E+03 /
+NEOC7H16+O=QC7H15+OH +1.046E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.176E+02 3.038 5.695E+03 /
+NEOC7H16+OH=NC7H15+H2O +2.372E+07 +1.800 +298.1 ! *:_:* LLNL *:_:*
+ REV/ 1.804E+04 2.328 1.753E+04 /
+NEOC7H16+OH=OC7H15+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.893E+03 2.484 1.971E+04 /
+NEOC7H16+OH=PC7H15+H2O +4.680E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.893E+03 2.484 1.971E+04 /
+NEOC7H16+OH=QC7H15+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.201E+07 1.498 1.882E+04 /
+NEOC7H16+HO2=NC7H15+H2O2 +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 3.352E+03 2.439 3.021E+03 /
+NEOC7H16+HO2=OC7H15+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.711E+02 2.785 3.715E+03 /
+NEOC7H16+HO2=PC7H15+H2O2 +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.711E+02 2.785 3.715E+03 /
+NEOC7H16+HO2=QC7H15+H2O2 +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 5.021E+03 2.439 3.031E+03 /
+NEOC7H16+CH3O=NC7H15+CH3OH +4.800E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC7H16+CH3O=OC7H15+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+NEOC7H16+CH3O=PC7H15+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+NEOC7H16+CH3O=QC7H15+CH3OH +1.600E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NEOC7H16+O2=NC7H15+HO2 +6.300E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.363E+10 0.286 4.570E+02 /
+NEOC7H16+O2=OC7H15+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.017E+09 0.632 3.190E+02 /
+NEOC7H16+O2=PC7H15+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.017E+09 0.632 3.190E+02 /
+NEOC7H16+O2=QC7H15+HO2 +2.100E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.360E+10 0.286 4.570E+02 /
+NEOC7H16+C2H3=NC7H15+C2H4 +1.500E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC7H16+C2H3=OC7H15+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NEOC7H16+C2H3=PC7H15+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NEOC7H16+C2H3=QC7H15+C2H4 +5.000E+11 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NEOC7H16+CH3O2=NC7H15+CH3O2H +8.100E+04 +2.500 +16680.0 ! *:_:* LLNL *:_:*
+ REV/ 6.521E+04 1.994 1.426E+03 /
+NEOC7H16+CH3O2=OC7H15+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.166E+03 2.340 2.120E+03 /
+NEOC7H16+CH3O2=PC7H15+CH3O2H +5.880E+04 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.166E+03 2.340 2.120E+03 /
+NEOC7H16+CH3O2=QC7H15+CH3O2H +4.050E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.768E+04 1.994 1.436E+03 /
+NEOC7H16+NC7H15O2=NC7H15+NC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=NC7H15+OC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=NC7H15+PC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=NC7H15+QC7H15O2H +2.520E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+NC7H15O2=OC7H15+NC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=OC7H15+OC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=OC7H15+PC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=OC7H15+QC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+NC7H15O2=PC7H15+NC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=PC7H15+OC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=PC7H15+PC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=PC7H15+QC7H15O2H +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+NC7H15O2=QC7H15+NC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+OC7H15O2=QC7H15+OC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+PC7H15O2=QC7H15+PC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+QC7H15O2=QC7H15+QC7H15O2H +8.400E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+NEOC7H16+O2CHO=NC7H15+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.743E+02 2.300 3.066E+03 /
+NEOC7H16+O2CHO=OC7H15+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.471E+01 2.640 2.829E+03 /
+NEOC7H16+O2CHO=PC7H15+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.471E+01 2.640 2.829E+03 /
+NEOC7H16+O2CHO=QC7H15+HO2CHO +8.400E+12 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.735E+02 2.300 3.066E+03 /
+NC7H15=IC4H8+NC3H7 +7.638E+22 -2.615 +32570.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.060E+04 /
+NC7H15=AC6H12+CH3 +1.250E+21 -2.183 +34280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.060E+04 /
+OC7H15=BC6H12+CH3 +4.955E+20 -2.013 +33920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 1.060E+04 /
+OC7H15=NEOC6H12+CH3 +2.373E+17 -1.354 +32500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.200E+03 /
+OC7H15=OC7H14+H +3.331E+13 -0.086 +36260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+PC7H15=TC4H9+C3H6 +2.308E+23 -2.801 +29340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 7.200E+03 /
+PC7H15=PC7H14+H +1.528E+13 +0.097 +36810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 1.200E+03 /
+PC7H15=OC7H14+H +1.281E+13 -0.086 +36260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.000 2.500E+03 /
+QC7H15=C2H4+NEOC5H11 +4.061E+15 -0.634 +29100.0 ! *:_:* LLNL *:_:*
+ REV/ 3.300E+11 0.000 7.200E+03 /
+QC7H15=PC7H14+H +2.364E+14 -0.249 +35600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+13 0.000 2.500E+03 /
+OC7H15+O2=OC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+PC7H15+O2=OC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+PC7H15+O2=PC7H14+HO2 +4.500E-29 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+QC7H15+O2=PC7H14+HO2 +3.000E-29 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-29 0.000 1.750E+04 /
+NC7H15=PC7H15 +2.000E+11 +0.000 +18100.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+11 0.000 2.110E+04 /
+NC7H15=QC7H15 +3.000E+11 +0.000 +14100.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+11 0.000 1.410E+04 /
+NC7H15+HO2=NC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.341E+15 -0.565 2.595E+04 /
+OC7H15+HO2=OC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.083E+17 -1.147 2.786E+04 /
+PC7H15+HO2=PC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.083E+17 -1.147 2.786E+04 /
+QC7H15+HO2=QC7H15O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.340E+15 -0.565 2.595E+04 /
+NC7H15+CH3O2=NC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.090E+14 -0.266 3.019E+04 /
+OC7H15+CH3O2=OC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.928E+16 -0.849 3.210E+04 /
+PC7H15+CH3O2=PC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.928E+16 -0.849 3.210E+04 /
+QC7H15+CH3O2=QC7H15O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.089E+14 -0.266 3.019E+04 /
+PC7H14=TC4H9+C3H5-A +1.861E+27 -3.388 +74280.0 ! *:_:* LLNL *:_:*
+ REV/ 7.220E+14 -0.750 -1.310E+02 /
+OC7H14=CC6H11-B+CH3 +3.087E+24 -2.516 +74100.0 ! *:_:* LLNL *:_:*
+ REV/ 1.020E+14 -0.320 -1.310E+02 /
+OC7H14+OH=C2H5CHO+TC4H9 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14+OH=NEOC5H11+CH3CHO +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14+OH=NEOC5H11+CH3CHO +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14+OH=CH2O+HC6H13 +2.000E+10 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14+O=TC4H9+HCO+C2H4 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14+O=CH2O+NEOC6H12 +2.000E+10 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14+H=OC7H13-N+H2 +1.995E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.105E+04 2.540 1.112E+04 /
+OC7H14+H=PC7H13-O+H2 +1.730E+04 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 4.865E+05 2.060 2.085E+04 /
+OC7H14+OH=OC7H13-N+H2O +1.581E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.065E+09 0.970 2.110E+04 /
+OC7H14+OH=PC7H13-O+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.799E+08 1.560 3.322E+04 /
+PC7H14+H=PC7H13-N+H2 +1.995E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.087E+04 2.540 1.112E+04 /
+PC7H14+H=PC7H13-O+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.354E+06 2.100 2.042E+04 /
+PC7H14+OH=PC7H13-N+H2O +1.581E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.059E+09 0.960 2.110E+04 /
+PC7H14+OH=PC7H13-O+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+06 2.380 3.345E+04 /
+OC7H13-N=IC4H8+C3H5-S +3.475E+21 -2.390 +44670.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+PC7H13-N=IC4H8+C3H5-A +4.890E+19 -2.090 +19390.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+PC7H13-O=PC7H13-N +4.172E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 5.006E+08 0.250 1.055E+04 /
+PC7H13-O+HO2=PC7H13O-O+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.725E+15 -1.120 1.569E+04 /
+PC7H13-O+CH3O2=PC7H13O-O+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 8.522E+17 -1.700 2.045E+04 /
+PC7H13-O+C2H5O2=PC7H13O-O+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.579E+14 -0.770 1.829E+04 /
+PC7H13O-O=C2H3CHO+TC4H9 +4.556E+21 -2.340 +7565.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+PC7H13O-O=TC4H9CHO+C2H3 +8.531E+17 -1.500 +24330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+NC7H15O2=NC7H15+O2 +1.485E+20 -1.713 +35790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+OC7H15O2=OC7H15+O2 +2.759E+22 -2.386 +38110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+12 0.000 0.000E+00 /
+PC7H15O2=PC7H15+O2 +2.759E+22 -2.386 +38110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+12 0.000 0.000E+00 /
+QC7H15O2=QC7H15+O2 +5.411E+20 -1.713 +35790.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+NC7H15+NC7H15O2=2NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.743E+13 -0.209 2.943E+04 /
+NC7H15+OC7H15O2=NC7H15O+OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.876E+13 -0.119 2.903E+04 /
+NC7H15+PC7H15O2=NC7H15O+PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.876E+13 -0.119 2.903E+04 /
+NC7H15+QC7H15O2=NC7H15O+QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.741E+13 -0.209 2.943E+04 /
+OC7H15+NC7H15O2=OC7H15O+NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.991E+15 -0.792 3.135E+04 /
+OC7H15+OC7H15O2=2OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+OC7H15+PC7H15O2=OC7H15O+PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+OC7H15+QC7H15O2=OC7H15O+QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.989E+15 -0.792 3.135E+04 /
+PC7H15+NC7H15O2=PC7H15O+NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.991E+15 -0.792 3.135E+04 /
+PC7H15+OC7H15O2=PC7H15O+OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+PC7H15+PC7H15O2=2PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.500E+15 -0.701 3.095E+04 /
+PC7H15+QC7H15O2=PC7H15O+QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.989E+15 -0.792 3.135E+04 /
+QC7H15+NC7H15O2=QC7H15O+NC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.739E+13 -0.209 2.943E+04 /
+QC7H15+OC7H15O2=QC7H15O+OC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.874E+13 -0.119 2.903E+04 /
+QC7H15+PC7H15O2=QC7H15O+PC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.874E+13 -0.119 2.903E+04 /
+QC7H15+QC7H15O2=2QC7H15O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.736E+13 -0.209 2.943E+04 /
+NC7H15O2+HO2=NC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.740E+13 -0.792 3.361E+04 /
+OC7H15O2+HO2=OC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.527E+13 -0.816 3.364E+04 /
+PC7H15O2+HO2=PC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.527E+13 -0.816 3.364E+04 /
+QC7H15O2+HO2=QC7H15O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.742E+13 -0.792 3.361E+04 /
+NC7H15O2+H2O2=NC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+OC7H15O2+H2O2=OC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+PC7H15O2+H2O2=PC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+QC7H15O2+H2O2=QC7H15O2H+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+NC7H15O2+CH3O2=NC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H15O2+CH3O2=OC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H15O2+CH3O2=PC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H15O2+CH3O2=QC7H15O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2NC7H15O2=O2+2NC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2+OC7H15O2=O2+NC7H15O+OC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2+PC7H15O2=O2+NC7H15O+PC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2+QC7H15O2=O2+NC7H15O+QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2OC7H15O2=O2+2OC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H15O2+PC7H15O2=O2+OC7H15O+PC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H15O2+QC7H15O2=O2+OC7H15O+QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2PC7H15O2=O2+2PC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H15O2+QC7H15O2=O2+PC7H15O+QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2QC7H15O2=O2+2QC7H15O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H15O2H=NC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.865E+07 1.940 -6.732E+03 /
+OC7H15O2H=OC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.714E+06 2.055 -7.162E+03 /
+PC7H15O2H=PC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.714E+06 2.055 -7.162E+03 /
+QC7H15O2H=QC7H15O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.864E+07 1.940 -6.732E+03 /
+NC7H15O=CH2O+BC6H13 +5.314E+24 -3.295 +23120.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.190E+04 /
+OC7H15O=C2H5CHO+TC4H9 +6.383E+21 -2.171 +18140.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.290E+04 /
+OC7H15O=C2H5+TC4H9CHO +9.787E+21 -2.518 +22720.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.000 1.290E+04 /
+PC7H15O=CH3CHO+NEOC5H11 +7.500E+17 -1.279 +18870.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.290E+04 /
+QC7H15O=CH2O+HC6H13 +5.855E+20 -2.265 +24560.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.000 1.190E+04 /
+NC7H15O2=NC7H14OOH-N2 +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.828E+11 -0.509 8.940E+03 /
+NC7H15O2=NC7H14OOH-O +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.335E+09 -0.092 7.830E+03 /
+NC7H15O2=NC7H14OOH-P +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.918E+08 -0.092 6.030E+03 /
+NC7H15O2=NC7H14OOH-Q +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.428E+09 -0.509 1.009E+04 /
+OC7H15O2=OC7H14OOH-N +1.125E+11 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.047E+11 -0.526 8.960E+03 /
+OC7H15O2=OC7H14OOH-P +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.455E+10 -0.056 1.380E+04 /
+OC7H15O2=OC7H14OOH-Q +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.046E+11 -0.526 8.960E+03 /
+PC7H15O2=PC7H14OOH-N +1.406E+10 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.309E+10 -0.526 6.910E+03 /
+PC7H15O2=PC7H14OOH-O +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.455E+10 -0.056 1.380E+04 /
+PC7H15O2=PC7H14OOH-Q +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.366E+11 -0.526 1.396E+04 /
+QC7H15O2=QC7H14OOH-N +1.758E+09 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.430E+09 -0.509 1.009E+04 /
+QC7H15O2=QC7H14OOH-O +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.334E+09 -0.092 7.830E+03 /
+QC7H15O2=QC7H14OOH-P +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.868E+10 -0.092 1.383E+04 /
+OC7H15O2=OC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.736E+28 -5.710 1.749E+04 /
+PC7H15O2=OC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.736E+28 -5.710 1.749E+04 /
+PC7H15O2=PC7H14+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 8.197E+32 -7.193 1.664E+04 /
+QC7H15O2=PC7H14+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.710E+29 -6.220 2.047E+04 /
+NC7H14OOH-N2=N-NC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-O=N-OC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-P=N-PC7H14O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-Q=N-QC7H14O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-N=N-OC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-P=O-PC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-Q=O-QC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OOH-N=N-PC7H14O+OH +9.375E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OOH-O=O-PC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OOH-Q=P-QC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-N=N-QC7H14O+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-O=O-QC7H14O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-P=P-QC7H14O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-P=OC7H14+HO2 +1.231E+20 -2.456 +23350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.253E+11 0.000 1.340E+04 /
+PC7H14OOH-O=OC7H14+HO2 +1.231E+20 -2.456 +23350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.253E+11 0.000 1.340E+04 /
+PC7H14OOH-Q=PC7H14+HO2 +7.520E+21 -2.744 +22770.0 ! *:_:* LLNL *:_:*
+ REV/ 4.355E+11 0.000 1.336E+04 /
+QC7H14OOH-P=PC7H14+HO2 +2.113E+19 -1.982 +20360.0 ! *:_:* LLNL *:_:*
+ REV/ 4.355E+11 0.000 1.336E+04 /
+NC7H14OOH-N2=OH+CH2O+AC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-O=OH+CH2O+BC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-N=OH+C2H5CHO+IC4H8 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OOH-Q=OH+TC4H9CHO+C2H4 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+QC7H14OOH-O=OH+CH2O+NEOC6H12 +5.000E+13 +0.000 +25500.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC7H14OOH-N2O2=NC7H14OOH-N2+O2 +9.198E+19 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+NC7H14OOH-OO2=NC7H14OOH-O+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+NC7H14OOH-PO2=NC7H14OOH-P+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+NC7H14OOH-QO2=NC7H14OOH-Q+O2 +3.353E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+OC7H14OOH-NO2=OC7H14OOH-N+O2 +5.582E+19 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+OC7H14OOH-PO2=OC7H14OOH-P+O2 +2.100E+22 -2.302 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+OC7H14OOH-QO2=OC7H14OOH-Q+O2 +2.034E+20 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+PC7H14OOH-NO2=PC7H14OOH-N+O2 +5.582E+19 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.240E+12 0.000 0.000E+00 /
+PC7H14OOH-OO2=PC7H14OOH-O+O2 +2.100E+22 -2.302 +38020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+PC7H14OOH-QO2=PC7H14OOH-Q+O2 +2.034E+20 -1.578 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+QC7H14OOH-NO2=QC7H14OOH-N+O2 +3.353E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+QC7H14OOH-OO2=QC7H14OOH-O+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+QC7H14OOH-PO2=QC7H14OOH-P+O2 +2.803E+22 -2.340 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+12 0.000 0.000E+00 /
+NC7H14OOH-N2O2=NEOC7KETNN+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.843E+02 1.457 4.373E+04 /
+NC7H14OOH-OO2=NEOC7KETNO+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.234E+03 1.388 4.379E+04 /
+NC7H14OOH-PO2=NEOC7KETNP+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.042E+02 1.388 4.174E+04 /
+NC7H14OOH-QO2=NEOC7KETNQ+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 3.065E+01 1.457 4.488E+04 /
+OC7H14OOH-NO2=NEOC7KETON+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 9.351E+01 1.834 4.317E+04 /
+OC7H14OOH-PO2=NEOC7KETOP+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.755E+03 1.631 4.837E+04 /
+OC7H14OOH-QO2=NEOC7KETOQ+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 9.357E+01 1.834 4.317E+04 /
+PC7H14OOH-NO2=NEOC7KETPN+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 8.385E+00 1.903 4.223E+04 /
+PC7H14OOH-OO2=NEOC7KETPO+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.803E+03 1.714 4.917E+04 /
+PC7H14OOH-QO2=NEOC7KETPQ+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.473E+02 1.888 5.003E+04 /
+QC7H14OOH-NO2=NEOC7KETQN+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.899E+01 1.511 4.587E+04 /
+QC7H14OOH-OO2=NEOC7KETQO+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.338E+02 1.546 4.468E+04 /
+QC7H14OOH-PO2=NEOC7KETQP+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.367E+04 1.366 4.890E+04 /
+NEOC7KETNN=CH2O+C5H10CHO2-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETNO=C2H5CHO+TC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETNP=CH3CHO+TC4H8CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETNQ=CH2O+IC5H10CHO-BD+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETON=CH2O+TC3H6COC2H5+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETOP=CH3CHO+TC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETOQ=CH2O+TC4H9COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETPN=CH2O+TC3H6CH2COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETPO=TC4H9CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETPQ=CH2O+NEOC5H11CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETQN=CH2O+BC5H10CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETQO=TC4H9CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NEOC7KETQP=NEOC5H11CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+OH=AC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+OH=BC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+OH=C3H6+TC3H6CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+OH=C2H4+TC4H8CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+OH=CH3CHCO+TC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+OH=NEOC6H12+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+OH=C2H3CHO+TC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+OH=AC6H11-C+CH2O+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+OH=IC4H8+C2H5CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+OH=IC4H8+CH3COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+OH=IC4H8+CH2CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+OH=TC4H9CO+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+OH=C2H4+TC4H9CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+OH=CH2CO+NEOC5H11+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+HO2=AC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+HO2=BC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+HO2=C3H6+TC3H6CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+HO2=C2H4+TC4H8CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+HO2=CH3CHCO+TC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+HO2=NEOC6H12+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+HO2=C2H3CHO+TC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-NC7H14O+HO2=AC6H11-C+CH2O+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-OC7H14O+HO2=IC4H8+C2H5CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-PC7H14O+HO2=IC4H8+CH3COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+N-QC7H14O+HO2=IC4H8+CH2CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-PC7H14O+HO2=TC4H9CO+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+O-QC7H14O+HO2=C2H4+TC4H9CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+P-QC7H14O+HO2=CH2CO+NEOC5H11+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+OC7H14OH=OC7H14+OH +1.073E+16 -1.000 +30210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+OO2C7H14OH=OC7H14OH+O2 +5.892E+21 -2.080 +37890.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+OO2C7H14OH=TC4H9CHO+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+PC7H14OH=PC7H14+OH +6.108E+14 -0.540 +27630.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+PO2C7H14OH=PC7H14OH+O2 +2.416E+21 -1.960 +37800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+PO2C7H14OH=NEOC5H11CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8H18=AC8H17+H +5.748E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=BC8H17+H +3.299E+18 -0.721 +98730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=CC8H17+H +1.146E+19 -0.941 +95430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=DC8H17+H +1.919E+17 -0.360 +100400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+14 0.000 0.000E+00 /
+IC8H18=YC7H15+CH3 +1.635E+27 -2.794 +83930.0 ! *:_:* LLNL *:_:*
+ REV/ 1.630E+13 0.000 -5.960E+02 /
+IC8H18=PC7H15+CH3 +1.376E+26 -2.591 +85860.0 ! *:_:* LLNL *:_:*
+ REV/ 1.930E+14 -0.320 0.000E+00 /
+IC8H18=TC4H9+IC4H9 +7.828E+29 -3.925 +84150.0 ! *:_:* LLNL *:_:*
+ REV/ 3.590E+14 -0.750 0.000E+00 /
+IC8H18=NEOC5H11+IC3H7 +2.455E+23 -2.013 +83400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.590E+14 -0.750 0.000E+00 /
+IC8H18+H=AC8H17+H2 +7.341E+05 +2.768 +8147.0 ! *:_:* LLNL *:_:*
+ REV/ 5.100E+01 3.404 1.048E+04 /
+IC8H18+H=BC8H17+H2 +5.736E+05 +2.491 +4124.0 ! *:_:* LLNL *:_:*
+ REV/ 6.942E+00 3.488 8.954E+03 /
+IC8H18+H=CC8H17+H2 +6.020E+05 +2.400 +2583.0 ! *:_:* LLNL *:_:*
+ REV/ 2.097E+00 3.617 1.071E+04 /
+IC8H18+H=DC8H17+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.911E+01 3.386 9.417E+03 /
+IC8H18+O=AC8H17+OH +8.550E+03 +3.050 +3123.0 ! *:_:* LLNL *:_:*
+ REV/ 3.118E-01 3.666 4.048E+03 /
+IC8H18+O=BC8H17+OH +4.770E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.030E-01 3.687 5.524E+03 /
+IC8H18+O=CC8H17+OH +3.830E+05 +2.410 +1140.0 ! *:_:* LLNL *:_:*
+ REV/ 7.003E-01 3.607 7.858E+03 /
+IC8H18+O=DC8H17+OH +2.853E+05 +2.500 +3645.0 ! *:_:* LLNL *:_:*
+ REV/ 3.116E+01 3.116 5.370E+03 /
+IC8H18+OH=AC8H17+H2O +2.630E+07 +1.800 +1431.0 ! *:_:* LLNL *:_:*
+IC8H18+OH=BC8H17+H2O +9.000E+05 +2.000 -1133.0 ! *:_:* LLNL *:_:*
+ REV/ 1.159E+02 2.891 1.859E+04 /
+IC8H18+OH=CC8H17+H2O +1.700E+06 +1.900 -1450.0 ! *:_:* LLNL *:_:*
+ REV/ 6.301E+01 3.011 2.157E+04 /
+IC8H18+OH=DC8H17+H2O +1.780E+07 +1.800 +1431.0 ! *:_:* LLNL *:_:*
+ REV/ 3.940E+04 2.330 1.946E+04 /
+IC8H18+CH3=AC8H17+CH4 +4.257E-14 +8.060 +4154.0 ! *:_:* LLNL *:_:*
+ REV/ 2.699E-15 8.250 8.031E+03 /
+IC8H18+CH3=BC8H17+CH4 +2.705E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 2.988E+02 2.811 1.366E+04 /
+IC8H18+CH3=CC8H17+CH4 +6.010E-10 +6.360 +893.0 ! *:_:* LLNL *:_:*
+ REV/ 1.911E-12 7.131 1.056E+04 /
+IC8H18+CH3=DC8H17+CH4 +1.470E-01 +3.870 +6808.0 ! *:_:* LLNL *:_:*
+ REV/ 2.791E-02 4.060 1.148E+04 /
+IC8H18+HO2=AC8H17+H2O2 +6.120E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+IC8H18+HO2=BC8H17+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+IC8H18+HO2=CC8H17+H2O2 +4.332E+02 +3.010 +12090.0 ! *:_:* LLNL *:_:*
+IC8H18+HO2=DC8H17+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O=AC8H17+CH3OH +4.740E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC8H18+CH3O=BC8H17+CH3OH +1.095E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.000 7.200E+03 /
+IC8H18+CH3O=CC8H17+CH3OH +1.900E+10 +0.000 +2800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+10 0.000 5.200E+03 /
+IC8H18+CH3O=DC8H17+CH3OH +3.200E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+IC8H18+O2=AC8H17+HO2 +6.300E+13 +0.000 +50760.0 ! *:_:* LLNL *:_:*
+ REV/ 2.296E+10 0.288 -1.592E+03 /
+IC8H18+O2=BC8H17+HO2 +1.400E+13 +0.000 +48210.0 ! *:_:* LLNL *:_:*
+ REV/ 8.889E+08 0.649 -1.649E+03 /
+IC8H18+O2=CC8H17+HO2 +7.000E+12 +0.000 +46060.0 ! *:_:* LLNL *:_:*
+ REV/ 1.279E+08 0.869 -4.990E+02 /
+IC8H18+O2=DC8H17+HO2 +4.200E+13 +0.000 +50760.0 ! *:_:* LLNL *:_:*
+ REV/ 4.584E+10 0.288 -7.920E+02 /
+IC8H18+C2H5=AC8H17+C2H6 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC8H18+C2H5=BC8H17+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+IC8H18+C2H5=CC8H17+C2H6 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.000 2.100E+04 /
+IC8H18+C2H5=DC8H17+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+IC8H18+C2H3=AC8H17+C2H4 +1.500E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.000 2.540E+04 /
+IC8H18+C2H3=BC8H17+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+IC8H18+C2H3=CC8H17+C2H4 +2.000E+11 +0.000 +14300.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+12 0.000 2.300E+04 /
+IC8H18+C2H3=DC8H17+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.000 2.540E+04 /
+XC7H14+CH3=AC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+13 0.30 2.832E+04 /
+IC4H8+IC4H9=AC8H17 +6.090E+02 +2.480 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 2.458E+14 -0.14 2.678E+04 /
+YC7H14+CH3=BC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 4.702E+12 0.48 2.821E+04 /
+OC7H14+CH3=BC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 3.598E+10 0.86 2.941E+04 /
+IC4H8+TC4H9=CC8H17 +6.090E+02 +2.480 +6130.0 ! *:_:* LLNL *:_:*
+ REV/ 6.245E+14 -0.14 2.589E+04 /
+PC7H14+CH3=DC8H17 +1.300E+03 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+11 0.69 2.957E+04 /
+C3H6+NEOC5H11=DC8H17 +4.000E+02 +2.500 +8520.0 ! *:_:* LLNL *:_:*
+ REV/ 3.734E+08 1.57 2.702E+04 /
+BC8H17=IC8H16+H +1.843E+12 +0.376 +35240.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.500 2.620E+03 /
+CC8H17=IC8H16+H +8.995E+11 +0.596 +37150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+12 0.500 1.230E+03 /
+CC8H17=JC8H16+H +4.213E+11 +0.777 +36690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.060E+12 0.500 1.230E+03 /
+CC8H17+O2=IC8H16+HO2 +3.000E-19 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+CC8H17+O2=JC8H16+HO2 +1.500E-19 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+DC8H17=JC8H16+H +1.484E+13 +0.196 +33090.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+11 0.500 2.620E+03 /
+AC8H17=DC8H17 +1.390E+11 +0.000 +15400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.163E+11 0.000 1.620E+04 /
+AC8H17=CC8H17 +3.708E+11 +0.000 +20400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.859E+10 0.581 2.619E+04 /
+DC8H17+O2=JC8H16+HO2 +2.000E-18 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.000 1.750E+04 /
+IC8H16+H=IC8H15+H2 +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.424E+12 0.029 1.957E+04 /
+JC8H16+H=IC8H15+H2 +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.603E+12 0.210 1.911E+04 /
+IC8H16+O=IC8H15+OH +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.797E+12 0.009 1.816E+04 /
+JC8H16+O=IC8H15+OH +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 8.417E+11 0.190 1.770E+04 /
+IC8H16+OH=IC8H15+H2O +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 3.643E+13 -0.077 3.446E+04 /
+JC8H16+OH=IC8H15+H2O +3.700E+13 +0.000 +3900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.706E+13 0.104 3.400E+04 /
+IC8H15=IC4H8+IC4H7-I1 +8.986E+24 -2.992 +53600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC8H16+CH3=IC8H15+CH4 +2.000E+12 +0.000 +7300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.689E+14 -0.417 2.451E+04 /
+JC8H16+CH3=IC8H15+CH4 +2.000E+12 +0.000 +7300.0 ! *:_:* LLNL *:_:*
+ REV/ 7.911E+13 -0.236 2.405E+04 /
+IC8H16+OH=CH3COCH3+NEOC5H11 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+JC8H16+OH=CH2O+PC7H15 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+JC8H16+O=CH2O+PC7H14 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8H18+CH3O2=AC8H17+CH3O2H +2.079E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O2=BC8H17+CH3O2H +1.016E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O2=CC8H17+CH3O2H +1.366E+02 +3.120 +13190.0 ! *:_:* LLNL *:_:*
+IC8H18+CH3O2=DC8H17+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+IC8H18+AC8H17O2=AC8H17+AC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=AC8H17+BC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=AC8H17+CC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=AC8H17+DC8H17O2H +1.814E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+AC8H17O2=BC8H17+AC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=BC8H17+BC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=BC8H17+CC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=BC8H17+DC8H17O2H +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+AC8H17O2=CC8H17+AC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=CC8H17+BC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=CC8H17+CC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=CC8H17+DC8H17O2H +2.000E+12 +0.000 +16000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+AC8H17O2=DC8H17+AC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+BC8H17O2=DC8H17+BC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+CC8H17O2=DC8H17+CC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+DC8H17O2=DC8H17+DC8H17O2H +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+IC8H18+O2CHO=AC8H17+HO2CHO +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.581E+02 2.300 3.062E+03 /
+IC8H18+O2CHO=BC8H17+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.160E+01 2.660 2.806E+03 /
+IC8H18+O2CHO=CC8H17+HO2CHO +2.800E+12 +0.000 +16010.0 ! *:_:* LLNL *:_:*
+ REV/ 3.109E+00 2.880 4.633E+03 /
+IC8H18+O2CHO=DC8H17+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.114E+03 2.300 3.862E+03 /
+IC8H18+IC4H6OH=AC8H17+IC4H7OH +7.050E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 2.768E-01 3.903 6.526E+03 /
+IC8H18+IC4H6OH=BC8H17+IC4H7OH +1.568E+02 +3.300 +18170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.072E-02 4.264 7.350E+03 /
+IC8H18+IC4H6OH=CC8H17+IC4H7OH +8.440E+01 +3.300 +17170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.661E-03 4.484 9.648E+03 /
+IC8H18+IC4H6OH=DC8H17+IC4H7OH +4.700E+02 +3.300 +19840.0 ! *:_:* LLNL *:_:*
+ REV/ 5.526E-01 3.903 7.326E+03 /
+AC8H17O2=AC8H17+O2 +3.465E+20 -1.653 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC8H17O2=BC8H17+O2 +1.046E+23 -2.323 +38840.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+CC8H17O2=CC8H17+O2 +3.620E+24 -2.560 +36010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC8H17O2=DC8H17+O2 +3.465E+20 -1.653 +34920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC8H17+AC8H17O2=2AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.479E+13 -0.155 2.936E+04 /
+AC8H17+BC8H17O2=AC8H17O+BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.991E+13 -0.123 2.823E+04 /
+AC8H17+CC8H17O2=AC8H17O+CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.354E+13 -0.163 3.017E+04 /
+AC8H17+DC8H17O2=AC8H17O+DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.252E+13 -0.155 2.936E+04 /
+BC8H17+AC8H17O2=BC8H17O+AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.035E+15 -0.794 3.135E+04 /
+BC8H17+BC8H17O2=2BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.960E+15 -0.761 3.022E+04 /
+BC8H17+CC8H17O2=BC8H17O+CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.071E+15 -0.801 3.216E+04 /
+BC8H17+DC8H17O2=BC8H17O+DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.535E+15 -0.794 3.135E+04 /
+CC8H17+AC8H17O2=CC8H17O+AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.458E+17 -1.070 3.046E+04 /
+CC8H17+BC8H17O2=CC8H17O+BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.123E+17 -1.038 2.933E+04 /
+CC8H17+CC8H17O2=2CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.797E+16 -1.078 3.127E+04 /
+CC8H17+DC8H17O2=CC8H17O+DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 7.317E+16 -1.070 3.046E+04 /
+DC8H17+AC8H17O2=DC8H17O+AC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.252E+13 -0.155 2.856E+04 /
+DC8H17+BC8H17O2=DC8H17O+BC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.505E+13 -0.123 2.743E+04 /
+DC8H17+CC8H17O2=DC8H17O+CC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.185E+13 -0.163 2.937E+04 /
+DC8H17+DC8H17O2=2DC8H17O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.632E+13 -0.155 2.856E+04 /
+AC8H17+HO2=AC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.180E+15 -0.508 2.588E+04 /
+BC8H17+HO2=BC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.040E+17 -1.146 2.787E+04 /
+CC8H17+HO2=CC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 4.906E+18 -1.423 2.698E+04 /
+DC8H17+HO2=DC8H17O+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.094E+15 -0.508 2.508E+04 /
+AC8H17+CH3O2=AC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.364E+14 -0.209 3.012E+04 /
+BC8H17+CH3O2=BC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.902E+16 -0.847 3.211E+04 /
+CC8H17+CH3O2=CC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.069E+17 -1.124 3.122E+04 /
+DC8H17+CH3O2=DC8H17O+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.844E+13 -0.209 2.932E+04 /
+AC8H17O2+HO2=AC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.067E+13 -0.803 3.362E+04 /
+BC8H17O2+HO2=BC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.746E+13 -0.791 3.361E+04 /
+CC8H17O2+HO2=CC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.752E+13 -0.792 3.361E+04 /
+DC8H17O2+HO2=DC8H17O2H+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.068E+13 -0.803 3.362E+04 /
+H2O2+AC8H17O2=HO2+AC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+H2O2+BC8H17O2=HO2+BC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+H2O2+CC8H17O2=HO2+CC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+H2O2+DC8H17O2=HO2+DC8H17O2H +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+AC8H17O2+CH3O2=AC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H17O2+CH3O2=BC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H17O2+CH3O2=CC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H17O2+CH3O2=DC8H17O+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2AC8H17O2=O2+2AC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2+BC8H17O2=AC8H17O+BC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2+CC8H17O2=AC8H17O+CC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2+DC8H17O2=AC8H17O+DC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2BC8H17O2=O2+2BC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H17O2+CC8H17O2=BC8H17O+CC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H17O2+DC8H17O2=BC8H17O+DC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2CC8H17O2=O2+2CC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H17O2+DC8H17O2=CC8H17O+DC8H17O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2DC8H17O2=O2+2DC8H17O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H17O2H=AC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.748E+07 1.948 -6.742E+03 /
+BC8H17O2H=BC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.462E+07 1.969 -7.862E+03 /
+CC8H17O2H=CC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.273E+07 1.929 -5.922E+03 /
+DC8H17O2H=DC8H17O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.771E+06 1.948 -6.742E+03 /
+AC8H17O=YC7H15+CH2O +5.689E+24 -3.208 +19140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+BC8H17O=TC4H9+IC3H7CHO +3.115E+26 -3.578 +15980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+BC8H17O=IC3H7+TC4H9CHO +3.327E+23 -2.891 +18470.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.290E+04 /
+CC8H17O=NEOC5H11+CH3COCH3 +1.206E+20 -1.671 +12340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+DC8H17O=PC7H15+CH2O +6.076E+22 -2.685 +20470.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+AC8H17O2=AC8H16OOH-A +7.500E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+AC8H17O2=AC8H16OOH-B +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+AC8H17O2=AC8H16OOH-C +1.563E+09 +0.000 +16650.0 ! *:_:* LLNL *:_:*
+AC8H17O2=AC8H16OOH-D +1.172E+09 +0.000 +25150.0 ! *:_:* LLNL *:_:*
+BC8H17O2=BC8H16OOH-A +1.125E+11 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+BC8H17O2=BC8H16OOH-C +1.000E+11 +0.000 +23700.0 ! *:_:* LLNL *:_:*
+BC8H17O2=BC8H16OOH-D +7.500E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+CC8H17O2=CC8H16OOH-A +1.406E+10 +0.000 +21950.0 ! *:_:* LLNL *:_:*
+CC8H17O2=CC8H16OOH-B +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+CC8H17O2=CC8H16OOH-D +6.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-A +1.758E+09 +0.000 +25150.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-B +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-C +1.000E+11 +0.000 +23700.0 ! *:_:* LLNL *:_:*
+DC8H17O2=DC8H16OOH-D +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+BC8H17O2=IC8H16+HO2 +8.530E+35 -7.220 +41490.0 ! *:_:* LLNL *:_:*
+CC8H17O2=IC8H16+HO2 +1.004E+39 -8.110 +42490.0 ! *:_:* LLNL *:_:*
+CC8H17O2=JC8H16+HO2 +2.015E+43 -9.410 +43490.0 ! *:_:* LLNL *:_:*
+DC8H17O2=JC8H16+HO2 +8.530E+35 -7.220 +41490.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-A=IC8ETERAA+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-B=IC8ETERAB+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-C=IC8ETERAC+OH +2.738E+10 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-D=IC8ETERAD+OH +3.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-C=IC8ETERBC+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-A=IC8ETERAB+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-D=IC8ETERBD+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OOH-D=IC8ETERCD+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OOH-B=IC8ETERBC+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OOH-A=IC8ETERAC+OH +2.738E+10 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-C=IC8ETERCD+OH +1.800E+12 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-D=IC8ETERDD+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-B=IC8ETERBD+OH +3.000E+11 +0.000 +14250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-A=IC8ETERAD+OH +3.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-C=IC8H16+HO2 +1.526E+20 -2.395 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+CC8H16OOH-D=JC8H16+HO2 +1.174E+22 -2.718 +16740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+CC8H16OOH-B=IC8H16+HO2 +1.132E+21 -2.504 +22960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+DC8H16OOH-C=JC8H16+HO2 +1.883E+18 -1.821 +14960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+AC8H16OOH-A=OH+CH2O+XC7H14 +9.087E+17 -1.260 +28580.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-B=OH+CH2O+YC7H14 +1.252E+17 -1.080 +28210.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-A=OH+IC3H7CHO+IC4H8 +3.118E+21 -2.430 +26330.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16OOH-D=OH+TC4H9CHO+C3H6 +1.293E+21 -2.200 +32970.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-B=OH+CH2O+OC7H14 +1.120E+15 -0.460 +30930.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16OOH-D=OH+CH2O+PC7H14 +8.013E+15 -0.650 +30890.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+AC8H16OOH-A=XC7H13OOH-X1+CH3 +2.811E+17 -1.170 +28530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.090E+04 /
+AC8H16OOH-A=IC4H7OOH+TC4H9 +1.513E+24 -3.080 +26840.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.230E+04 /
+AC8H16OOH-B=YC7H13OOH-X1+CH3 +1.034E+16 -0.820 +27450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.090E+04 /
+AC8H16OOH-B=OC7H13OOH-N+CH3 +3.765E+14 -0.550 +27330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.020E+04 /
+BC8H16OOH-A=XC7H13OOH-Z+CH3 +2.142E+16 -0.780 +29150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.060E+04 /
+BC8H16OOH-D=PC7H13OOH-O+CH3 +1.395E+15 -0.720 +31780.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 9.200E+03 /
+DC8H16OOH-B=OC7H13OOH-Q+CH3 +2.492E+14 -0.450 +26930.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 9.200E+03 /
+DC8H16OOH-B=YC7H13OOH-X2+CH3 +4.771E+17 -1.010 +29600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.360E+04 /
+DC8H16OOH-D=NEOC5H11+AC3H5OOH +2.009E+22 -2.400 +30980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 9.200E+03 /
+AC8H16OOH-C=IC4H8+IC4H8O2H-T +5.567E+21 -2.400 +27120.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 7.800E+03 /
+CC8H16OOH-A=IC4H8+TC4H8O2H-I +1.734E+23 -2.790 +29800.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.060E+04 /
+CC8H16OOH-A=XC7H13OOH-Y2+CH3 +3.516E+17 -1.280 +27140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+11 0.000 1.060E+04 /
+AC8H16OOH-D=C3H6+NEOC5H10OOH +2.023E+19 -1.900 +28830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.423E+11 -0.300 9.864E+03 /
+AC8H16OOH-AO2=AC8H16OOH-A+O2 +3.251E+20 -1.643 +34920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC8H16OOH-BO2=AC8H16OOH-B+O2 +1.361E+23 -2.357 +37280.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+AC8H16OOH-CO2=AC8H16OOH-C+O2 +3.258E+24 -2.544 +36700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+AC8H16OOH-DO2=AC8H16OOH-D+O2 +3.251E+20 -1.643 +34920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC8H16OOH-CO2=BC8H16OOH-C+O2 +1.534E+24 -2.437 +36620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+BC8H16OOH-AO2=BC8H16OOH-A+O2 +2.979E+20 -1.632 +34900.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+BC8H16OOH-DO2=BC8H16OOH-D+O2 +2.980E+20 -1.632 +34900.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC8H16OOH-DO2=CC8H16OOH-D+O2 +1.683E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+CC8H16OOH-BO2=CC8H16OOH-B+O2 +1.106E+23 -2.328 +38060.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+CC8H16OOH-AO2=CC8H16OOH-A+O2 +3.355E+20 -1.647 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC8H16OOH-CO2=DC8H16OOH-C+O2 +3.274E+24 -2.544 +37500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+13 0.000 0.000E+00 /
+DC8H16OOH-DO2=DC8H16OOH-D+O2 +1.632E+20 -1.643 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+DC8H16OOH-BO2=DC8H16OOH-B+O2 +1.362E+23 -2.357 +38080.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+DC8H16OOH-AO2=DC8H16OOH-A+O2 +3.251E+20 -1.643 +35720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+AC8H16OOH-AO2=IC8KETAA+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-BO2=IC8KETAB+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-CO2=IC8KETAC+OH +3.125E+09 +0.000 +18950.0 ! *:_:* LLNL *:_:*
+AC8H16OOH-DO2=IC8KETAD+OH +3.906E+08 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+BC8H16OOH-CO2=IC8KETBC+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+BC8H16OOH-AO2=IC8KETBA+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+BC8H16OOH-DO2=IC8KETBD+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-CO2=IC8KETDC+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-DO2=IC8KETDD+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-BO2=IC8KETDB+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+DC8H16OOH-AO2=IC8KETDA+OH +3.906E+08 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+IC8ETERAA+OH=XC7H14+HCO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+OH=YC7H14+HCO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+OH=IC4H8+TC3H6CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+OH=C3H6+TC4H8CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+OH=IC3H5CHO+TC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+OH=OC7H14+HCO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+OH=IC3H5CHO+TC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+OH=C2H3CHO+NEOC5H11+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAA+OH=IC3H5CHO+IC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+OH=IC4H8+IC3H7CO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+OH=CH2O+YC7H13-Y2+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+OH=IC4H8+IC3H6CHO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+OH=IC3H6CO+TC4H9+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+OH=C3H6+TC4H9CO+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+OH=CH2O+PC7H13-O+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+OH=CH2O+PC7H13-O+H2O +1.250E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAA+HO2=XC7H14+HCO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+HO2=YC7H14+HCO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+HO2=IC4H8+TC3H6CHO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+HO2=C3H6+TC4H8CHO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+HO2=IC3H5CHO+TC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+HO2=OC7H14+HCO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+HO2=IC3H5CHO+TC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+HO2=C2H3CHO+NEOC5H11+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAA+HO2=IC3H5CHO+IC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAB+HO2=IC4H8+IC3H7CO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAC+HO2=CH2O+YC7H13-Y2+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERAD+HO2=IC4H8+IC3H6CHO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBC+HO2=IC3H6CO+TC4H9+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERBD+HO2=C3H6+TC4H9CO+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERCD+HO2=CH2O+PC7H13-O+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8ETERDD+HO2=CH2O+PC7H13-O+H2O2 +2.500E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAA=CH2O+DC6H12CHO-D+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAB=IC3H7CHO+TC3H6CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAC=CH3COCH3+TC4H8CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETAD=CH2O+DC6H12CHO-B+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETBC=CH3COCH3+TC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETBA=CH2O+IC3H7COC3H6-T+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETBD=CH2O+TC4H9COC2H4S+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDC=NEOC5H11COCH3+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDD=CH2O+HC6H12CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDB=TC4H9CHO+CH3CHCHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC8KETDA=BC6H12CHO-D+CH2O+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16OH-B=IC8H16+OH +5.836E+16 -1.010 +35400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+BC8H16OH-C=IC8H16+OH +6.328E+15 -0.800 +34880.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CC8H16OH-D=JC8H16+OH +8.350E+17 -1.260 +32550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+DC8H16OH-C=JC8H16+OH +1.028E+14 -0.360 +29950.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 -1.042E+03 /
+CC8H16OH-D=NEOC5H11+IC3H5OH +1.617E+22 -2.490 +31020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+BC8H16OH-C=TC4H9+IC4H7OH +3.441E+22 -2.640 +32690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.200E+03 /
+CC8H16OH-BO2=CC8H16OH-B+O2 +7.675E+20 -2.000 +35510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+12 0.000 0.000E+00 /
+BC8H16OH-CO2=BC8H16OH-C+O2 +1.033E+22 -2.180 +34770.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CC8H16OH-DO2=CC8H16OH-D+O2 +1.963E+18 -1.450 +34310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.000 0.000E+00 /
+DC8H16OH-CO2=DC8H16OH-C+O2 +1.638E+22 -2.160 +34730.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 0.000E+00 /
+CC8H16OH-BO2=CC8H16O-BO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.419E+15 -0.930 3.590E+03 /
+BC8H16OH-CO2=BC8H16O-CO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.382E+15 -0.920 3.580E+03 /
+CC8H16OH-DO2=CC8H16O-DO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.418E+15 -0.930 3.580E+03 /
+DC8H16OH-CO2=DC8H16O-CO2H +1.200E+12 +0.000 +18900.0 ! *:_:* LLNL *:_:*
+ REV/ 1.420E+15 -0.930 3.590E+03 /
+CC8H16O-BO2H=TC4H9CHO+CH3COCH3+OH +3.861E+23 -3.090 +13000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+BC8H16O-CO2H=TC4H9CHO+CH3COCH3+OH +1.611E+23 -2.870 +15090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+CC8H16O-DO2H=NEOC5H11COCH3+CH2O+OH +8.325E+18 -1.470 +17910.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+DC8H16O-CO2H=NEOC5H11COCH3+CH2O+OH +5.850E+20 -2.070 +16880.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+IC6H13CHO-B+OH=IC6H13CO-B+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.572E+12 -0.030 3.095E+04 /
+IC6H13CHO-B+OH=AC6H12CHO-B+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.174E+07 1.520 2.821E+04 /
+IC6H13CHO-B+OH=CC6H12CHO-B+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.905E+05 1.980 2.186E+04 /
+IC6H13CHO-B+OH=DC6H12CHO-B+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.905E+05 1.980 2.186E+04 /
+IC6H13CHO-B+OH=EC6H12CHO-B+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.093E+09 0.960 2.102E+04 /
+IC6H13CHO-B+HO2=IC6H13CO-B+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.531E+12 -0.360 1.202E+04 /
+IC6H13CHO-B+HO2=AC6H12CHO-B+H2O2 +5.520E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 6.797E+04 2.210 4.452E+03 /
+IC6H13CHO-B+HO2=CC6H12CHO-B+H2O2 +2.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+03 2.640 4.342E+03 /
+IC6H13CHO-B+HO2=DC6H12CHO-B+H2O2 +2.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.543E+03 2.640 4.342E+03 /
+IC6H13CHO-B+HO2=EC6H12CHO-B+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.398E+04 2.210 4.452E+03 /
+IC6H13CHO-B+CH3O2=IC6H13CO-B+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.862E+13 -0.530 1.130E+04 /
+IC6H13CHO-B+CH3O2=AC6H12CHO-B+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.408E+05 2.040 3.746E+03 /
+IC6H13CHO-B+CH3O2=CC6H12CHO-B+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.535E+11 -0.140 6.764E+03 /
+IC6H13CHO-B+CH3O2=DC6H12CHO-B+CH3O2H +1.770E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.535E+11 -0.140 6.764E+03 /
+IC6H13CHO-B+CH3O2=EC6H12CHO-B+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.051E+13 -0.510 6.627E+03 /
+IC6H13CO-B=BC6H13+CO +1.164E+21 -2.320 +11000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC6H13CO-B=IC3H6CO+NC3H7 +5.078E+20 -1.910 +38720.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+AC6H12CHO-B=AC6H12+HCO +9.365E+18 -1.660 +19830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+AC6H12CHO-B=IC3H5CHO+NC3H7 +4.476E+19 -1.810 +27120.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+CC6H12CHO-B=BC6H12+HCO +6.473E+17 -1.460 +25210.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+DC6H12CHO-B=C3H6+TC3H6CHO +2.730E+17 -1.450 +21020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+EC6H12CHO-B=C2H4+TC4H8CHO +5.062E+18 -1.570 +30410.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+IC6H13CHO-D+OH=IC6H13CO-D+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.179E+12 0.000 3.092E+04 /
+IC6H13CHO-D+OH=AC6H12CHO-D+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.141E+07 1.520 2.821E+04 /
+IC6H13CHO-D+OH=BC6H12CHO-D+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 5.982E+09 0.570 2.314E+04 /
+IC6H13CHO-D+OH=CC6H12CHO-D+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 2.545E+05 2.060 2.159E+04 /
+IC6H13CHO-D+OH=DC6H12CHO-D+H2O +1.684E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.091E+13 -0.170 2.991E+04 /
+IC6H13CHO-D+OH=EC6H12CHO-D+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.082E+09 0.960 2.102E+04 /
+IC6H13CHO-D+HO2=IC6H13CO-D+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.152E+13 -0.330 1.200E+04 /
+IC6H13CHO-D+HO2=AC6H12CHO-D+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.801E+04 2.210 4.466E+03 /
+IC6H13CHO-D+HO2=BC6H12CHO-D+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.687E+09 0.240 4.382E+03 /
+IC6H13CHO-D+HO2=CC6H12CHO-D+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.340E+11 0.090 8.072E+03 /
+IC6H13CHO-D+HO2=DC6H12CHO-D+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.075E+12 -0.500 1.115E+04 /
+IC6H13CHO-D+HO2=EC6H12CHO-D+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.363E+04 2.210 4.452E+03 /
+IC6H13CHO-D+CH3O2=IC6H13CO-D+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.417E+13 -0.510 1.295E+04 /
+IC6H13CHO-D+CH3O2=AC6H12CHO-D+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.384E+05 2.040 3.746E+03 /
+IC6H13CHO-D+CH3O2=BC6H12CHO-D+CH3O2H +3.610E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.128E+02 2.620 2.274E+03 /
+IC6H13CHO-D+CH3O2=CC6H12CHO-D+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.655E+03 2.520 3.562E+03 /
+IC6H13CHO-D+CH3O2=DC6H12CHO-D+CH3O2H +3.610E+03 +2.550 +10030.0 ! *:_:* LLNL *:_:*
+ REV/ 5.703E+05 1.880 8.544E+03 /
+IC6H13CHO-D+CH3O2=EC6H12CHO-D+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 3.020E+13 -0.510 6.627E+03 /
+IC6H13CO-D=DC6H13+CO +3.730E+18 -1.630 +12840.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+IC6H13CO-D=CH3CHCO+IC4H9 +3.828E+19 -1.640 +39740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+AC6H12CHO-D=C3H6+IC3H6CHO +8.430E+18 -1.630 +32600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+BC6H12CHO-D=IC4H8+CH3CHCHO +1.969E+17 -1.500 +23960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+CC6H12CHO-D=CC6H12+HCO +2.806E+15 -0.940 +26460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+DC6H12CHO-D=IC3H5CHO+IC3H7 +7.829E+15 -0.600 +31510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 8.300E+03 /
+EC6H12CHO-D=DC6H12+HCO +3.838E+16 -1.190 +26660.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H7COC3H7-I+OH=IC3H7COC3H6-I+H2O +3.060E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 3.078E+07 1.530 2.821E+04 /
+IC3H7COC3H7-I+OH=IC3H7COC3H6-T+H2O +3.368E+12 +0.000 -781.0 ! *:_:* LLNL *:_:*
+ REV/ 1.156E+13 -0.080 2.983E+04 /
+IC3H7COC3H7-I+HO2=IC3H7COC3H6-I+H2O2 +5.480E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.272E+04 2.220 3.472E+03 /
+IC3H7COC3H7-I+HO2=IC3H7COC3H6-T+H2O2 +1.600E+11 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 3.260E+12 -0.410 1.107E+04 /
+IC3H7COC3H7-I+CH3O2=IC3H7COC3H6-I+CH3O2H +4.000E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 9.814E+04 2.040 2.752E+03 /
+IC3H7COC3H7-I+CH3O2=IC3H7COC3H6-T+CH3O2H +7.220E+03 +2.550 +8032.0 ! *:_:* LLNL *:_:*
+ REV/ 6.045E+05 1.970 6.464E+03 /
+IC3H7COC3H6-I=C3H6+IC3H7CO +1.859E+19 -1.670 +28050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC3H7COC3H6-T=IC3H6CO+IC3H7 +1.217E+17 -0.630 +42050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+TC4H9COC2H5+OH=TC4H8COC2H5+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.716E+07 1.520 2.021E+04 /
+TC4H9COC2H5+OH=TC4H9COC2H4P+H2O +5.720E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.178E+09 0.960 2.102E+04 /
+TC4H9COC2H5+OH=TC4H9COC2H4S+H2O +8.950E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.587E+13 -0.220 2.862E+04 /
+TC4H9COC2H5+HO2=TC4H8COC2H5+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.679E+04 2.210 3.472E+03 /
+TC4H9COC2H5+HO2=TC4H9COC2H4P+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.909E+04 2.210 4.462E+03 /
+TC4H9COC2H5+HO2=TC4H9COC2H4S+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.106E+13 -0.550 6.080E+03 /
+TC4H9COC2H5+CH3O2=TC4H8COC2H5+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+05 2.040 2.752E+03 /
+TC4H9COC2H5+CH3O2=TC4H9COC2H4P+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.512E+13 -0.510 6.632E+03 /
+TC4H9COC2H5+CH3O2=TC4H9COC2H4S+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 8.653E+14 -0.720 1.191E+04 /
+TC4H8COC2H5=IC4H8+C2H5CO +2.900E+22 -2.700 +27530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H8COC2H5=IC3H5COC2H5+CH3 +2.726E+16 -1.080 +28110.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H9COC2H4P=C2H4+TC4H9CO +2.701E+17 -1.510 +26110.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.000 7.800E+03 /
+TC4H9COC2H4S=CH3CHCO+TC4H9 +4.600E+20 -1.890 +38250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H11COCH3+OH=NEOC5H11COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.077E+11 -0.010 2.063E+04 /
+NEOC5H11COCH3+OH=NEOC5H10COCH3+H2O +2.290E+08 +1.530 +775.0 ! *:_:* LLNL *:_:*
+ REV/ 4.838E+07 1.520 2.021E+04 /
+NEOC5H11COCH3+OH=TC4H9CHCOCH3+H2O +8.950E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.823E+13 -0.240 2.864E+04 /
+NEOC5H11COCH3+HO2=TC4H9CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.419E+13 -0.560 6.100E+03 /
+NEOC5H11COCH3+HO2=NEOC5H11COCH2+H2O2 +2.380E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.985E+04 2.210 3.472E+03 /
+NEOC5H11COCH3+HO2=NEOC5H10COCH3+H2O2 +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 3.775E+04 2.210 3.472E+03 /
+NEOC5H11COCH3+CH3O2=NEOC5H11COCH2+CH3O2H +3.010E+13 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.551E+14 -0.510 4.832E+03 /
+NEOC5H11COCH3+CH3O2=NEOC5H10COCH3+CH3O2H +3.010E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.551E+05 2.040 2.752E+03 /
+NEOC5H11COCH3+CH3O2=TC4H9CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 9.939E+14 -0.740 1.193E+04 /
+NEOC5H11COCH2=CH2CO+NEOC5H11 +7.583E+16 -1.100 +36710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+NEOC5H10COCH3=IC4H8+CH3COCH2 +1.270E+21 -2.310 +28580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC5H10COCH3=IC4H7COCH3+CH3 +2.331E+17 -1.220 +32560.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+TC4H9CHCOCH3=IC3H6CHCOCH3+CH3 +1.896E+18 -1.330 +34130.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+NEOC6H13CHO+OH=NEOC6H13CO+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.399E+12 -0.020 3.094E+04 /
+NEOC6H13CHO+OH=GC6H12CHO+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+06 1.850 2.199E+04 /
+NEOC6H13CHO+OH=HC6H12CHO+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.174E+09 1.340 2.887E+04 /
+NEOC6H13CHO+OH=FC6H12CHO+H2O +1.290E+10 +1.050 +1810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.531E+09 1.050 2.125E+04 /
+NEOC6H13CHO+HO2=NEOC6H13CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.183E+13 -0.350 1.369E+04 /
+NEOC6H13CHO+HO2=GC6H12CHO+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.250E+03 2.520 4.472E+03 /
+NEOC6H13CHO+HO2=HC6H12CHO+H2O2 +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.194E+13 -0.590 9.362E+03 /
+NEOC6H13CHO+HO2=FC6H12CHO+H2O2 +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.956E+13 -0.330 7.372E+03 /
+NEOC6H13CHO+CH3O2=NEOC6H13CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.737E+13 -0.520 8.872E+03 /
+NEOC6H13CHO+CH3O2=GC6H12CHO+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.247E+12 -0.260 6.894E+03 /
+NEOC6H13CHO+CH3O2=HC6H12CHO+CH3O2H +8.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.905E+13 -0.770 8.642E+03 /
+NEOC6H13CHO+CH3O2=FC6H12CHO+CH3O2H +1.680E+13 +0.000 +19400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.039E+13 -0.510 6.652E+03 /
+NEOC6H13CO=HC6H13+CO +1.820E+16 -1.190 +13370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.000 4.810E+03 /
+NEOC6H13CO=NEOC5H11+CH2CO +2.040E+17 -1.180 +37200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+GC6H12CHO=NEOC6H12+HCO +3.453E+14 -0.830 +25460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+HC6H12CHO=C2H3CHO+TC4H9 +6.884E+19 -1.760 +27690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+FC6H12CHO=IC4H8+CH2CH2CHO +8.235E+22 -2.670 +32770.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.060E+04 /
+IC4H7COCH3+OH=IC4H7COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.009E+13 -0.690 2.766E+04 /
+IC4H7COCH3+OH=IC3H5CHCOCH3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.445E+13 -0.210 2.862E+04 /
+IC4H7COCH3+OH=AC3H4CH2COCH3+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 5.431E+08 1.390 3.246E+04 /
+IC4H7COCH3+HO2=IC4H7COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.665E+07 1.530 9.691E+03 /
+IC4H7COCH3+HO2=IC3H5CHCOCH3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.030E+13 -0.540 6.080E+03 /
+IC4H7COCH3+HO2=AC3H4CH2COCH3+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 9.961E+06 1.660 1.521E+04 /
+IC4H7COCH3+CH3O2=IC4H7COCH2+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 8.652E+15 -1.190 1.366E+04 /
+IC4H7COCH3+CH3O2=IC3H5CHCOCH3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 8.342E+14 -0.720 1.191E+04 /
+IC4H7COCH3+CH3O2=AC3H4CH2COCH3+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.278E+16 -1.110 1.995E+04 /
+IC4H7COCH2=IC4H7+CH2CO +1.161E+19 -1.760 +39180.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 8.600E+03 /
+IC3H5CHCOCH3=C4H6+CH3CO +4.284E+19 -1.820 +36750.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.300E+04 /
+AC3H4CH2COCH3=C3H4-A+CH3COCH2 +6.837E+21 -2.470 +53970.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 9.600E+03 /
+XC7H13OOH-X1=XC7H13O-X1+OH +2.021E+20 -1.580 +47710.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+YC7H13OOH-X1=YC7H13O-X1+OH +4.178E+20 -1.680 +47810.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+XC7H13OOH-Z=XC7H13O-Z+OH +3.762E+21 -1.880 +46430.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+XC7H13OOH-Y2=XC7H13O-Y2+OH +8.652E+19 -1.310 +46020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+YC7H13OOH-X2=YC7H13O-X2+OH +1.879E+20 -1.520 +47030.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+OC7H13OOH-N=OC7H13O-N+OH +1.828E+20 -1.510 +47020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+OC7H13OOH-Q=OC7H13O-Q+OH +4.187E+20 -1.680 +47840.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+PC7H13OOH-O=PC7H13O-O+OH +8.219E+19 -1.170 +42490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.000 0.000E+00 /
+XC7H13O-X1=CH2O+DC6H11-D +2.896E+21 -2.389 +34880.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H13O-X1=CH2O+CC6H11-D +2.665E+21 -2.378 +34870.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+XC7H13O-Y2=CH3COCH3+IC4H7 +4.259E+19 -1.670 +16530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+YC7H13O-X2=CH2O+CC6H11-B +5.285E+25 -2.062 +35170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.190E+04 /
+OC7H13O-N=CH2O+CC6H11-B +1.138E+18 -1.750 +2305.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+OC7H13O-Q=CH2O+NEOC6H11 +2.715E+16 -0.990 +29510.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 9.600E+03 /
+CC6H11-D=C3H4-P+IC3H7 +4.791E+12 +0.280 +28960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+DC6H11-D=C3H4-A+IC3H7 +2.693E+16 -0.890 +30540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 7.800E+03 /
+IC4H6OH+H2O=IC4H7OH+OH +5.875E+06 +1.927 +30240.0 ! *:_:* LLNL *:_:*
+ REV/ 3.120E+06 2.000 -2.980E+02 /
+IC4H6OH+CH4=IC4H7OH+CH3 +3.570E+02 +3.087 +22870.0 ! *:_:* LLNL *:_:*
+ REV/ 2.210E+00 3.500 5.675E+03 /
+IC4H6OH+C3H6=IC4H7OH+C3H5-A +2.508E+02 +3.168 +18640.0 ! *:_:* LLNL *:_:*
+ REV/ 5.750E+02 3.150 1.866E+04 /
+IC4H6OH+CH3CHO=IC4H7OH+CH3CO +1.357E+09 +1.400 +17940.0 ! *:_:* LLNL *:_:*
+ REV/ 5.300E+06 2.000 1.624E+04 /
+C3H5-A+CH2O=C3H6+HCO +6.300E+08 +1.900 +18190.0 ! *:_:* LLNL *:_:*
+ REV/ 9.165E+06 2.171 1.770E+04 /
+IC3H6CHCOCH3+OH=AC3H5CHCOCH3+H2O +1.530E+08 +1.530 +8775.0 ! *:_:* LLNL *:_:*
+ REV/ 1.339E+10 1.010 4.143E+04 /
+IC3H6CHCOCH3+OH=IC3H6CHCOCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.120E+07 -0.460 2.807E+04 /
+IC3H6CHCOCH3+OH=IC3H7CHO+CH3CO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 3.844E+06 1.020 1.555E+04 /
+IC3H6CHCOCH3+HO2=AC3H5CHCOCH3+H2O2 +2.740E+04 +2.550 +15500.0 ! *:_:* LLNL *:_:*
+ REV/ 1.423E+07 1.710 1.669E+04 /
+IC3H6CHCOCH3+HO2=IC3H6CHCOCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.695E+01 1.760 1.011E+04 /
+IC3H6CHCOCH3+CH3O2=AC3H5CHCOCH3+CH3O2H +5.000E+10 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.067E+14 -1.020 1.239E+04 /
+IC3H6CHCOCH3+CH3O2=IC3H6CHCOCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 8.811E+09 -0.960 1.227E+04 /
+AC3H5CHCOCH3+HO2=IC3H5CHO+CH3CO+OH +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.000 0.000E+00 /
+IC3H6CHCOCH2=IC4H7+CH2CO +1.401E+14 -1.640 +50750.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.000 1.190E+04 /
+NC5H12=C5H11-1+H +1.375E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NC5H12=C5H11-2+H +3.325E+18 -0.763 +98800.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NC5H12=C5H11-3+H +1.602E+18 -0.758 +98790.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.000 0.000E+00 /
+NC5H12=CH3+PC4H9 +6.101E+22 -1.862 +89430.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NC5H12=NC3H7+C2H5 +3.082E+24 -2.269 +88440.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.000 -5.960E+02 /
+NC5H12+H=C5H11-1+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.972E+01 3.386 8.610E+03 /
+NC5H12+H=C5H11-2+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.128E+01 3.439 9.236E+03 /
+NC5H12+H=C5H11-3+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.171E+01 3.434 9.244E+03 /
+NC5H12+OH=C5H11-1+H2O +1.054E+10 +0.970 +1590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.172E+07 1.500 1.881E+04 /
+NC5H12+OH=C5H11-2+H2O +9.340E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.297E+03 2.543 1.962E+04 /
+NC5H12+OH=C5H11-3+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 4.459E+03 2.538 1.963E+04 /
+NC5H12+O=C5H11-1+OH +2.092E+06 +2.424 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.139E+02 3.041 5.684E+03 /
+NC5H12+O=C5H11-2+OH +1.189E+06 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 2.678E+00 3.459 6.199E+03 /
+NC5H12+O=C5H11-3+OH +5.946E+05 +2.439 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 2.779E+00 3.454 6.207E+03 /
+NC5H12+CH3=C5H11-1+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.653E-02 3.840 1.102E+04 /
+NC5H12+CH3=C5H11-2+CH4 +1.680E+05 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 6.650E+02 2.726 1.388E+04 /
+NC5H12+CH3=C5H11-3+CH4 +8.400E+04 +2.133 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 6.901E+02 2.721 1.389E+04 /
+NC5H12+HO2=C5H11-1+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.477E+00 3.531 3.490E+03 /
+NC5H12+HO2=C5H11-2+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 3.173E-01 3.714 2.483E+03 /
+NC5H12+HO2=C5H11-3+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 3.293E-01 3.709 2.491E+03 /
+NC5H12+CH3O2=C5H11-1+CH3O2H +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 4.818E+01 3.086 1.895E+03 /
+NC5H12+CH3O2=C5H11-2+CH3O2H +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 6.173E+00 3.269 8.880E+02 /
+NC5H12+CH3O2=C5H11-3+CH3O2H +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 6.406E+00 3.264 8.960E+02 /
+NC5H12+C2H5=C5H11-1+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.000 1.230E+04 /
+NC5H12+C2H5=C5H11-2+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C2H5=C5H11-3+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C2H3=C5H11-1+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.600E+12 0.000 2.540E+04 /
+NC5H12+C2H3=C5H11-2+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NC5H12+C2H3=C5H11-3+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.000 2.420E+04 /
+NC5H12+C5H11-1=C5H11-2+NC5H12 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C5H11-1=C5H11-3+NC5H12 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.290E+04 /
+NC5H12+C5H11-2=C5H11-3+NC5H12 +5.000E+10 +0.000 +12300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.230E+04 /
+NC5H12+O2CHO=C5H11-1+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.368E+00 3.110 2.295E+03 /
+NC5H12+O2CHO=C5H11-2+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.306E+03 2.130 4.147E+03 /
+NC5H12+O2CHO=C5H11-3+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.318E+03 2.130 4.149E+03 /
+NC5H12+CH3O=C5H11-1+CH3OH +3.000E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.000 9.200E+03 /
+NC5H12+CH3O=C5H11-2+CH3OH +2.200E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+09 0.000 7.200E+03 /
+NC5H12+CH3O=C5H11-3+CH3OH +1.100E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.000E+09 0.000 7.200E+03 /
+NC5H12+O2=C5H11-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.311E+10 0.288 4.460E+02 /
+NC5H12+O2=C5H11-2+HO2 +2.800E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 6.370E+08 0.691 2.310E+02 /
+NC5H12+O2=C5H11-3+HO2 +1.400E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 6.611E+08 0.686 2.390E+02 /
+C5H11-1=C2H4+NC3H7 +3.205E+12 +0.451 +29430.0 ! *:_:* LLNL *:_:*
+ REV/ 8.800E+03 2.480 6.130E+03 /
+C5H11-1=H+C5H10-1 +3.354E+11 +0.608 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+C5H11-1=C5H11-2 +3.875E+09 +0.353 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.602E+08 0.756 2.220E+04 /
+C5H11-2=C3H6+C2H5 +1.223E+12 +0.635 +29360.0 ! *:_:* LLNL *:_:*
+ REV/ 8.800E+03 2.480 6.130E+03 /
+C5H11-2=C5H10-1+H +2.353E+10 +1.011 +36680.0 ! *:_:* LLNL *:_:*
+ REV/ 4.240E+11 0.510 1.230E+03 /
+C5H11-2=C5H10-2+H +3.988E+11 +0.410 +35220.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+C5H11-3=C4H8-1+CH3 +6.343E+10 +1.119 +30460.0 ! *:_:* LLNL *:_:*
+ REV/ 1.760E+04 2.480 6.130E+03 /
+C5H11-3=C5H10-2+H +8.277E+11 +0.405 +35230.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.510 2.620E+03 /
+C5H10-1=C2H5+C3H5-A +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+C5H10-2=CH3+C4H71-3 +1.000E+16 +0.000 +73000.0 ! *:_:* LLNL *:_:*
+C5H91-3+H=C5H10-1 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+H=C5H10-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+H=C5H10-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10-1+H=C5H91-3+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C5H10-1+H=C5H91-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C5H10-1+H=C5H91-5+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C5H10-1+O=C5H91-3+OH +6.600E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C5H10-1+O=C5H91-4+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C5H10-1+O=C5H91-5+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H91-3+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H91-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H91-5+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3=C5H91-3+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3=C5H91-4+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3=C5H91-5+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C5H10-1+O2=C5H91-3+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C5H10-1+O2=C5H91-4+HO2 +2.000E+13 +0.000 +49640.0 ! *:_:* LLNL *:_:*
+C5H10-1+O2=C5H91-5+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* LLNL *:_:*
+C5H10-1+HO2=C5H91-3+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-1+HO2=C5H91-4+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C5H10-1+HO2=C5H91-5+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O2=C5H91-3+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O2=C5H91-4+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O2=C5H91-5+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O=C5H91-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O=C5H91-4+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C5H10-1+CH3O=C5H91-5+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C5H10-2+H=C5H91-3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+C5H10-2+H=C5H92-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C5H10-2+H=C5H92-5+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C5H10-2+O=C5H91-3+OH +4.410E+05 +2.420 +3150.0 ! *:_:* LLNL *:_:*
+C5H10-2+O=C5H92-4+OH +9.900E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C5H10-2+O=C5H92-5+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H91-3+H2O +3.120E+06 +2.000 -1298.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H92-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H92-5+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3=C5H91-3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3=C5H92-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3=C5H92-5+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C5H10-2+O2=C5H91-3+HO2 +3.300E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+C5H10-2+O2=C5H92-4+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C5H10-2+O2=C5H92-5+HO2 +3.000E+13 +0.000 +52290.0 ! *:_:* LLNL *:_:*
+C5H10-2+HO2=C5H91-3+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* LLNL *:_:*
+C5H10-2+HO2=C5H92-4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-2+HO2=C5H92-5+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O2=C5H91-3+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O2=C5H92-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O2=C5H92-5+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O=C5H91-3+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O=C5H92-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C5H10-2+CH3O=C5H92-5+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C5H91-3+HO2=C5H9O1-3+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+CH3O2=C5H9O1-3+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+C2H5O2=C5H9O1-3+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+HO2=C5H9O2-4+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+CH3O2=C5H9O2-4+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+C2H5O2=C5H9O2-4+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H6+CH3=C5H91-3 +1.200E+11 +0.000 +7500.0 ! *:_:* LLNL *:_:*
+C3H6+C2H3=C5H91-4 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C2H4+C3H5-A=C5H91-5 +4.000E+11 +0.000 +13050.0 ! *:_:* LLNL *:_:*
+C3H5-T+C2H4=C5H92-5 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H91-3 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H91-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H92-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H9O1-3=C2H3CHO+C2H5 +3.131E+19 -1.850 +10670.0 ! *:_:* LLNL *:_:*
+C5H9O1-3=C2H5CHO+C2H3 +1.417E+18 -1.560 +23340.0 ! *:_:* LLNL *:_:*
+C5H9O2-4=CH3CHO+C3H5-S +1.073E+22 -2.660 +29650.0 ! *:_:* LLNL *:_:*
+C5H81-3+OH=CH2O+C4H71-3 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81-3+OH=C2H3CHO+C2H5 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81-3+OH=CH3CHO+C3H5-S +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=C5H10OH-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10OH-1+O2=O2C5H10OH-1 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C5H10OH-1=NC3H7CHO+CH2O+OH +2.000E+12 +0.000 +26800.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=C5H10OH-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H10OH-2+O2=O2C5H10OH-2 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C5H10OH-2=C2H5CHO+CH3CHO+OH +2.000E+12 +0.000 +26800.0 ! *:_:* LLNL *:_:*
+C4H71-4+CH3=C5H10-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+O2=C5H92O2-1 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-3+O2=C5H91O2-3 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-4+O2=C5H91O2-4 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-5+O2=C5H91O2-5 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-4+O2=C5H92O2-4 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-5+O2=C5H92O2-5 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-5=C5H91-3 +3.800E+10 +0.700 +28400.0 ! *:_:* LLNL *:_:*
+C5H91O2-3=C5H81-3+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81-3+HO2 +5.040E+38 -8.110 +38500.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81-4+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C5H91O2-5=C5H81-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C5H92O2-4=C5H81-3+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C5H92O2-5=C5H81-3+HO2 +5.040E+38 -8.110 +38500.0 ! *:_:* LLNL *:_:*
+C5H91O2-3=C5H81OOH3-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C5H91O2-3=C5H81OOH3-5 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81OOH4-3 +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H91O2-4=C5H81OOH4-5 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C5H91O2-5=C5H81OOH5-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C5H91O2-5=C5H81OOH5-3 +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C5H92O2-5=C5H82OOH5-4 +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H92O2-4=C5H82OOH4-5 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=>CY3C5H8O+OH +4.850E+11 +0.000 +12700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=>CY3C5H8O+OH +4.850E+11 +0.000 +12700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H81OOH3-4 +1.000E+11 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H81OOH4-3 +1.000E+11 +0.000 +11000.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=C5H81OOH4-5 +2.000E+10 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=C5H81OOH5-4 +2.000E+10 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H82OOH4-5 +1.000E+11 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C5H81-3=C5H81OOH5-4 +1.000E+11 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5=C2H4+C2H3CHO+OH +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3=CH3+C2H2+C2H3OOH +3.000E+13 +0.000 +37500.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5=C3H5-A+C2H3OOH +3.000E+13 +0.000 +25000.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3=C4H6+CH2O+OH +3.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5=C3H5-T+C2H3OOH +3.000E+13 +0.000 +37500.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-4+O2=C5H81OOH3-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5+O2=C5H81OOH3-5O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3+O2=C5H81OOH4-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5+O2=C5H81OOH4-5O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3+O2=C5H81OOH5-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-4+O2=C5H81OOH5-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5+O2=C5H82OOH4-5O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H82OOH5-4+O2=C5H82OOH5-4O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-4O2=>NC5D1KET34+OH +5.000E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5O2=>NC5D1KET35+OH +6.250E+09 +0.000 +14450.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3O2=>NC5D1KET43+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5O2=>NC5D1KET45+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3O2=>NC5D1KET53+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-4O2=>NC5D1KET54+OH +2.000E+11 +0.000 +26150.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5O2=>NC5D2KET45+OH +5.000E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C5H82OOH5-4O2=>NC5D2KET54+OH +2.000E+11 +0.000 +26150.0 ! *:_:* LLNL *:_:*
+NC5D1KET34=>OH+C2H3CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET35=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET43=>OH+C2H3CHO+CH3CO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET45=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET53=>OH+C2H3CHO+CH2CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D1KET54=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D2KET45=>OH+AC3H5CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC5D2KET54=>OH+HCO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-4=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C5H81OOH3-5=>CY3C5H8O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-3=>CY3C5H8O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C5H81OOH4-5=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-3=>CY3C5H8O+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C5H81OOH5-4=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C5H82OOH5-4=>CY3C5H8O+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C5H82OOH4-5=>CY3C5H8O+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+O2+CY3C5H8O=>HO2+C2H3CHO+C2H3 +2.040E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+CY3C5H8O=>H2+C2H3CHO+C2H3 +2.570E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+CY3C5H8O=>H2O+C2H3CHO+C2H3 +4.790E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+CY3C5H8O=>OH+C2H3CHO+C2H3 +1.620E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+CY3C5H8O=>H2O2+C2H3CHO+C2H3 +6.460E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+CY3C5H8O=>CH2O+C2H3CHO+C2H3 +1.520E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+CY3C5H8O=>CH4+C2H3CHO+C2H3 +4.680E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+CY3C5H8O=>C2H6+C2H3CHO+C2H3 +2.760E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+CY3C5H8O=>CH3OH+C2H3CHO+C2H3 +5.140E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+CY3C5H8O=>CH3O2H+C2H3CHO+C2H3 +9.130E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C5H81-3+H=C5H91-1 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C5H81-4+H=C5H91-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C5H81-3+O=>C4H71-3+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C5H81-4+O=>C4H71-4+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C5H81-4+OH=>C3H5-A+CH3CHO +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H11-1+O2=C5H10-1+HO2 +8.370E-01 +3.590 +11960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.307E+00 3.420 2.781E+04 /
+C5H11-2+O2=C5H10-1+HO2 +5.350E-01 +3.710 +9322.0 ! *:_:* LLNL *:_:*
+ REV/ 2.021E+01 3.137 2.274E+04 /
+C5H11-2+O2=C5H10-2+HO2 +1.070E+00 +3.710 +9322.0 ! *:_:* LLNL *:_:*
+ REV/ 1.406E+00 3.738 2.559E+04 /
+C5H11-3+O2=C5H10-2+HO2 +2.140E+00 +3.710 +9322.0 ! *:_:* LLNL *:_:*
+ REV/ 1.355E+00 3.743 2.558E+04 /
+C5H11-1+HO2=C5H11O-1+OH +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.944E+15 -0.479 2.621E+04 /
+C5H11-2+HO2=C5H11O-2+OH +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.143E+17 -1.132 2.822E+04 /
+C5H11-3+HO2=C5H11O-3+OH +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.019E+17 -1.127 2.821E+04 /
+C5H11-1+CH3O2=C5H11O-1+CH3O +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.216E+14 -0.180 3.045E+04 /
+C5H11-2+CH3O2=C5H11O-2+CH3O +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.966E+16 -0.833 3.246E+04 /
+C5H11-3+CH3O2=C5H11O-3+CH3O +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.889E+16 -0.828 3.245E+04 /
+C5H11O2-1+NC5H12=C5H11O2H-1+C5H11-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-2+NC5H12=C5H11O2H-2+C5H11-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-3+NC5H12=C5H11O2H-3+C5H11-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-1+NC5H12=C5H11O2H-1+C5H11-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-2+NC5H12=C5H11O2H-2+C5H11-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-3+NC5H12=C5H11O2H-3+C5H11-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-1+NC5H12=C5H11O2H-1+C5H11-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-2+NC5H12=C5H11O2H-2+C5H11-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11O2-3+NC5H12=C5H11O2H-3+C5H11-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.000 1.500E+04 /
+C5H11-1+C5H11O2-1=2C5H11O-1 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.940E+13 -0.130 2.991E+04 /
+C5H11-1+C5H11O2-2=C5H11O-1+C5H11O-2 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.285E+13 -0.116 2.960E+04 /
+C5H11-1+C5H11O2-3=C5H11O-1+C5H11O-3 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.053E+14 -0.116 2.960E+04 /
+C5H11-2+C5H11O2-1=C5H11O-2+C5H11O-1 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.604E+15 -0.783 3.192E+04 /
+C5H11-2+C5H11O2-2=2C5H11O-2 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.544E+15 -0.769 3.162E+04 /
+C5H11-2+C5H11O2-3=C5H11O-2+C5H11O-3 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.703E+16 -0.769 3.162E+04 /
+C5H11-3+C5H11O2-1=C5H11O-3+C5H11O-1 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.225E+15 -0.778 3.192E+04 /
+C5H11-3+C5H11O2-2=C5H11O-3+C5H11O-2 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.206E+15 -0.764 3.161E+04 /
+C5H11-3+C5H11O2-3=2C5H11O-3 +9.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.636E+16 -0.764 3.161E+04 /
+C5H11O2-1+C5H11O2-2=O2+C5H11O-1+C5H11O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H11O2-1+C5H11O2-3=O2+C5H11O-1+C5H11O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H11O2-1+CH3O2=O2+C5H11O-1+CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2C5H11O2-1=O2+2C5H11O-1 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H2O2+C5H11O2-1=HO2+C5H11O2H-1 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+C5H11O2-1+HO2=C5H11O2H-1+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.746E+13 -0.791 3.362E+04 /
+C5H11O2-2+CH3O2=O2+C5H11O-2+CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H11O2-2+C5H11O2-3=C5H11O-2+C5H11O-3+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2C5H11O2-2=O2+2C5H11O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H2O2+C5H11O2-2=HO2+C5H11O2H-2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+C5H11O2-2+HO2=C5H11O2H-2+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.380E+13 -0.812 3.364E+04 /
+C5H11O2-3+CH3O2=O2+C5H11O-3+CH3O +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+2C5H11O2-3=O2+2C5H11O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+H2O2+C5H11O2-3=HO2+C5H11O2H-3 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.000 1.000E+04 /
+C5H11O2-3+HO2=C5H11O2H-3+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.380E+13 -0.812 3.364E+04 /
+C5H11O2H-1=C5H11O-1+OH +1.500E+16 +0.000 +42500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.927E+07 1.932 -3.022E+03 /
+C5H11O2H-2=C5H11O-2+OH +9.450E+15 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.403E+07 1.968 -4.252E+03 /
+C5H11O2H-3=C5H11O-3+OH +9.450E+15 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 2.797E+07 1.968 -4.252E+03 /
+C5H11O-1=CH2O+PC4H9 +5.661E+20 -2.247 +24960.0 ! *:_:* LLNL *:_:*
+ REV/ 6.250E+10 0.000 1.190E+04 /
+C5H11O-2=CH3CHO+NC3H7 +1.689E+22 -2.601 +19550.0 ! *:_:* LLNL *:_:*
+ REV/ 7.500E+10 0.000 1.190E+04 /
+C5H11O-3=C2H5+C2H5CHO +1.239E+18 -1.199 +18590.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.000 1.190E+04 /
+C5H11O2-1=C5H11-1+O2 +2.338E+20 -1.620 +35830.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H11O2-2=C5H11-2+O2 +7.087E+22 -2.287 +38150.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H11O2-3=C5H11-3+O2 +3.415E+22 -2.282 +38150.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H11O2-1=C5H10OOH1-2 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.083E+10 -0.106 1.385E+04 /
+C5H11O2-1=C5H10OOH1-3 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.604E+09 -0.106 7.850E+03 /
+C5H11O2-1=C5H10OOH1-4 +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.255E+08 -0.106 6.050E+03 /
+C5H11O2-1=C5H10OOH1-5 +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.379E+09 -0.503 1.009E+04 /
+C5H11O2-2=C5H10OOH2-1 +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.790E+11 -0.517 1.396E+04 /
+C5H11O2-2=C5H10OOH2-3 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.698E+10 -0.140 1.390E+04 /
+C5H11O2-2=C5H10OOH2-4 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.372E+09 -0.140 7.900E+03 /
+C5H11O2-2=C5H10OOH2-5 +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.217E+10 -0.517 6.910E+03 /
+C5H11O2-3=C5H10OOH3-1 +7.500E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.948E+11 -0.517 8.960E+03 /
+C5H11O2-3=C5H10OOH3-2 +4.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.396E+10 -0.140 1.390E+04 /
+C5H11O2-1=C5H10-1+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.523E+31 -6.660 2.051E+04 /
+C5H11O2-2=C5H10-1+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.039E+34 -7.696 1.675E+04 /
+C5H11O2-2=C5H10-2+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 7.050E+28 -5.795 1.860E+04 /
+C5H11O2-3=C5H10-2+HO2 +1.009E+39 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.410E+29 -5.795 1.860E+04 /
+C5H10OOH1-2=C5H10O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-3=C5H10O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-4=C5H10O1-4+OH +9.375E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-5=C5H10O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-1=C5H10O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-3=C5H10O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-4=C5H10O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-5=C5H10O1-4+OH +9.375E+09 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH3-2=C5H10O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH3-1=C5H10O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+OH=CH2CO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+OH=C2H4+C2H5CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+OH=CH3COCH2+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+OH=CH2CH2CHO+C2H4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+OH=CH3CHCO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+OH=CH3CO+C3H6+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+OH=C2H3CHO+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+OH=HCO+C4H8-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+OH=CH2CHO+C3H6+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+OH=CH2O+C4H71-3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+OH=C2H3COCH3+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+OH=CH3CHO+C3H5-S+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+HO2=CH2CO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+HO2=C2H4+C2H5CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+HO2=CH3COCH2+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+HO2=CH2CH2CHO+C2H4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+HO2=CH3CHCO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+HO2=CH3CO+C3H6+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-2+HO2=C2H3CHO+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-3+HO2=HCO+C4H8-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-4+HO2=CH2CHO+C3H6+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O1-5+HO2=CH2O+C4H71-3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-3+HO2=C2H3COCH3+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10O2-4+HO2=CH3CHO+C3H5-S+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-2=C5H10-1+HO2 +3.449E+17 -1.556 +17980.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.100E+04 /
+C5H10OOH2-1=C5H10-1+HO2 +6.462E+19 -2.231 +21050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C5H10OOH2-3=C5H10-2+HO2 +9.651E+19 -2.455 +20680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C5H10OOH3-2=C5H10-2+HO2 +9.651E+19 -2.455 +20680.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.000 1.175E+04 /
+C5H10OOH1-3=OH+CH2O+C4H8-1 +8.283E+13 -0.170 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH2-4=OH+CH3CHO+C3H6 +8.312E+17 -1.400 +27170.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH3-1=OH+C2H5CHO+C2H4 +3.096E+18 -1.730 +26820.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+C5H10OOH1-2O2=C5H10OOH1-2+O2 +8.039E+22 -2.295 +37970.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-3O2=C5H10OOH1-3+O2 +8.039E+22 -2.295 +37970.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-4O2=C5H10OOH1-4+O2 +8.039E+22 -2.295 +37970.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-5O2=C5H10OOH1-5+O2 +2.777E+20 -1.623 +35690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH2-1O2=C5H10OOH2-1+O2 +2.572E+20 -1.620 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH2-3O2=C5H10OOH2-3+O2 +7.251E+22 -2.290 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH2-4O2=C5H10OOH2-4+O2 +7.251E+22 -2.290 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH2-5O2=C5H10OOH2-5+O2 +2.572E+20 -1.620 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH3-1O2=C5H10OOH3-1+O2 +2.572E+20 -1.620 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.000 0.000E+00 /
+C5H10OOH3-2O2=C5H10OOH3-2+O2 +7.251E+22 -2.290 +37910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.000 0.000E+00 /
+C5H10OOH1-2O2=NC5KET12+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.780E+04 1.354 4.895E+04 /
+C5H10OOH1-3O2=NC5KET13+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.109E+03 1.533 4.474E+04 /
+C5H10OOH1-4O2=NC5KET14+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.386E+02 1.533 4.269E+04 /
+C5H10OOH1-5O2=NC5KET15+OH +3.907E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 2.011E+01 1.504 4.588E+04 /
+C5H10OOH2-1O2=NC5KET21+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.785E+02 1.883 5.005E+04 /
+C5H10OOH2-3O2=NC5KET23+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.346E+03 1.773 4.912E+04 /
+C5H10OOH2-4O2=NC5KET24+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.624E+01 1.946 4.391E+04 /
+C5H10OOH2-5O2=NC5KET25+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.716E+00 1.893 4.212E+04 /
+C5H10OOH3-1O2=NC5KET31+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 6.548E+01 1.882 4.422E+04 /
+C5H10OOH3-2O2=NC5KET32+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 9.884E+02 1.781 4.939E+04 /
+NC5KET12=NC3H7CHO+HCO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET13=C2H5CHO+CH2CHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET14=CH3CHO+CH2CH2CHO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET15=CH2O+C3H6CHO-1+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET21=CH2O+NC3H7CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET23=C2H5CHO+CH3CO+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET24=CH3CHO+CH3COCH2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET25=CH2O+CH2CH2COCH3+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET31=CH2O+C2H5COCH2+OH +1.500E+16 +0.000 +42000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC5KET32=CH3CHO+C2H5CO+OH +1.050E+16 +0.000 +41600.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.000 0.000E+00 /
+NC6H14=C5H11-1+CH3 +1.608E+22 -1.610 +89350.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.00 -5.960E+02 /
+NC6H14=2NC3H7 +2.169E+24 -2.190 +87840.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.00 -5.960E+02 /
+NC6H14=PC4H9+C2H5 +1.617E+24 -2.210 +88580.0 ! *:_:* LLNL *:_:*
+ REV/ 4.000E+12 0.00 -5.960E+02 /
+NC6H14=C6H13-1+H +1.356E+17 -0.360 +101200.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.00 0.000E+00 /
+NC6H14=C6H13-2+H +2.088E+18 -0.700 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.00 0.000E+00 /
+NC6H14=C6H13-3+H +2.088E+18 -0.700 +98710.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+13 0.00 0.000E+00 /
+NC6H14+H=C6H13-1+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.998E+01 3.38 8.615E+03 /
+NC6H14+H=C6H13-2+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.795E+01 3.38 9.318E+03 /
+NC6H14+H=C6H13-3+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.795E+01 3.38 9.318E+03 /
+NC6H14+O=C6H13-1+OH +2.092E+06 +2.420 +4766.0 ! *:_:* LLNL *:_:*
+ REV/ 1.167E+02 3.04 5.689E+03 /
+NC6H14+O=C6H13-2+OH +1.189E+06 +2.440 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.308E+00 3.40 6.281E+03 /
+NC6H14+O=C6H13-3+OH +1.189E+06 +2.440 +2846.0 ! *:_:* LLNL *:_:*
+ REV/ 4.308E+00 3.40 6.281E+03 /
+NC6H14+OH=C6H13-1+H2O +2.570E+07 +1.800 +954.0 ! *:_:* LLNL *:_:*
+ REV/ 2.906E+04 2.33 1.818E+04 /
+NC6H14+OH=C6H13-2+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.599E+02 2.87 1.914E+04 /
+NC6H14+OH=C6H13-3+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.599E+02 2.87 1.914E+04 /
+NC6H14+CH3=C6H13-1+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.770E-02 3.84 1.103E+04 /
+NC6H14+CH3=C6H13-3+CH4 +1.680E+05 +2.130 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.058E+03 2.67 1.396E+04 /
+NC6H14+CH3=C6H13-2+CH4 +1.680E+05 +2.130 +7574.0 ! *:_:* LLNL *:_:*
+ REV/ 1.058E+03 2.67 1.396E+04 /
+NC6H14+HO2=C6H13-1+H2O2 +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 4.983E+03 2.44 3.025E+03 /
+NC6H14+HO2=C6H13-2+H2O2 +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.699E+02 2.78 3.709E+03 /
+NC6H14+HO2=C6H13-3+H2O2 +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 4.699E+02 2.78 3.709E+03 /
+NC6H14+CH3O=C6H13-1+CH3OH +3.160E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.00 9.200E+03 /
+NC6H14+CH3O=C6H13-2+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.00 7.200E+03 /
+NC6H14+CH3O=C6H13-3+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.910E+09 0.00 7.200E+03 /
+NC6H14+O2=C6H13-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.342E+10 0.29 4.510E+02 /
+NC6H14+O2=C6H13-2+HO2 +2.800E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.014E+09 0.63 3.130E+02 /
+NC6H14+O2=C6H13-3+HO2 +2.800E+13 +0.000 +50160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.014E+09 0.63 3.130E+02 /
+NC6H14+C2H5=C6H13-1+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.240E+11 0.00 1.230E+04 /
+NC6H14+C2H5=C6H13-2+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC6H14+C2H5=C6H13-3+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC6H14+C2H3=C6H13-1+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.00 2.540E+04 /
+NC6H14+C2H3=C6H13-2+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC6H14+C2H3=C6H13-3+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC6H14+CH3O2=C6H13-1+CH3O2H +8.100E+04 +2.500 +16690.0 ! *:_:* LLNL *:_:*
+ REV/ 9.695E+04 2.00 1.430E+03 /
+NC6H14+CH3O2=C6H13-2+CH3O2H +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.141E+03 2.34 2.114E+03 /
+NC6H14+CH3O2=C6H13-3+CH3O2H +1.176E+05 +2.500 +14860.0 ! *:_:* LLNL *:_:*
+ REV/ 9.141E+03 2.34 2.114E+03 /
+NC6H14+O2CHO=C6H13-1+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 5.692E+02 2.30 3.060E+03 /
+NC6H14+O2CHO=C6H13-2+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.464E+01 2.64 2.823E+03 /
+NC6H14+O2CHO=C6H13-3+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.464E+01 2.64 2.823E+03 /
+C6H13O2-1+NC6H14=C6H13O2H-1+C6H13-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-2+NC6H14=C6H13O2H-2+C6H13-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-3+NC6H14=C6H13O2H-3+C6H13-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-1+NC6H14=C6H13O2H-1+C6H13-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-2+NC6H14=C6H13O2H-2+C6H13-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-3+NC6H14=C6H13O2H-3+C6H13-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-1+NC6H14=C6H13O2H-1+C6H13-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-2+NC6H14=C6H13O2H-2+C6H13-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+C6H13O2-3+NC6H14=C6H13O2H-3+C6H13-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC6H14+C6H13-1=NC6H14+C6H13-2 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC6H14+C6H13-1=NC6H14+C6H13-3 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC6H14+C6H13-2=NC6H14+C6H13-3 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+C6H13-1+HO2=C6H13O-1+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.266E+15 -0.56 2.615E+04 /
+C6H13-2+HO2=C6H13O-2+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.073E+17 -1.15 2.807E+04 /
+C6H13-3+HO2=C6H13O-3+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.073E+17 -1.15 2.807E+04 /
+C6H13-1+CH3O2=C6H13O-1+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.043E+14 -0.26 3.039E+04 /
+C6H13-2+CH3O2=C6H13O-2+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.922E+16 -0.85 3.231E+04 /
+C6H13-3+CH3O2=C6H13O-3+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.922E+16 -0.85 3.231E+04 /
+C6H13-1+O2=C6H12-1+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-2+O2=C6H12-1+HO2 +4.500E-19 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-2+O2=C6H12-2+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-3+O2=C6H12-2+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-3+O2=C6H12-3+HO2 +3.000E-19 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E-19 0.00 1.750E+04 /
+C6H13-1=C2H4+PC4H9 +6.391E+19 -1.970 +30640.0 ! *:_:* LLNL *:_:*
+ REV/ 3.300E+11 0.00 7.200E+03 /
+C6H13-1=C6H12-1+H +9.621E+13 -0.260 +36000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-2=C3H6+NC3H7 +1.827E+19 -1.800 +30170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 7.200E+03 /
+C6H13-2=C6H12-1+H +6.248E+12 +0.090 +36820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 1.200E+03 /
+C6H13-2=C6H12-2+H +1.271E+13 -0.090 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-3=C4H8-1+C2H5 +1.202E+19 -1.760 +30450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 7.200E+03 /
+C6H13-3=C5H10-1+CH3 +1.671E+16 -0.930 +31480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 7.200E+03 /
+C6H13-3=C6H12-2+H +1.271E+13 -0.090 +35650.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-3=C6H12-3+H +4.659E+12 -0.020 +35740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C6H13-1=C6H13-2 +5.478E+08 +1.620 +38760.0 ! *:_:* LLNL *:_:*
+ REV/ 3.558E+07 1.97 4.127E+04 /
+C6H13-1=C6H13-3 +1.495E+09 +0.970 +33760.0 ! *:_:* LLNL *:_:*
+ REV/ 9.709E+07 1.31 3.627E+04 /
+O2+C6H12-1=>CH2O+NC4H9CHO +1.000E+14 +0.000 +37000.0 ! *:_:* LLNL *:_:*
+C6H12-1=2C3H6 +4.000E+12 +0.000 +58000.0 ! *:_:* LLNL *:_:*
+C6H12-1=NC3H7+C3H5-A +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+C6H12-2=C2H5+C4H71-3 +1.000E+16 +0.000 +71000.0 ! *:_:* LLNL *:_:*
+C6H12-3=CH3+C5H91-3 +3.000E+16 +0.000 +72000.0 ! *:_:* LLNL *:_:*
+C6H111-3+H=C6H12-1 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H91-5+CH3=C6H12-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+PC4H9+C2H3=C6H12-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H71-4+C2H5=C6H12-1 +8.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+H=C6H12-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+H=C6H12-2 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C5H92-5+CH3=C6H12-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+NC3H7+C3H5-T=C6H12-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+H=C6H12-3 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H71-1+C2H5=C6H12-3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=>PC4H9+CH3CHO +1.000E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=>CH3+NC4H9CHO +5.000E+10 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=>C2H5CHO+NC3H7 +5.000E+10 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=>PC4H9+CH3CHO +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+C5H10-1+OH=NC3H7+CH3CHO +1.000E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C5H10-2+OH=CH3+NC3H7CHO +1.000E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C5H11-1+HCO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=PC4H9+CH3CO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-3+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C6H12-1+H=C6H111-6+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-3+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H111-6+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-3+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-4+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3=C6H111-6+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-3+H2O2 +9.640E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-4+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-5+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+C6H12-1+HO2=C6H111-6+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-3+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-4+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-5+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O2=C6H111-6+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-4+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C6H12-1+CH3O=C6H111-6+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H111-3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H112-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H112-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+C6H12-2+H=C6H112-6+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H111-3+H2O +3.120E+06 +2.000 -1298.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H112-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H112-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H112-6+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H111-3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H112-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H112-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3=C6H112-6+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H111-3+H2O2 +2.700E+04 +2.500 +12340.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H112-4+H2O2 +9.640E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H112-5+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+C6H12-2+HO2=C6H112-6+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H111-3+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H112-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H112-5+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O2=C6H112-6+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H111-3+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H112-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H112-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+C6H12-2+CH3O=C6H112-6+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C6H12-3+H=C6H113-1+H2 +1.330E+06 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+C6H12-3+H=C6H112-4+H2 +6.752E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=C6H113-1+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=C6H112-4+H2O +5.528E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3=C6H113-1+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3=C6H112-4+CH4 +7.380E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+C6H12-3+HO2=C6H113-1+H2O2 +9.520E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+C6H12-3+HO2=C6H112-4+H2O2 +1.928E+04 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O2=C6H113-1+CH3O2H +2.772E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O2=C6H112-4+CH3O2H +9.640E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O=C6H113-1+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+C6H12-3+CH3O=C6H112-4+CH3OH +8.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+C6H111-3+HO2=C6H11O1-3+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+CH3O2=C6H11O1-3+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+C2H5O2=C6H11O1-3+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-6=C6H111-3 +1.113E+12 +0.000 +31700.0 ! *:_:* LLNL *:_:*
+C6H112-4+HO2=C6H11O2-4+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+CH3O2=C6H11O2-4+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+C2H5O2=C6H11O2-4+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-3+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-4+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-5+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+C6H12-1+O2=C6H111-6+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-3+OH +6.600E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-4+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-5+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C6H12-1+O=C6H111-6+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H111-3+HO2 +5.500E+12 +0.000 +39900.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H112-4+HO2 +2.200E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H112-5+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+C6H12-2+O2=C6H112-6+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H111-3+OH +4.410E+05 +2.420 +3150.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H112-4+OH +6.600E+05 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H112-5+OH +5.510E+05 +2.450 +2830.0 ! *:_:* LLNL *:_:*
+C6H12-2+O=C6H112-6+OH +9.800E+05 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C6H12-3+O2=C6H112-4+HO2 +4.400E+12 +0.000 +37220.0 ! *:_:* LLNL *:_:*
+C6H12-3+O2=C6H113-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+C6H12-3+O=C6H112-4+OH +1.320E+06 +2.430 +1210.0 ! *:_:* LLNL *:_:*
+C6H12-3+O=C6H113-1+OH +1.960E+06 +2.430 +4750.0 ! *:_:* LLNL *:_:*
+C2H5+C4H6=C6H111-3 +8.500E+10 +0.000 +8300.0 ! *:_:* LLNL *:_:*
+CH3+C5H81-4=C6H111-4 +1.000E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+C3H5-A+C3H6=C6H111-5 +4.000E+11 +0.000 +16900.0 ! *:_:* LLNL *:_:*
+C4H71-4+C2H4=C6H111-6 +8.500E+10 +0.000 +8300.0 ! *:_:* LLNL *:_:*
+CH3+C5H81-3=C6H112-4 +1.000E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+C3H5-T+C3H6=C6H112-5 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C4H71-3+C2H4=C6H112-6 +4.000E+11 +0.000 +16900.0 ! *:_:* LLNL *:_:*
+C4H71-1+C2H4=C6H113-1 +6.300E+11 +0.000 +3100.0 ! *:_:* LLNL *:_:*
+C6H111-6=C6H111-4 +3.800E+10 +0.670 +36000.0 ! *:_:* LLNL *:_:*
+C6H111-6=C6H111-5 +3.560E+10 +0.880 +37300.0 ! *:_:* LLNL *:_:*
+C6H112-6=C6H112-4 +3.800E+10 +0.670 +28400.0 ! *:_:* LLNL *:_:*
+C6H112-6=C6H112-5 +3.560E+10 +0.880 +37300.0 ! *:_:* LLNL *:_:*
+C6H113-1=C6H112-4 +3.560E+10 +0.880 +29600.0 ! *:_:* LLNL *:_:*
+C6H111-3+O2=C6H112O2-1 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-3+O2=C6H111O2-3 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-4+O2=C6H111O2-4 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-5+O2=C6H111O2-5 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-6+O2=C6H111O2-6 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+O2=C6H113O2-2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+O2=C6H112O2-4 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-5+O2=C6H112O2-5 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-6+O2=C6H112O2-6 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H113-1+O2=C6H113O2-1 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=>C6H101-3+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=>C6H101-3+HO2 +5.040E+38 -8.110 +38500.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=>C6H101-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=>C6H101-5+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=>C6H101-5+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C6H112O2-4=>C6H102-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H112O2-5=>C6H102-4+HO2 +5.040E+38 -8.110 +37500.0 ! *:_:* LLNL *:_:*
+C6H112O2-6=>C6H101-4+HO2 +1.004E+39 -8.110 +40500.0 ! *:_:* LLNL *:_:*
+C6H113O2-2=>C6H101-3+HO2 +1.008E+43 -9.410 +41500.0 ! *:_:* LLNL *:_:*
+C6H113O2-1=>C6H101-3+HO2 +5.040E+38 -8.110 +37500.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=C6H101OOH3-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=C6H101OOH3-5 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=C6H101OOH3-6 +9.376E+09 +0.000 +21950.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=C6H101OOH4-3 +2.000E+11 +0.000 +24450.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=C6H101OOH4-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H111O2-4=C6H101OOH4-6 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=C6H101OOH5-3 +2.500E+10 +0.000 +18450.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=C6H101OOH5-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H111O2-5=C6H101OOH5-6 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=C6H101OOH6-3 +3.125E+09 +0.000 +16650.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=C6H101OOH6-4 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C6H111O2-6=C6H101OOH6-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H112O2-4=C6H102OOH4-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H112O2-4=C6H102OOH4-6 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C6H112O2-5=C6H102OOH5-4 +2.000E+11 +0.000 +24450.0 ! *:_:* LLNL *:_:*
+C6H112O2-5=C6H102OOH5-6 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C6H112O2-6=C6H102OOH6-4 +2.500E+10 +0.000 +18450.0 ! *:_:* LLNL *:_:*
+C6H112O2-6=C6H102OOH6-5 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C6H113O2-1=C6H103OOH1-2 +2.000E+11 +0.000 +24450.0 ! *:_:* LLNL *:_:*
+C6H113O2-2=C6H103OOH2-1 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5=>MVOX+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4=>VTHF+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3=>EDHF+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3=>MVOX+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3=>VTHF+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-4=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4=>ETES1+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H103OOH1-2=>ETES1+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H101OOH3-4 +4.850E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H101OOH4-3 +4.850E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H101OOH4-5 +3.400E+11 +0.000 +11800.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H101OOH5-4 +3.400E+11 +0.000 +11800.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-5=C6H101OOH5-6 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-5=C6H101OOH6-5 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H102-4=C6H102OOH4-5 +3.800E+11 +0.000 +8800.0 ! *:_:* LLNL *:_:*
+HO2+C6H102-4=C6H102OOH5-4 +3.800E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H102OOH5-6 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-4=C6H102OOH6-5 +1.000E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H103OOH2-1 +4.850E+11 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+HO2+C6H101-3=C6H103OOH1-2 +4.850E+11 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+C6H12OOH1-2=C6H12-1+HO2 +1.018E+19 -2.020 +19720.0 ! *:_:* LLNL *:_:*
+C6H12OOH2-1=C6H12-1+HO2 +3.701E+21 -2.690 +22030.0 ! *:_:* LLNL *:_:*
+C6H12OOH2-3=C6H12-2+HO2 +3.663E+20 -2.480 +21640.0 ! *:_:* LLNL *:_:*
+C6H12OOH3-2=C6H12-2+HO2 +3.663E+20 -2.480 +21640.0 ! *:_:* LLNL *:_:*
+C6H12OOH3-4=C6H12-3+HO2 +2.682E+20 -2.410 +21730.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4=>CH3+AC3H5OOH+C2H2 +3.000E+13 +0.000 +33500.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5=>OH+C3H6+C2H3CHO +3.000E+13 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6=>HO2+C4H6+C2H4 +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3=>C2H5+CH3O2H+C3H2 +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5=>C3H5-A+AC3H5OOH +3.000E+13 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6=>OH+C2H3COCH3+C2H4 +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3=>OH+C4H6+CH3CHO +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4=>CH3+CH3O2H+2C2H2 +3.000E+13 +0.000 +33500.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6=>C4H71-4+C2H3OOH +3.000E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3=>HO2+C4H6+C2H4 +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4=>OH+C5H81-4+CH2O +3.000E+13 +0.000 +29500.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5=>C3H5-A+AC3H5OOH +3.000E+13 +0.000 +23000.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6=>OH+C2H3COCH3+C2H4 +3.000E+13 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6=>C4H71-3+CH2CHO+OH +3.000E+13 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4=>OH+C5H81-3+CH2O +1.000E+13 +0.000 +35000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5=>C3H5-T+AC3H5OOH +3.000E+13 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1=>C4H71-4+CH2CHO+OH +3.000E+13 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4+O2=C6H101OOH3-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5+O2=C6H101OOH3-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6+O2=C6H101OOH3-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3+O2=C6H101OOH4-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5+O2=C6H101OOH4-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6+O2=C6H101OOH4-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3+O2=C6H101OOH5-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4+O2=C6H101OOH5-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6+O2=C6H101OOH5-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3+O2=C6H101OOH6-3O2 +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4+O2=C6H101OOH6-4O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5+O2=C6H101OOH6-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-5+O2=C6H102OOH4-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6+O2=C6H102OOH4-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-4+O2=C6H102OOH5-4O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6+O2=C6H102OOH5-6O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4+O2=C6H102OOH6-4O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5+O2=C6H102OOH6-5O2 +7.540E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1+O2=C6H103OOH2-1O2 +4.520E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H103OOH1-2+O2=C6H103OOH1-2O2 +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-4O2=>NC6D1KET34+OH +1.000E+11 +0.000 +21450.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-5O2=>NC6D1KET35+OH +1.250E+10 +0.000 +15450.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6O2=>NC6D1KET36+OH +1.563E+09 +0.000 +13650.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-3O2=>NC6D1KET43+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-5O2=>NC6D1KET45+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH4-6O2=>NC6D1KET46+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-3O2=>NC6D1KET53+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-4O2=>NC6D1KET54+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH5-6O2=>NC6D1KET56+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-3O2=>NC6D1KET63+OH +3.120E+09 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-4O2=>NC6D1KET64+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C6H101OOH6-5O2=>NC6D1KET65+OH +2.000E+11 +0.000 +26150.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-5O2=>NC6D2KET45+OH +1.000E+11 +0.000 +21450.0 ! *:_:* LLNL *:_:*
+C6H102OOH4-6O2=>NC6D2KET46+OH +1.250E+10 +0.000 +15450.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-4O2=>NC6D2KET54+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H102OOH5-6O2=>NC6D2KET56+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-4O2=>NC6D2KET64+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C6H102OOH6-5O2=>NC6D2KET65+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+C6H103OOH2-1O2=>NC6D3KET21+OH +1.000E+11 +0.000 +21450.0 ! *:_:* LLNL *:_:*
+C6H103OOH1-2O2=>NC6D3KET12+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+NC6D1KET34=>OH+C2H3+CO+C2H5CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET35=>OH+CH2CHO+C2H3COCH3 +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET35=>OH+CH3+CO+C2H3COCH3 +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET36=>OH+C2H3+CO+CH2O+C2H4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET43=>OH+C3H5O+C2H3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET45=>OH+C2H3+CH3CHO+CH2CO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET46=>OH+C3H5-A+CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET53=>OH+C2H5CO+C2H3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET54=>OH+C3H5-A+CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET56=>OH+C3H5-A+CH2CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET63=>OH+C2H3CHO+HCO+C2H4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET64=>OH+C3H5-A+CH3CHO+CO +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET64=>OH+CH2CHO+AC3H5CHO +5.000E+15 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D1KET65=>OH+HCO+CH2CO+C3H6 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET45=>OH+C3H5-T+CO+CH3CHO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET46=>OH+C3H5-T+CH2CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET54=>OH+CH2CHO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET56=>OH+C3H5-T+CH2O+CH2CO +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET64=>OH+CH2CHO+C2H3COCH3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D2KET65=>OH+C4H71-3+CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D3KET21=>OH+C4H71-4+CO+CH2O +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+NC6D3KET12=>OH+HCO+C4H7CHO1-4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H12OH-1=>CH3CHO+PC4H9 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-1=>C2H5CHO+NC3H7 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-2=>NC3H7CHO+C2H5 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-2=>NC4H9CHO+CH3 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12OH-3=>NC3H7CHO+C2H5 +1.500E+13 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C6H12-3+O=NC3H7+C2H5CO +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H111-4+HO2=C6H111O2H-4 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-5+HO2=C6H111O2H-5 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H111-6+HO2=C6H111O2H-6 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-5+HO2=C6H112O2H-5 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-6+HO2=C6H112O2H-6 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+HO2=C6H113O2H-2 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112-4+HO2=C6H112O2H-4 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H113-1+HO2=C6H113O2H-1 +9.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H112O2-1=>C2H3COC3H7+OH +4.000E+12 +0.000 +38000.0 ! *:_:* LLNL *:_:*
+C6H111O2-3=>C2H3COC3H7+OH +4.000E+12 +0.000 +38000.0 ! *:_:* LLNL *:_:*
+C6H101OOH3-6=>C2H3COC3H7+OH +1.000E+11 +0.000 +16700.0 ! *:_:* LLNL *:_:*
+C6H111O2H-4=>OH+C2H5CHO+C3H5-A +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H111O2H-5=>OH+CH3CHO+C4H71-4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H111O2H-6=>OH+CH2O+C5H91-5 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H112O2H-4=>OH+C2H3COCH3+C2H5 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H112O2H-5=>OH+CH3CHO+C4H71-3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H112O2H-6=>OH+CH2O+C5H91-5 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H113O2H-2=>OH+CH3CHO+C4H71-4 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+C6H113O2H-1=>OH+CH2O+C5H91-3 +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+O2+ETES1=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+ETES1=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+ETES1=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+ETES1=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+ETES1=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+ETES1=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+ETES1=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+ETES1=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+ETES1=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+ETES1=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+O2+MVOX=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+MVOX=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+MVOX=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+MVOX=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+MVOX=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+MVOX=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+MVOX=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+MVOX=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O2+MVOX=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C2H3+MVOX=>C2H4+C2H3COCH3+C2H3 +8.139E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+CH3O+MVOX=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+O2+VTHF=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+VTHF=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+VTHF=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+VTHF=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+VTHF=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+VTHF=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+VTHF=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+VTHF=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+VTHF=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+VTHF=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C2H3+VTHF=>C2H4+C2H3COCH3+C2H3 +8.139E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+O2+EDHF=>HO2+C2H3COCH3+C2H3 +2.045E+07 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+EDHF=>H2+C2H3COCH3+C2H3 +2.574E+07 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+EDHF=>H2O+C2H3COCH3+C2H3 +4.793E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+EDHF=>OH+C2H3COCH3+C2H3 +1.624E+07 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+EDHF=>H2O2+C2H3COCH3+C2H3 +6.465E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+EDHF=>CH2O+C2H3COCH3+C2H3 +1.516E+06 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+EDHF=>CH4+C2H3COCH3+C2H3 +4.684E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+EDHF=>C2H6+C2H3COCH3+C2H3 +2.758E+05 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+C2H3+EDHF=>C2H4+C2H3COCH3+C2H3 +8.139E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+CH3O2+EDHF=>CH3O2H+C2H3COCH3+C2H3 +9.133E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3O+EDHF=>CH3OH+C2H3COCH3+C2H3 +5.136E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+O2+C5H81-4=>HO2+C3H5-A+C2H2 +5.111E+06 +2.000 +40722.5 ! *:_:* LLNL *:_:*
+H+C5H81-4=>H2+C3H5-A+C2H2 +6.435E+06 +2.000 +3950.6 ! *:_:* LLNL *:_:*
+OH+C5H81-4=>H2O+C3H5-A+C2H2 +1.198E+06 +2.000 -2259.8 ! *:_:* LLNL *:_:*
+O+C5H81-4=>OH+C3H5-A+C2H2 +4.060E+06 +2.000 +2579.5 ! *:_:* LLNL *:_:*
+HO2+C5H81-4=>H2O2+C3H5-A+C2H2 +1.616E+05 +2.000 +11887.7 ! *:_:* LLNL *:_:*
+HCO+C5H81-4=>CH2O+C3H5-A+C2H2 +3.789E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+CH3+C5H81-4=>CH4+C3H5-A+C2H2 +1.171E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C2H5+C5H81-4=>C2H6+C3H5-A+C2H2 +6.895E+04 +2.000 +7658.1 ! *:_:* LLNL *:_:*
+CH3O+C5H81-4=>CH3OH+C3H5-A+C2H2 +1.284E+05 +2.000 +1583.6 ! *:_:* LLNL *:_:*
+CH3O2+C5H81-4=>CH3O2H+C3H5-A+C2H2 +2.283E+05 +2.000 +12360.4 ! *:_:* LLNL *:_:*
+C2H3+C5H81-4=>C2H4+C3H5-A+C2H2 +2.035E+05 +2.000 +4871.3 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H111-3 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H111-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H113-1 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=C6H112-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H111-4 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H111-5 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H112-5 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=C6H112-6 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-5+H=C6H111-5 +4.250E+11 +0.500 +1230.0 ! *:_:* LLNL *:_:*
+C6H101-5+H=C6H111-6 +2.500E+11 +0.500 +2620.0 ! *:_:* LLNL *:_:*
+C6H101-3+O=>C5H91-3+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H101-4+O=>C5H92-5+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H101-5+O=>C5H91-5+HCO +2.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+C6H101-3+OH=>C5H91-3+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101-4+OH=>C5H92-5+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101-5+OH=>C5H91-5+CH2O +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H101-3+OH=>C2H3+C4H6+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H101-4+OH=>C2H3+C4H6+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H101-5+OH=>C2H3+C4H6+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+C6H101-3+HO2=>C2H3+C4H6+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H101-4+HO2=>C2H3+C4H6+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H101-5+HO2=>C2H3+C4H6+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H101-3+H=>C2H3+C4H6+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H101-4+H=>C2H3+C4H6+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H101-5+H=>C2H3+C4H6+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+C6H12-1+OH=C6H12OH-1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12OH-1+O2=O2C6H12OH-1 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H12OH-1=NC4H9CHO+CH2O+OH +1.000E+12 +0.000 +27800.0 ! *:_:* LLNL *:_:*
+C6H12-2+OH=C6H12OH-2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12OH-2+O2=O2C6H12OH-2 +7.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H12OH-2=NC3H7CHO+CH3CHO+OH +1.000E+12 +0.000 +27800.0 ! *:_:* LLNL *:_:*
+C6H12-3+OH=C6H12OH-3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H12OH-3+O2=O2C6H12OH-3 +7.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H12OH-3=OH+2C2H5CHO +2.000E+12 +0.000 +26800.0 ! *:_:* LLNL *:_:*
+C6H111-3+C6H12-2=C6H12-2+C6H112-4 +7.900E+10 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+C6H11O1-3=C2H3CHO+NC3H7 +1.427E+20 -2.040 +11230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-3=NC3H7CHO+C2H3 +2.400E+18 -1.630 +23410.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O2-4=SC3H5CHO+C2H5 +5.449E+19 -1.920 +10760.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O2-4=C2H5CHO+C3H5-S +2.346E+22 -2.580 +29310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H13O2-1=C6H13-1+O2 +5.150E+20 -1.710 +35790.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H13O2-2=C6H13-2+O2 +2.180E+23 -2.330 +38040.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H13O2-3=C6H13-3+O2 +2.180E+23 -2.330 +38040.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H13-1+C6H13O2-1=2C6H13O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.781E+13 -0.21 2.984E+04 /
+C6H13-1+C6H13O2-2=C6H13O-1+C6H13O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.628E+13 -0.17 2.950E+04 /
+C6H13-1+C6H13O2-3=C6H13O-1+C6H13O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.628E+13 -0.17 2.950E+04 /
+C6H13-2+C6H13O2-1=C6H13O-2+C6H13O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.205E+15 -0.79 3.176E+04 /
+C6H13-2+C6H13O2-2=2C6H13O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13-2+C6H13O2-3=C6H13O-2+C6H13O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13-3+C6H13O2-1=C6H13O-3+C6H13O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.205E+15 -0.79 3.176E+04 /
+C6H13-3+C6H13O2-2=C6H13O-3+C6H13O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13-3+C6H13O2-3=2C6H13O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.414E+15 -0.76 3.142E+04 /
+C6H13O2-1=C6H12-1+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.638E+29 -6.22 2.047E+04 /
+C6H13O2-2=C6H12-1+HO2 +5.075E+42 -9.410 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.885E+32 -7.24 1.670E+04 /
+C6H13O2-2=C6H12-2+HO2 +5.044E+38 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.876E+28 -5.77 1.857E+04 /
+C6H13O2-3=C6H12-3+HO2 +1.009E+39 -8.110 +40490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.569E+29 -5.83 1.848E+04 /
+C6H13O2-1=C6H12OOH1-2 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.402E+10 -0.12 1.386E+04 /
+C6H13O2-1=C6H12OOH1-3 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.003E+09 -0.12 7.860E+03 /
+C6H13O2-1=C6H12OOH1-4 +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 3.754E+08 -0.12 6.060E+03 /
+C6H13O2-1=C6H12OOH1-5 +3.906E+08 +0.000 +22050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.692E+07 -0.12 9.060E+03 /
+C6H13O2-2=C6H12OOH2-1 +3.000E+11 +0.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 7.948E+11 -0.52 1.395E+04 /
+C6H13O2-2=C6H12OOH2-3 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.578E+10 -0.13 1.388E+04 /
+C6H13O2-2=C6H12OOH2-4 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.223E+09 -0.13 7.880E+03 /
+C6H13O2-2=C6H12OOH2-5 +3.125E+09 +0.000 +19050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.028E+08 -0.13 6.080E+03 /
+C6H13O2-2=C6H12OOH2-6 +5.860E+08 +0.000 +25550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.553E+09 -0.52 1.010E+04 /
+C6H13O2-3=C6H12OOH3-1 +3.750E+10 +0.000 +24400.0 ! *:_:* LLNL *:_:*
+ REV/ 9.935E+10 -0.52 8.950E+03 /
+C6H13O2-3=C6H12OOH3-2 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.578E+10 -0.13 1.388E+04 /
+C6H13O2-3=C6H12OOH3-4 +2.000E+11 +0.000 +26850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.578E+10 -0.13 1.388E+04 /
+C6H13O2-3=C6H12OOH3-5 +2.500E+10 +0.000 +20850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.223E+09 -0.13 7.880E+03 /
+C6H13O2-3=C6H12OOH3-6 +4.688E+09 +0.000 +22350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.242E+10 -0.52 6.900E+03 /
+C6H13O2-1+HO2=C6H13O2H-1+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.538E+13 -0.78 3.360E+04 /
+C6H13O2-2+HO2=C6H13O2H-2+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.447E+13 -0.81 3.364E+04 /
+C6H13O2-3+HO2=C6H13O2H-3+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.447E+13 -0.81 3.364E+04 /
+C6H13O2-1+H2O2=C6H13O2H-1+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C6H13O2-2+H2O2=C6H13O2H-2+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C6H13O2-3+H2O2=C6H13O2H-3+HO2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C6H13O2-1+CH3O2=C6H13O-1+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-2+CH3O2=C6H13O-2+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-3+CH3O2=C6H13O-3+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C6H13O2-1=O2+2C6H13O-1 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-1+C6H13O2-2=O2+C6H13O-1+C6H13O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-1+C6H13O2-3=O2+C6H13O-1+C6H13O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C6H13O2-2=O2+2C6H13O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2-2+C6H13O2-3=O2+C6H13O-2+C6H13O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C6H13O2-3=O2+2C6H13O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H13O2H-1=C6H13O-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.025E+07 1.93 -6.512E+03 /
+C6H13O2H-2=C6H13O-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.977E+06 2.00 -6.892E+03 /
+C6H13O2H-3=C6H13O-3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.977E+06 2.00 -6.892E+03 /
+C6H13O-1=C5H11-1+CH2O +5.226E+20 -2.080 +24830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C6H13O-2=PC4H9+CH3CHO +2.365E+22 -2.610 +19620.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C6H13O-3=C2H5CHO+NC3H7 +8.045E+17 -1.170 +18170.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C6H12OOH1-2=C6H12O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-3=C6H12O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-4=C6H12O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-5=C6H12O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-1=C6H12O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-3=C6H12O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-4=C6H12O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-5=C6H12O2-5+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-6=C6H12O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-2=C6H12O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-4=C6H12O3-4+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-1=C6H12O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-5=C6H12O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-6=C6H12O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-3=OH+CH2O+C5H10-1 +7.703E+13 -0.160 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH2-4=OH+CH3CHO+C4H8-1 +2.933E+18 -1.700 +24080.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-5=OH+C2H5CHO+C3H6 +1.171E+17 -1.310 +28880.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH3-1=OH+CH3CHO+2C2H4 +7.326E+18 -1.740 +27420.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12OOH1-2O2=C6H12OOH1-2+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH1-3O2=C6H12OOH1-3+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH1-4O2=C6H12OOH1-4+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH1-5O2=C6H12OOH1-5+O2 +8.868E+22 -2.310 +37980.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-1O2=C6H12OOH2-1+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH2-3O2=C6H12OOH2-3+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-4O2=C6H12OOH2-4+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-5O2=C6H12OOH2-5+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH2-6O2=C6H12OOH2-6+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH3-1O2=C6H12OOH3-1+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH3-2O2=C6H12OOH3-2+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH3-4O2=C6H12OOH3-4+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH3-5O2=C6H12OOH3-5+O2 +4.792E+22 -2.330 +37960.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C6H12OOH3-6O2=C6H12OOH3-6+O2 +1.463E+20 -1.640 +35670.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C6H12OOH1-2O2=NC6KET12+OH +2.000E+11 +0.000 +26400.0 ! *:_:* LLNL *:_:*
+ REV/ 2.607E-12 6.14 3.970E+04 /
+C6H12OOH1-3O2=NC6KET13+OH +2.500E+10 +0.000 +21400.0 ! *:_:* LLNL *:_:*
+ REV/ 8.825E+02 1.56 4.471E+04 /
+C6H12OOH1-4O2=NC6KET14+OH +3.125E+09 +0.000 +19350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.103E+02 1.56 4.266E+04 /
+C6H12OOH1-5O2=NC6KET15+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.379E+01 1.56 4.586E+04 /
+C6H12OOH2-1O2=NC6KET21+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 2.253E+02 1.91 5.003E+04 /
+C6H12OOH2-3O2=NC6KET23+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.156E+03 1.79 4.909E+04 /
+C6H12OOH2-4O2=NC6KET24+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 4.618E+01 1.97 4.388E+04 /
+C6H12OOH2-5O2=NC6KET25+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 5.774E+00 1.97 4.208E+04 /
+C6H12OOH2-6O2=NC6KET26+OH +3.906E+08 +0.000 +22550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.939E+00 1.92 4.859E+04 /
+C6H12OOH3-1O2=NC6KET31+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 5.308E+01 1.91 4.419E+04 /
+C6H12OOH3-2O2=NC6KET32+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 7.384E+02 1.82 4.935E+04 /
+C6H12OOH3-4O2=NC6KET34+OH +1.000E+11 +0.000 +23850.0 ! *:_:* LLNL *:_:*
+ REV/ 7.384E+02 1.82 4.935E+04 /
+C6H12OOH3-5O2=NC6KET35+OH +1.250E+10 +0.000 +17850.0 ! *:_:* LLNL *:_:*
+ REV/ 3.503E+01 1.98 4.416E+04 /
+C6H12OOH3-6O2=NC6KET36+OH +1.563E+09 +0.000 +16050.0 ! *:_:* LLNL *:_:*
+ REV/ 6.638E+00 1.91 4.239E+04 /
+NC6KET12=NC4H9CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET13=NC3H7CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET14=C2H5CHO+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET15=CH3CHO+C3H6CHO-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET21=CH2O+NC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET23=NC3H7CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET24=C2H5CHO+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET25=CH3CHO+CH2CH2COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET26=CH2O+C3H6COCH3-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET31=CH2O+NC3H7COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET32=CH3CHO+NC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET34=C2H5CHO+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET35=CH3CHO+C2H5COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC6KET36=CH2O+C2H5COC2H4P+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+OH=C2H3CHO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+OH=C5H10-1+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+OH=C4H8-1+CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+OH=C3H6+CH2CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+OH=C2H3COCH3+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+OH=C4H8-1+CH3CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+OH=C3H6+CH3COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+OH=C2H5COC2H3+CH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+OH=CH2CO+PC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+OH=C2H4+NC3H7CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+OH=C2H4+C2H5COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+OH=C2H4+CH2CH2COCH3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+OH=CH3CHCO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+OH=C3H6+C2H5CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+OH=CH3CHO+C4H71-3+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+OH=C2H5CHO+C3H5-S+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+HO2=C2H3CHO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+HO2=C5H10-1+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+HO2=C4H8-1+CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+HO2=C3H6+CH2CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+HO2=C2H3COCH3+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+HO2=C4H8-1+CH3CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+HO2=C3H6+CH3COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+HO2=C2H5COC2H3+CH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-2+HO2=CH2CO+PC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-3+HO2=C2H4+NC3H7CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-4+HO2=C2H4+C2H5COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O1-5+HO2=C2H4+CH2CH2COCH3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-3+HO2=CH3CHCO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-4+HO2=C3H6+C2H5CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O2-5+HO2=CH3CHO+C4H71-3+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C6H12O3-4+HO2=C2H5CHO+C3H5-S+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC4H9CHO+O2=NC4H9CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+07 0.00 4.000E+04 /
+NC4H9CHO+OH=NC4H9CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 2.143E+10 0.73 3.124E+04 /
+NC4H9CHO+H=NC4H9CO+H2 +4.000E+13 +0.000 +4200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.800E+13 0.00 2.400E+04 /
+NC4H9CHO+O=NC4H9CO+OH +5.000E+12 +0.000 +1790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.900E+04 /
+NC4H9CHO+HO2=NC4H9CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.000E+04 /
+NC4H9CHO+CH3=NC4H9CO+CH4 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+13 0.00 2.800E+04 /
+NC4H9CHO+CH3O=NC4H9CO+CH3OH +1.150E+11 +0.000 +1280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.00 1.800E+04 /
+NC4H9CHO+CH3O2=NC4H9CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.00 1.000E+04 /
+NC4H9CHO+OH=C4H8CHO-1+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.233E+09 0.95 2.104E+04 /
+NC4H9CHO+OH=C4H8CHO-2+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.837E+05 1.93 2.192E+04 /
+NC4H9CHO+OH=C4H8CHO-3+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.837E+05 1.93 2.192E+04 /
+NC4H9CHO+OH=C4H8CHO-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.202E+09 1.34 2.887E+04 /
+NC4H9CO=PC4H9+CO +1.000E+11 +0.000 +9600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 0.000E+00 /
+C4H8CHO-1=C2H4+CH2CH2CHO +5.984E+18 -1.600 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+C4H8CHO-2=C3H6+CH2CHO +2.984E+14 -0.760 +23320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H8CHO-3=C4H8-1+HCO +4.797E+14 -0.720 +24350.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H8CHO-3=AC3H5CHO+CH3 +3.643E+13 -0.360 +30330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H8CHO-4=C2H3CHO+C2H5 +1.863E+18 -1.300 +30830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+AC3H5CHO=C3H5-A+HCO +1.813E+19 -1.080 +68480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+AC3H5CHO+OH=AC3H5CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.741E+10 0.76 3.120E+04 /
+AC3H5CHO+OH=C2H3CHCHO+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.246E+08 1.79 3.493E+04 /
+AC3H5CHO+HO2=AC3H5CO+H2O2 +3.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.152E+13 -0.33 1.199E+04 /
+AC3H5CHO+HO2=C2H3CHCHO+H2O2 +9.630E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.283E+06 2.06 1.767E+04 /
+AC3H5CHO+CH3O2=AC3H5CO+CH3O2H +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 1.579E+13 -0.51 1.127E+04 /
+AC3H5CHO+CH3O2=C2H3CHCHO+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.939E+15 -0.72 2.009E+04 /
+AC3H5CO=C3H5-A+CO +6.199E+15 -1.090 -330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 4.810E+03 /
+C2H3CHCHO+HO2=>C2H3CHO+HCO+OH +8.910E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+NC3H7COCH3+OH=C3H6COCH3-1+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 3.604E+06 1.75 2.017E+04 /
+NC3H7COCH3+OH=C3H6COCH3-2+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 3.668E+05 2.01 2.166E+04 /
+NC3H7COCH3+OH=C3H6COCH3-3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 2.368E+13 -0.28 2.870E+04 /
+NC3H7COCH3+OH=NC3H7COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 9.286E+13 -0.74 2.773E+04 /
+NC3H7COCH3+HO2=C3H6COCH3-1+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.465E+04 2.24 4.442E+03 /
+NC3H7COCH3+HO2=C3H6COCH3-2+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 3.373E+11 0.05 8.142E+03 /
+NC3H7COCH3+HO2=C3H6COCH3-3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 3.327E+13 -0.60 6.160E+03 /
+NC3H7COCH3+HO2=NC3H7COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.572E+07 1.48 9.762E+03 /
+NC3H7COCH3+CH3O2=C3H6COCH3-1+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.281E+13 -0.49 6.607E+03 /
+NC3H7COCH3+CH3O2=C3H6COCH3-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.926E+11 -0.13 6.774E+03 /
+NC3H7COCH3+CH3O2=C3H6COCH3-3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.367E+15 -0.78 1.199E+04 /
+NC3H7COCH3+CH3O2=NC3H7COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.337E+16 -1.25 1.193E+04 /
+C3H6COCH3-1=C2H4+CH3COCH2 +2.904E+16 -1.210 +27000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.600E+03 /
+C3H6COCH3-2=C3H6+CH3CO +2.719E+16 -1.050 +25590.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C3H6COCH3-3=C2H3COCH3+CH3 +9.615E+15 -0.750 +32390.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+NC3H7COCH2=NC3H7+CH2CO +1.226E+18 -1.400 +43450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.160E+04 /
+C2H5COC2H5+OH=C2H5COC2H4P+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.194E+09 0.95 2.103E+04 /
+C2H5COC2H5+OH=C2H5COC2H4S+H2O +1.690E+12 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 3.296E+13 -0.32 2.874E+04 /
+C2H5COC2H5+HO2=C2H5COC2H4P+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.201E+04 2.20 4.472E+03 /
+C2H5COC2H5+HO2=C2H5COC2H4S+H2O2 +4.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 4.631E+13 -0.65 6.200E+03 /
+C2H5COC2H5+O2=C2H5COC2H4P+HO2 +4.100E+13 +0.000 +51310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.949E+10 0.31 -1.882E+03 /
+C2H5COC2H5+O2=C2H5COC2H4S+HO2 +3.100E+13 +0.000 +41970.0 ! *:_:* LLNL *:_:*
+ REV/ 2.537E+12 0.00 -1.702E+03 /
+C2H5COC2H5+H=C2H5COC2H4P+H2 +1.832E+07 +2.000 +7700.0 ! *:_:* LLNL *:_:*
+ REV/ 4.794E+05 1.98 1.199E+04 /
+C2H5COC2H5+H=C2H5COC2H4S+H2 +8.960E+06 +2.000 +3200.0 ! *:_:* LLNL *:_:*
+ REV/ 4.036E+07 1.68 1.701E+04 /
+C2H5COC2H5+C2H3=C2H5COC2H4P+C2H4 +1.000E+12 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.850E+08 0.81 1.404E+04 /
+C2H5COC2H5+C2H3=C2H5COC2H4S+C2H4 +6.000E+11 +0.000 +5600.0 ! *:_:* LLNL *:_:*
+ REV/ 3.976E+10 0.50 1.876E+04 /
+C2H5COC2H5+C2H5=C2H5COC2H4P+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.070E+13 -0.58 1.400E+04 /
+C2H5COC2H5+C2H5=C2H5COC2H4S+C2H6 +6.000E+10 +0.000 +8600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.105E+15 -0.89 1.872E+04 /
+C2H5COC2H5+CH3O=C2H5COC2H4P+CH3OH +4.340E+11 +0.000 +6460.0 ! *:_:* LLNL *:_:*
+ REV/ 5.475E+09 0.00 9.020E+03 /
+C2H5COC2H5+CH3O=C2H5COC2H4S+CH3OH +2.900E+11 +0.000 +2771.0 ! *:_:* LLNL *:_:*
+ REV/ 6.298E+11 -0.30 1.485E+04 /
+C2H5COC2H5+CH3O2=C2H5COC2H4P+CH3O2H +6.020E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.664E+13 -0.52 6.642E+03 /
+C2H5COC2H5+CH3O2=C2H5COC2H4S+CH3O2H +4.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.903E+15 -0.83 1.203E+04 /
+C2H5COC2H4P=C2H5CO+C2H4 +1.769E+17 -1.460 +29540.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.130E+04 /
+C2H5COC2H4S=C2H5COC2H3+H +8.704E+16 -0.820 +42130.0 ! *:_:* LLNL *:_:*
+ REV/ 1.300E+13 0.00 1.560E+03 /
+C2H5COC2H3+OH=C2H5COCH2+CH2O +1.000E+10 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.673E+11 -0.39 1.822E+04 /
+C2H5COC2H3+OH=PC2H4COC2H3+H2O +7.550E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.285E+08 2.53 2.021E+04 /
+C2H5COC2H3+OH=SC2H4COC2H3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.350E+13 -0.20 2.860E+04 /
+C2H5COC2H3+HO2=C2H5CO+CH2CHO+OH +6.030E+09 +0.000 +7949.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.00 0.000E+00 /
+C2H5COC2H3+HO2=PC2H4COC2H3+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.405E+03 3.78 3.652E+03 /
+C2H5COC2H3+HO2=SC2H4COC2H3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 1.896E+13 -0.53 6.065E+03 /
+C2H5COC2H3+CH3O2=C2H5CO+CH2CHO+CH3O +3.970E+11 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+00 0.00 0.000E+00 /
+C2H5COC2H3+CH3O2=PC2H4COC2H3+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.250E+12 1.06 5.822E+03 /
+C2H5COC2H3+CH3O2=SC2H4COC2H3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 7.793E+14 -0.71 1.190E+04 /
+PC2H4COC2H3=C2H3CO+C2H4 +5.263E+14 +0.380 +21460.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.130E+04 /
+SC2H4COC2H3=CH3CHCO+C2H3 +1.637E+16 -0.740 +54590.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.260E+04 /
+NC7H16=H+C7H15-1 +2.680E+88 -21.170 +142800.0 ! *:_:* LLNL *:_:*
+ REV/ 7.264E+84 -20.81 4.156E+04 /
+NC7H16=H+C7H15-2 +1.300E+88 -21.010 +139500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.263E+83 -20.31 4.083E+04 /
+NC7H16=H+C7H15-3 +1.300E+88 -21.010 +139500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.263E+83 -20.31 4.083E+04 /
+NC7H16=H+C7H15-4 +6.500E+87 -21.010 +139500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.255E+83 -20.31 4.083E+04 /
+NC7H16(+M)=C6H13-1+CH3(+M) +4.325E+24 -2.120 +89900.0 ! *:_:* LLNL *:_:*
+ LOW / 4.9630E+42 -7.7800E+00 4.2800E+04 /
+ TROE / 8.9200E-01 1.0000E+10 2.2280E+00 1.7980E+09 /
+NC7H16(+M)=C5H11-1+C2H5(+M) +6.818E+26 -2.700 +88910.0 ! *:_:* LLNL *:_:*
+ LOW / 3.7530E+48 -9.4600E+00 4.1310E+04 /
+ TROE / 9.0000E-02 3.6556E+00 1.0000E+10 9.3300E+09 /
+NC7H16(+M)=PC4H9+NC3H7(+M) +1.362E+26 -2.530 +88760.0 ! *:_:* LLNL *:_:*
+ LOW / 6.5090E+48 -9.5700E+00 4.1290E+04 /
+ TROE / 9.1100E-01 1.0000E+10 2.2382E+01 5.0000E+09 /
+NC7H16+H=C7H15-1+H2 +1.880E+05 +2.750 +6280.0 ! *:_:* LLNL *:_:*
+ REV/ 2.037E+01 3.38 8.618E+03 /
+NC7H16+H=C7H15-2+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.807E+01 3.38 9.318E+03 /
+NC7H16+H=C7H15-3+H2 +2.600E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.807E+01 3.38 9.318E+03 /
+NC7H16+H=C7H15-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 1.800E+01 3.38 9.318E+03 /
+NC7H16+O=C7H15-1+OH +1.930E+05 +2.680 +3716.0 ! *:_:* LLNL *:_:*
+ REV/ 1.085E+01 3.29 4.642E+03 /
+NC7H16+O=C7H15-2+OH +9.540E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.481E-01 3.67 5.541E+03 /
+NC7H16+O=C7H15-3+OH +9.540E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.481E-01 3.67 5.541E+03 /
+NC7H16+O=C7H15-4+OH +4.770E+04 +2.710 +2106.0 ! *:_:* LLNL *:_:*
+ REV/ 3.468E-01 3.67 5.541E+03 /
+NC7H16+OH=C7H15-1+H2O +2.570E+07 +1.800 +954.0 ! *:_:* LLNL *:_:*
+ REV/ 2.952E+04 2.33 1.818E+04 /
+NC7H16+OH=C7H15-2+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.624E+02 2.87 1.914E+04 /
+NC7H16+OH=C7H15-3+H2O +4.900E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.624E+02 2.87 1.914E+04 /
+NC7H16+OH=C7H15-4+H2O +2.450E+06 +2.000 -596.0 ! *:_:* LLNL *:_:*
+ REV/ 3.610E+02 2.87 1.914E+04 /
+NC7H16+HO2=C7H15-1+H2O2 +4.080E+01 +3.590 +17160.0 ! *:_:* LLNL *:_:*
+ REV/ 2.557E+00 3.53 3.498E+03 /
+NC7H16+HO2=C7H15-2+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.982E-01 3.66 2.562E+03 /
+NC7H16+HO2=C7H15-3+H2O2 +1.264E+02 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.982E-01 3.66 2.562E+03 /
+NC7H16+HO2=C7H15-4+H2O2 +6.320E+01 +3.370 +13720.0 ! *:_:* LLNL *:_:*
+ REV/ 4.952E-01 3.66 2.562E+03 /
+NC7H16+CH3=C7H15-1+CH4 +9.040E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 8.935E-02 3.84 1.103E+04 /
+NC7H16+CH3=C7H15-2+CH4 +5.410E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 3.432E+02 2.79 1.367E+04 /
+NC7H16+CH3=C7H15-3+CH4 +5.410E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 3.432E+02 2.79 1.367E+04 /
+NC7H16+CH3=C7H15-4+CH4 +2.705E+04 +2.260 +7287.0 ! *:_:* LLNL *:_:*
+ REV/ 3.419E+02 2.79 1.367E+04 /
+NC7H16+O2=C7H15-1+HO2 +4.200E+13 +0.000 +52800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.386E+10 0.28 4.530E+02 /
+NC7H16+O2=C7H15-2+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.63 3.090E+02 /
+NC7H16+O2=C7H15-3+HO2 +2.800E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+09 0.63 3.090E+02 /
+NC7H16+O2=C7H15-4+HO2 +1.400E+13 +0.000 +50150.0 ! *:_:* LLNL *:_:*
+ REV/ 9.941E+08 0.63 3.090E+02 /
+NC7H16+C2H5=C7H15-1+C2H6 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+ REV/ 3.200E+11 0.00 1.230E+04 /
+NC7H16+C2H5=C7H15-2+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC7H16+C2H5=C7H15-3+C2H6 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC7H16+C2H5=C7H15-4+C2H6 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+NC7H16+CH3O=C7H15-1+CH3OH +3.160E+11 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.200E+10 0.00 9.200E+03 /
+NC7H16+CH3O=C7H15-2+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.00 7.200E+03 /
+NC7H16+CH3O=C7H15-3+CH3OH +2.190E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.00 7.200E+03 /
+NC7H16+CH3O=C7H15-4+CH3OH +1.095E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+ REV/ 8.900E+09 0.00 7.200E+03 /
+NC7H16+C2H3=C7H15-1+C2H4 +1.000E+12 +0.000 +18000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.570E+12 0.00 2.540E+04 /
+NC7H16+C2H3=C7H15-2+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC7H16+C2H3=C7H15-3+C2H4 +8.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC7H16+C2H3=C7H15-4+C2H4 +4.000E+11 +0.000 +16800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 2.420E+04 /
+NC7H16+CH3O2=C7H15-1+CH3O2H +1.386E+00 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+ REV/ 1.690E+00 3.46 3.024E+03 /
+NC7H16+CH3O2=C7H15-2+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.562E+00 3.42 2.054E+03 /
+NC7H16+CH3O2=C7H15-3+CH3O2H +2.037E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.562E+00 3.42 2.054E+03 /
+NC7H16+CH3O2=C7H15-4+CH3O2H +1.019E+01 +3.580 +14810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.553E+00 3.42 2.054E+03 /
+NC7H16+O2CHO=C7H15-1+HO2CHO +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.170E+03 2.25 3.057E+03 /
+NC7H16+O2CHO=C7H15-2+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.482E+01 2.64 2.823E+03 /
+NC7H16+O2CHO=C7H15-3+HO2CHO +1.120E+13 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.482E+01 2.64 2.823E+03 /
+NC7H16+O2CHO=C7H15-4+HO2CHO +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+ REV/ 2.472E+01 2.64 2.823E+03 /
+NC7H16+C7H15O2-1=C7H15-1+C7H15O2H-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-1+C7H15O2H-2 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-1+C7H15O2H-3 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-1+C7H15O2H-4 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-1=C7H15-2+C7H15O2H-1 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-2+C7H15O2H-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-2+C7H15O2H-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-2+C7H15O2H-4 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-1=C7H15-3+C7H15O2H-1 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-3+C7H15O2H-2 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-3+C7H15O2H-3 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-3+C7H15O2H-4 +8.064E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-1=C7H15-4+C7H15O2H-1 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-2=C7H15-4+C7H15O2H-2 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-3=C7H15-4+C7H15O2H-3 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15O2-4=C7H15-4+C7H15O2H-4 +4.032E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 1.440E+10 0.00 1.500E+04 /
+NC7H16+C7H15-1=C7H15-2+NC7H16 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC7H16+C7H15-1=C7H15-3+NC7H16 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC7H16+C7H15-1=C7H15-4+NC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 1.230E+04 /
+NC7H16+C7H15-2=C7H15-3+NC7H16 +1.000E+11 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+NC7H16+C7H15-2=C7H15-4+NC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+NC7H16+C7H15-3=C7H15-4+NC7H16 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.040E+04 /
+C7H15-1=C5H11-1+C2H4 +1.227E+19 -1.910 +31400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.200E+03 /
+C7H15-1=C7H14-1+H +9.648E+13 -0.260 +36010.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-2=PC4H9+C3H6 +9.764E+18 -1.790 +31360.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.200E+03 /
+C7H15-2=C7H14-1+H +6.067E+12 +0.090 +36810.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 1.200E+03 /
+C7H15-2=C7H14-2+H +1.229E+13 -0.080 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-3=C4H8-1+NC3H7 +6.165E+18 -1.710 +30960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.700E+03 /
+C7H15-3=C6H12-1+CH3 +2.698E+17 -1.350 +31480.0 ! *:_:* LLNL *:_:*
+ REV/ 1.750E+11 0.00 7.200E+03 /
+C7H15-3=C7H14-2+H +1.229E+13 -0.080 +35640.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-3=C7H14-3+H +9.152E+12 -0.020 +35730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-4=C2H5+C5H10-1 +1.143E+18 -1.340 +31430.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.200E+03 /
+C7H15-4=C7H14-3+H +1.819E+13 -0.020 +35730.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 2.900E+03 /
+C7H15-1+O2=C7H14-1+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.517E-10 0.18 1.876E+04 /
+C7H15-2+O2=C7H14-1+HO2 +4.500E-09 +0.000 +5020.0 ! *:_:* LLNL *:_:*
+ REV/ 1.532E-08 -0.16 1.827E+04 /
+C7H15-2+O2=C7H14-2+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.040E-09 0.01 1.912E+04 /
+C7H15-3+O2=C7H14-2+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.040E-09 0.01 1.912E+04 /
+C7H15-3+O2=C7H14-3+HO2 +3.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.769E-09 -0.05 1.903E+04 /
+C7H15-4+O2=C7H14-3+HO2 +6.000E-09 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.795E-09 -0.05 1.903E+04 /
+C7H15-1=C7H15-3 +1.386E+09 +0.980 +33760.0 ! *:_:* LLNL *:_:*
+ REV/ 8.716E+07 1.33 3.627E+04 /
+C7H15-1=C7H15-4 +2.541E+09 +0.350 +19760.0 ! *:_:* LLNL *:_:*
+ REV/ 3.176E+08 0.70 2.227E+04 /
+C7H15-2=C7H15-3 +9.587E+08 +1.390 +39700.0 ! *:_:* LLNL *:_:*
+ REV/ 9.587E+08 1.39 3.970E+04 /
+C7H15-1=C7H15-2 +5.478E+08 +1.620 +38760.0 ! *:_:* LLNL *:_:*
+ REV/ 3.445E+07 1.97 4.127E+04 /
+C7H14-1+H=C7H131-3+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.393E+06 2.10 2.062E+04 /
+C7H14-1+H=C7H131-4+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+03 2.74 1.154E+04 /
+C7H14-1+H=C7H131-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+03 2.74 1.154E+04 /
+C7H14-1+H=C7H131-6+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.834E+03 2.74 1.154E+04 /
+C7H14-1+H=C7H131-7+H2 +6.650E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.056E+04 2.54 1.132E+04 /
+C7H14-1+OH=C7H131-3+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.557E+06 2.38 3.365E+04 /
+C7H14-1+OH=C7H131-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.963E+05 1.95 2.219E+04 /
+C7H14-1+OH=C7H131-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.963E+05 1.95 2.219E+04 /
+C7H14-1+OH=C7H131-6+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.963E+05 1.95 2.219E+04 /
+C7H14-1+OH=C7H131-7+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.049E+09 0.97 2.130E+04 /
+C7H14-1+CH3=C7H131-3+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.254E+03 3.05 2.489E+04 /
+C7H14-1+CH3=C7H131-4+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.163E-01 3.80 1.303E+04 /
+C7H14-1+CH3=C7H131-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.163E-01 3.80 1.303E+04 /
+C7H14-1+CH3=C7H131-6+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.163E-01 3.80 1.303E+04 /
+C7H14-1+CH3=C7H131-7+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.427E-01 3.65 1.219E+04 /
+C7H14-1+HO2=C7H131-3+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.612E+06 1.96 1.463E+04 /
+C7H14-1+HO2=C7H131-4+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.307E+02 2.62 4.672E+03 /
+C7H14-1+HO2=C7H131-5+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.307E+02 2.62 4.672E+03 /
+C7H14-1+HO2=C7H131-6+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.307E+02 2.62 4.672E+03 /
+C7H14-1+HO2=C7H131-7+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.811E+04 2.22 4.746E+03 /
+C7H14-1+CH3O2=C7H131-3+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.357E+06 1.79 1.161E+04 /
+C7H14-1+CH3O2=C7H131-4+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+03 2.44 1.652E+03 /
+C7H14-1+CH3O2=C7H131-5+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+03 2.44 1.652E+03 /
+C7H14-1+CH3O2=C7H131-6+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+03 2.44 1.652E+03 /
+C7H14-1+CH3O2=C7H131-7+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.853E+04 2.04 1.726E+03 /
+C7H14-1+CH3O=C7H131-3+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.510E+02 2.66 2.729E+04 /
+C7H14-1+CH3O=C7H131-4+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+08 0.37 9.911E+03 /
+C7H14-1+CH3O=C7H131-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+08 0.37 9.911E+03 /
+C7H14-1+CH3O=C7H131-6+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.062E+08 0.37 9.911E+03 /
+C7H14-1+CH3O=C7H131-7+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.808E+09 0.02 9.288E+03 /
+C7H14-2+H=C7H131-3+H2 +1.730E+05 +2.500 +2492.0 ! *:_:* LLNL *:_:*
+ REV/ 4.561E+06 2.06 2.003E+04 /
+C7H14-2+H=C7H132-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.400E+06 2.10 2.059E+04 /
+C7H14-2+H=C7H132-5+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.843E+03 2.74 1.152E+04 /
+C7H14-2+H=C7H132-6+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.843E+03 2.74 1.152E+04 /
+C7H14-2+H=C7H132-7+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.149E+04 2.53 1.130E+04 /
+C7H14-2+OH=C7H131-3+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 3.561E+08 1.56 3.240E+04 /
+C7H14-2+OH=C7H132-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.560E+06 2.38 3.362E+04 /
+C7H14-2+OH=C7H132-5+H2O +4.670E+05 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.978E+03 1.95 2.217E+04 /
+C7H14-2+OH=C7H132-6+H2O +4.670E+05 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 5.978E+03 1.95 2.217E+04 /
+C7H14-2+OH=C7H132-7+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.080E+09 0.96 2.128E+04 /
+C7H14-2+CH3=C7H131-3+CH4 +2.210E+00 +3.500 +5675.0 ! *:_:* LLNL *:_:*
+ REV/ 1.522E+03 3.06 2.370E+04 /
+C7H14-2+CH3=C7H132-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.256E+03 3.05 2.486E+04 /
+C7H14-2+CH3=C7H132-5+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.166E-01 3.80 1.301E+04 /
+C7H14-2+CH3=C7H132-6+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.166E-01 3.80 1.301E+04 /
+C7H14-2+CH3=C7H132-7+CH4 +4.521E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 5.591E-01 3.64 1.217E+04 /
+C7H14-2+HO2=C7H131-3+H2O2 +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 6.531E+06 1.84 1.514E+04 /
+C7H14-2+HO2=C7H132-4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.615E+06 1.96 1.460E+04 /
+C7H14-2+HO2=C7H132-5+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.325E+02 2.62 4.652E+03 /
+C7H14-2+HO2=C7H132-6+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.325E+02 2.62 4.652E+03 /
+C7H14-2+HO2=C7H132-7+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.896E+04 2.21 4.726E+03 /
+C7H14-2+CH3O2=C7H131-3+CH3O2H +9.639E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.360E+07 1.66 1.212E+04 /
+C7H14-2+CH3O2=C7H132-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.362E+06 1.79 1.158E+04 /
+C7H14-2+CH3O2=C7H132-5+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.525E+03 2.44 1.632E+03 /
+C7H14-2+CH3O2=C7H132-6+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.525E+03 2.44 1.632E+03 /
+C7H14-2+CH3O2=C7H132-7+CH3O2H +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.030E+04 2.04 1.706E+03 /
+C7H14-2+CH3O=C7H131-3+CH3OH +9.000E+01 +2.950 +11990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.144E+03 2.54 2.780E+04 /
+C7H14-2+CH3O=C7H132-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.513E+02 2.66 2.726E+04 /
+C7H14-2+CH3O=C7H132-5+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.067E+08 0.37 9.891E+03 /
+C7H14-2+CH3O=C7H132-6+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.067E+08 0.37 9.891E+03 /
+C7H14-2+CH3O=C7H132-7+CH3OH +2.170E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 4.953E+09 0.02 9.268E+03 /
+C7H14-3+H=C7H133-1+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.097E+04 2.53 1.126E+04 /
+C7H14-3+H=C7H132-4+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 3.276E+06 2.16 2.068E+04 /
+C7H14-3+H=C7H133-5+H2 +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+ REV/ 4.380E+06 2.10 2.056E+04 /
+C7H14-3+H=C7H133-6+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+ REV/ 3.916E+03 2.74 1.149E+04 /
+C7H14-3+H=C7H133-7+H2 +6.651E+05 +2.540 +6756.0 ! *:_:* LLNL *:_:*
+ REV/ 3.097E+04 2.53 1.126E+04 /
+C7H14-3+OH=C7H133-1+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.125E+09 0.96 2.124E+04 /
+C7H14-3+OH=C7H132-4+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.161E+06 2.44 3.371E+04 /
+C7H14-3+OH=C7H133-5+H2O +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+ REV/ 1.552E+06 2.38 3.359E+04 /
+C7H14-3+OH=C7H133-6+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 6.091E+05 1.95 2.214E+04 /
+C7H14-3+OH=C7H133-7+H2O +1.054E+10 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 2.125E+09 0.96 2.124E+04 /
+C7H14-3+CH3=C7H133-1+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+00 3.64 1.213E+04 /
+C7H14-3+CH3=C7H132-4+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 9.355E+02 3.11 2.495E+04 /
+C7H14-3+CH3=C7H133-5+CH4 +3.690E+00 +3.310 +4002.0 ! *:_:* LLNL *:_:*
+ REV/ 1.251E+03 3.05 2.483E+04 /
+C7H14-3+CH3=C7H133-6+CH4 +1.510E+00 +3.460 +5481.0 ! *:_:* LLNL *:_:*
+ REV/ 1.188E-01 3.80 1.298E+04 /
+C7H14-3+CH3=C7H133-7+CH4 +9.042E-01 +3.650 +7154.0 ! *:_:* LLNL *:_:*
+ REV/ 1.100E+00 3.64 1.213E+04 /
+C7H14-3+HO2=C7H133-1+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.697E+04 2.22 4.686E+03 /
+C7H14-3+HO2=C7H132-4+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.202E+06 2.03 1.469E+04 /
+C7H14-3+HO2=C7H133-5+H2O2 +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.607E+06 1.96 1.457E+04 /
+C7H14-3+HO2=C7H133-6+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 7.464E+02 2.61 4.622E+03 /
+C7H14-3+HO2=C7H133-7+H2O2 +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 5.697E+04 2.22 4.686E+03 /
+C7H14-3+CH3O2=C7H133-1+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.186E+05 2.04 1.666E+03 /
+C7H14-3+CH3O2=C7H132-4+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 2.503E+06 1.85 1.167E+04 /
+C7H14-3+CH3O2=C7H133-5+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+ REV/ 3.346E+06 1.79 1.155E+04 /
+C7H14-3+CH3O2=C7H133-6+CH3O2H +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.554E+03 2.44 1.602E+03 /
+C7H14-3+CH3O2=C7H133-7+CH3O2H +4.760E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.186E+05 2.04 1.666E+03 /
+C7H14-3+CH3O=C7H133-1+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.743E+09 0.02 9.228E+03 /
+C7H14-3+CH3O=C7H132-4+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 1.871E+02 2.73 2.735E+04 /
+C7H14-3+CH3O=C7H133-5+CH3OH +4.000E+01 +2.900 +8609.0 ! *:_:* LLNL *:_:*
+ REV/ 2.502E+02 2.66 2.723E+04 /
+C7H14-3+CH3O=C7H133-6+CH3OH +1.450E+11 +0.000 +4571.0 ! *:_:* LLNL *:_:*
+ REV/ 2.106E+08 0.37 9.861E+03 /
+C7H14-3+CH3O=C7H133-7+CH3OH +4.340E+11 +0.000 +6458.0 ! *:_:* LLNL *:_:*
+ REV/ 9.743E+09 0.02 9.228E+03 /
+C7H131-3+HO2=C7H13O1-3+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.435E+15 -1.02 1.540E+04 /
+C7H131-3+CH3O2=C7H13O1-3+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.332E+17 -1.60 2.016E+04 /
+C7H131-3+C2H5O2=C7H13O1-3+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.836E+14 -0.68 1.800E+04 /
+C7H131-3=C4H6+NC3H7 +1.105E+19 -1.530 +40700.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.00 8.300E+03 /
+C7H131-4=C5H10-1+C2H3 +2.492E+12 +0.030 +37300.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.00 8.300E+03 /
+C7H131-4=C5H81-3+C2H5 +2.289E+14 -0.680 +22050.0 ! *:_:* LLNL *:_:*
+ REV/ 8.500E+10 0.00 8.300E+03 /
+C7H131-5=C4H8-1+C3H5-A +6.177E+15 -1.180 +17980.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.00 8.300E+03 /
+C7H131-6=C3H6+C4H71-4 +1.238E+17 -1.170 +30740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H131-7=C2H4+C5H91-5 +9.416E+17 -1.560 +31180.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H132-4+HO2=C7H13O2-4+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.273E+15 -1.02 1.543E+04 /
+C7H132-4+CH3O2=C7H13O2-4+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 4.173E+17 -1.59 2.019E+04 /
+C7H132-4+C2H5O2=C7H13O2-4+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.732E+14 -0.67 1.803E+04 /
+C7H132-5=C4H8-1+C3H5-S +9.419E+17 -1.490 +44260.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H132-6=C3H6+C4H71-3 +2.189E+14 -0.740 +17740.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H132-7=C2H4+C5H92-5 +9.786E+17 -1.570 +31160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H133-1=C2H4+C5H91-1 +1.007E+17 -1.320 +43990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H133-5+HO2=C7H13O3-5+OH +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.182E+15 -0.84 1.527E+04 /
+C7H133-5+CH3O2=C7H13O3-5+CH3O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.155E+17 -1.42 2.003E+04 /
+C7H133-5+C2H5O2=C7H13O3-5+C2H5O +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 7.559E+13 -0.50 1.787E+04 /
+C7H133-6=C3H6+C4H71-1 +1.354E+16 -0.920 +43560.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H133-7=C2H4+C5H91-3 +2.274E+15 -1.200 +18050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C7H13O1-3=C2H3CHO+PC4H9 +9.625E+19 -1.960 +10850.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O1-3=NC4H9CHO+C2H3 +1.026E+18 -1.510 +23300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O2-4=SC3H5CHO+NC3H7 +6.319E+19 -1.930 +11130.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O2-4=NC3H7CHO+C3H5-S +1.012E+22 -2.460 +29190.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O3-5=C4H7CHO1-1+C2H5 +6.033E+18 -1.620 +10450.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H13O3-5=C2H5CHO+C4H71-1 +6.425E+21 -2.430 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C7H14-1+OH=CH2O+C6H13-1 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-1+OH=CH3CHO+C5H11-1 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-2+OH=CH3CHO+C5H11-1 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-2+OH=C2H5CHO+PC4H9 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-3+OH=C2H5CHO+PC4H9 +1.000E+11 +0.000 -4000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-1+O=CH2CHO+C5H11-1 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-2+O=CH3CHO+C5H10-1 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-3+O=CH3CHO+C5H10-1 +1.000E+11 +0.000 -1050.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14-1=PC4H9+C3H5-A +3.170E+21 -1.620 +75330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+C7H14-2=C4H71-3+NC3H7 +3.735E+21 -1.740 +75710.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+C7H14-3=C5H91-3+C2H5 +5.947E+21 -1.850 +75790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+13 0.00 0.000E+00 /
+C7H15O2-1=C7H15-1+O2 +2.657E+20 -1.670 +35400.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H15O2-2=C7H15-2+O2 +1.357E+23 -2.360 +37670.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H15O2-3=C7H15-3+O2 +1.357E+23 -2.360 +37670.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H15O2-4=C7H15-4+O2 +1.357E+23 -2.360 +37670.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H15-1+C7H15O2-1=2C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.116E+14 -0.23 3.025E+04 /
+C7H15-1+C7H15O2-2=C7H15O-1+C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+13 -0.16 2.988E+04 /
+C7H15-1+C7H15O2-3=C7H15O-1+C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+13 -0.16 2.988E+04 /
+C7H15-1+C7H15O2-4=C7H15O-1+C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+13 -0.16 2.988E+04 /
+C7H15-2+C7H15O2-1=C7H15O-2+C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.689E+15 -0.80 3.216E+04 /
+C7H15-2+C7H15O2-2=2C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-2+C7H15O2-3=C7H15O-2+C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-2+C7H15O2-4=C7H15O-2+C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-3+C7H15O2-1=C7H15O-3+C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.689E+15 -0.80 3.216E+04 /
+C7H15-3+C7H15O2-2=C7H15O-3+C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-3+C7H15O2-3=2C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-3+C7H15O2-4=C7H15O-3+C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-4+C7H15O2-1=C7H15O-4+C7H15O-1 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.689E+15 -0.80 3.216E+04 /
+C7H15-4+C7H15O2-2=C7H15O-4+C7H15O-2 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-4+C7H15O2-3=C7H15O-4+C7H15O-3 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.510E+15 -0.73 3.179E+04 /
+C7H15-4+C7H15O2-4=2C7H15O-4 +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 5.511E+15 -0.73 3.179E+04 /
+C7H15-1+HO2=C7H15O-1+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.549E+15 -0.57 2.616E+04 /
+C7H15-2+HO2=C7H15O-2+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.081E+17 -1.15 2.807E+04 /
+C7H15-3+HO2=C7H15O-3+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.081E+17 -1.15 2.807E+04 /
+C7H15-4+HO2=C7H15O-4+OH +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 3.081E+17 -1.15 2.807E+04 /
+C7H15-1+CH3O2=C7H15O-1+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.220E+14 -0.28 3.040E+04 /
+C7H15-2+CH3O2=C7H15O-2+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.927E+16 -0.85 3.231E+04 /
+C7H15-3+CH3O2=C7H15O-3+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.927E+16 -0.85 3.231E+04 /
+C7H15-4+CH3O2=C7H15O-4+CH3O +7.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.927E+16 -0.85 3.231E+04 /
+C7H15O2-1=C7H14-1+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.291E+29 -6.22 2.086E+04 /
+C7H15O2-2=C7H14-1+HO2 +1.008E+43 -9.410 +42490.0 ! *:_:* LLNL *:_:*
+ REV/ 9.596E+32 -7.21 1.707E+04 /
+C7H15O2-2=C7H14-2+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.708E+28 -5.74 1.894E+04 /
+C7H15O2-3=C7H14-2+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 4.708E+28 -5.74 1.894E+04 /
+C7H15O2-3=C7H14-3+HO2 +1.004E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.323E+28 -5.80 1.885E+04 /
+C7H15O2-4=C7H14-3+HO2 +2.009E+39 -8.110 +41490.0 ! *:_:* LLNL *:_:*
+ REV/ 6.348E+28 -5.80 1.885E+04 /
+C7H15O2-1=C7H14OOH1-2 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-1=C7H14OOH1-3 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-1=C7H14OOH1-4 +3.125E+09 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H15O2-1=C7H14OOH1-5 +3.906E+08 +0.000 +21650.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-1 +3.000E+11 +0.000 +29000.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-3 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-4 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-5 +3.125E+09 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H15O2-2=C7H14OOH2-6 +3.906E+08 +0.000 +21650.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-1 +3.750E+10 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-2 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-4 +2.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-5 +2.500E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-6 +3.125E+09 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H15O2-3=C7H14OOH3-7 +5.860E+08 +0.000 +25150.0 ! *:_:* LLNL *:_:*
+C7H15O2-4=C7H14OOH4-1 +9.376E+09 +0.000 +21950.0 ! *:_:* LLNL *:_:*
+C7H15O2-4=C7H14OOH4-2 +5.000E+10 +0.000 +20450.0 ! *:_:* LLNL *:_:*
+C7H15O2-4=C7H14OOH4-3 +4.000E+11 +0.000 +26450.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+HO2=C7H15O2H-1+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 3.782E+13 -0.79 3.401E+04 /
+C7H15O2-2+HO2=C7H15O2H-2+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.496E+13 -0.82 3.404E+04 /
+C7H15O2-3+HO2=C7H15O2H-3+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.496E+13 -0.82 3.404E+04 /
+C7H15O2-4+HO2=C7H15O2H-4+O2 +1.750E+10 +0.000 -3275.0 ! *:_:* LLNL *:_:*
+ REV/ 4.497E+13 -0.82 3.404E+04 /
+H2O2+C7H15O2-1=HO2+C7H15O2H-1 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+H2O2+C7H15O2-2=HO2+C7H15O2H-2 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+H2O2+C7H15O2-3=HO2+C7H15O2H-3 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+H2O2+C7H15O2-4=HO2+C7H15O2H-4 +2.400E+12 +0.000 +10000.0 ! *:_:* LLNL *:_:*
+ REV/ 2.400E+12 0.00 1.000E+04 /
+C7H15O2-1+CH3O2=C7H15O-1+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-2+CH3O2=C7H15O-2+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-3+CH3O2=C7H15O-3+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-4+CH3O2=C7H15O-4+CH3O+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-1=O2+2C7H15O-1 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-1+C7H15O2-2=C7H15O-1+C7H15O-2+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-1+C7H15O2-3=C7H15O-1+C7H15O-3+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-1+C7H15O2-4=C7H15O-1+C7H15O-4+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-2=O2+2C7H15O-2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-2+C7H15O2-3=C7H15O-2+C7H15O-3+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-2+C7H15O2-4=C7H15O-2+C7H15O-4+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-3=O2+2C7H15O-3 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2-3+C7H15O2-4=C7H15O-3+C7H15O-4+O2 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+2C7H15O2-4=O2+2C7H15O-4 +1.400E+16 -1.610 +1860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H15O2H-1=C7H15O-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 1.989E+07 1.93 -6.522E+03 /
+C7H15O2H-2=C7H15O-2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.517E+06 2.03 -6.922E+03 /
+C7H15O2H-3=C7H15O-3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.517E+06 2.03 -6.922E+03 /
+C7H15O2H-4=C7H15O-4+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 9.516E+06 2.03 -6.922E+03 /
+C7H15O-1=CH2O+C6H13-1 +6.023E+20 -2.180 +24830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C7H15O-2=CH3CHO+C5H11-1 +1.475E+22 -2.550 +20370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+C7H15O-3=C2H5CHO+PC4H9 +6.573E+17 -1.160 +19370.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+C7H15O-4=NC3H7CHO+NC3H7 +4.769E+22 -2.580 +21820.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.290E+04 /
+C7H14-1+HO2=C7H14OOH1-2 +2.500E+03 +2.500 +11200.0 ! *:_:* LLNL *:_:*
+C7H14-1+HO2=C7H14OOH2-1 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-2+HO2=C7H14OOH2-3 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-2+HO2=C7H14OOH3-2 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-3+HO2=C7H14OOH3-4 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14-3+HO2=C7H14OOH4-3 +2.700E+03 +2.500 +10500.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-2=C7H14O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-3=C7H14O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-4=C7H14O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-5=C7H14O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-1=C7H14O1-2+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-3=C7H14O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-4=C7H14O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-5=C7H14O2-5+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-6=C7H14O2-6+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-1=C7H14O1-3+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-2=C7H14O2-3+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-4=C7H14O3-4+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-5=C7H14O3-5+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-6=C7H14O2-5+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-7=C7H14O1-5+OH +1.172E+09 +0.000 +1800.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-1=C7H14O1-4+OH +9.375E+09 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-2=C7H14O2-4+OH +7.500E+10 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-3=C7H14O3-4+OH +6.000E+11 +0.000 +22000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-3=OH+CH2O+C6H12-1 +2.147E+09 +1.230 +30370.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH2-4=OH+CH3CHO+C5H10-1 +1.548E+12 +0.590 +30090.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-1=OH+NC4H9CHO+C2H4 +8.182E+13 -0.130 +31330.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH3-5=OH+C2H5CHO+C4H8-1 +2.661E+13 +0.130 +30430.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH4-2=OH+NC3H7CHO+C3H6 +6.186E+13 +0.090 +30840.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-3=C4H7OOH1-4+NC3H7 +1.609E+12 +0.540 +27740.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH1-4=C5H10-1+C2H4+HO2 +1.446E+11 +0.690 +30820.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OOH1-4=C5H9OOH1-5+C2H5 +1.721E+12 +0.510 +27900.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH2-4=C5H9OOH1-4+C2H5 +4.080E+12 +0.320 +29230.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH2-5=C4H8-1+C3H6OOH2-1 +6.856E+13 +0.030 +31380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH2-5=C6H11OOH1-5+CH3 +7.417E+10 +0.750 +30260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH3-5=C6H11OOH1-4+CH3 +7.417E+10 +0.750 +30260.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH3-6=C4H8OOH2-1+C3H6 +4.578E+11 +0.600 +29170.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH4-1=C5H10OOH2-1+C2H4 +1.643E+12 +0.440 +29320.0 ! *:_:* LLNL *:_:*
+ REV/ 2.200E+03 2.48 6.130E+03 /
+C7H14OOH1-2O2=C7H14OOH1-2+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-3O2=C7H14OOH1-3+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-4O2=C7H14OOH1-4+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-5O2=C7H14OOH1-5+O2 +1.367E+23 -2.370 +37640.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-1O2=C7H14OOH2-1+O2 +3.323E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH2-3O2=C7H14OOH2-3+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-4O2=C7H14OOH2-4+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-5O2=C7H14OOH2-5+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH2-6O2=C7H14OOH2-6+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-1O2=C7H14OOH3-1+O2 +3.323E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH3-2O2=C7H14OOH3-2+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-4O2=C7H14OOH3-4+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-5O2=C7H14OOH3-5+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-6O2=C7H14OOH3-6+O2 +1.389E+23 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH3-7O2=C7H14OOH3-7+O2 +3.323E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH4-1O2=C7H14OOH4-1+O2 +1.668E+20 -1.650 +35280.0 ! *:_:* LLNL *:_:*
+ REV/ 4.520E+12 0.00 0.000E+00 /
+C7H14OOH4-2O2=C7H14OOH4-2+O2 +6.969E+22 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH4-3O2=C7H14OOH4-3+O2 +6.969E+22 -2.380 +37600.0 ! *:_:* LLNL *:_:*
+ REV/ 7.540E+12 0.00 0.000E+00 /
+C7H14OOH1-2O2=NC7KET12+OH +2.000E+11 +0.000 +26000.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-3O2=NC7KET13+OH +2.500E+10 +0.000 +21000.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-4O2=NC7KET14+OH +3.125E+09 +0.000 +18950.0 ! *:_:* LLNL *:_:*
+C7H14OOH1-5O2=NC7KET15+OH +3.906E+08 +0.000 +22150.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-1O2=NC7KET21+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-3O2=NC7KET23+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-4O2=NC7KET24+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-5O2=NC7KET25+OH +1.563E+09 +0.000 +15650.0 ! *:_:* LLNL *:_:*
+C7H14OOH2-6O2=NC7KET26+OH +1.953E+08 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-1O2=NC7KET31+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-2O2=NC7KET32+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-4O2=NC7KET34+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-5O2=NC7KET35+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-6O2=NC7KET36+OH +1.563E+09 +0.000 +15650.0 ! *:_:* LLNL *:_:*
+C7H14OOH3-7O2=NC7KET37+OH +1.953E+08 +0.000 +18650.0 ! *:_:* LLNL *:_:*
+C7H14OOH4-1O2=NC7KET41+OH +1.563E+09 +0.000 +15650.0 ! *:_:* LLNL *:_:*
+C7H14OOH4-2O2=NC7KET42+OH +1.250E+10 +0.000 +17450.0 ! *:_:* LLNL *:_:*
+C7H14OOH4-3O2=NC7KET43+OH +1.000E+11 +0.000 +23450.0 ! *:_:* LLNL *:_:*
+NC7KET12=NC5H11CHO+HCO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET13=NC4H9CHO+CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET14=NC3H7CHO+CH2CH2CHO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET15=C2H5CHO+C3H6CHO-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET21=CH2O+NC5H11CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET23=NC4H9CHO+CH3CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET24=NC3H7CHO+CH3COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET25=C2H5CHO+CH2CH2COCH3+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET26=CH3CHO+C3H6COCH3-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET31=CH2O+NC4H9COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET32=CH3CHO+NC4H9CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET34=NC3H7CHO+C2H5CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET35=C2H5CHO+C2H5COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET36=CH3CHO+C2H5COC2H4P+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET37=CH2O+C3H6COC2H5-1+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET41=CH2O+NC3H7COC2H4P+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET42=CH3CHO+NC3H7COCH2+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC7KET43=C2H5CHO+NC3H7CO+OH +1.000E+16 +0.000 +39000.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+OH=PC4H9+C2H3CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+OH=C6H12-1+HCO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+OH=C5H10-1+CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+OH=C4H8-1+CH2CH2CHO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+OH=C2H3COCH3+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+OH=CH3CO+C5H10-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+OH=CH3COCH2+C4H8-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+OH=CH2CH2COCH3+C3H6+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+OH=C2H5COC2H3+C2H5+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+OH=C2H5CO+C4H8-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+OH=CH2CO+C5H11-1+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+OH=C2H4+NC4H9CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+OH=C2H4+NC3H7COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+OH=C2H4+C2H5COC2H4P+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+OH=CH3CHCO+PC4H9+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+OH=C3H6+NC3H7CO+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+OH=C3H6+C2H5COCH2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+OH=CH3CHO+C5H91-4+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+OH=C2H5CHCO+NC3H7+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+OH=C2H5CHO+C4H71-2+H2O +2.500E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+HO2=PC4H9+C2H3CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+HO2=C6H12-1+HCO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+HO2=C5H10-1+CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+HO2=C4H8-1+CH2CH2CHO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+HO2=C2H3COCH3+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+HO2=CH3CO+C5H10-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+HO2=CH3COCH2+C4H8-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+HO2=CH2CH2COCH3+C3H6+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+HO2=C2H5COC2H3+C2H5+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+HO2=C2H5CO+C4H8-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-2+HO2=CH2CO+C5H11-1+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-3+HO2=C2H4+NC4H9CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-4+HO2=C2H4+NC3H7COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O1-5+HO2=C2H4+C2H5COC2H4P+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-3+HO2=CH3CHCO+PC4H9+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-4+HO2=C3H6+NC3H7CO+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-5+HO2=C3H6+C2H5COCH2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O2-6+HO2=CH3CHO+C5H91-4+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-4+HO2=C2H5CHCO+NC3H7+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14O3-5+HO2=C2H5CHO+C4H71-2+H2O2 +5.000E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OH-1=C7H14-1+OH +5.430E+14 -0.530 +27830.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 -1.042E+03 /
+O2C7H14OH-1=C7H14OH-1+O2 +2.983E+21 -1.980 +37820.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 0.000E+00 /
+O2C7H14OH-1=NC5H11CHO+CH2O+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OH-2=C7H14-2+OH +1.044E+16 -1.000 +29400.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 -1.042E+03 /
+O2C7H14OH-2=C7H14OH-2+O2 +4.775E+21 -2.060 +37860.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 0.000E+00 /
+O2C7H14OH-1=NC4H9CHO+CH3CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+C7H14OH-3=C7H14-3+OH +7.773E+15 -0.930 +29490.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 -1.042E+03 /
+O2C7H14OH-3=C7H14OH-3+O2 +4.775E+21 -2.060 +37860.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+12 0.00 0.000E+00 /
+O2C7H14OH-3=NC3H7CHO+C2H5CHO+OH +2.500E+10 +0.000 +18860.0 ! *:_:* LLNL *:_:*
+ REV/ 0.000E+00 0.00 0.000E+00 /
+NC5H11CHO+O2=NC5H11CO+HO2 +2.000E+13 +0.500 +42200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+07 0.00 4.000E+04 /
+NC5H11CHO+OH=NC5H11CO+H2O +2.690E+10 +0.760 -340.0 ! *:_:* LLNL *:_:*
+ REV/ 1.740E+10 0.76 3.120E+04 /
+NC5H11CHO+H=NC5H11CO+H2 +4.000E+13 +0.000 +4200.0 ! *:_:* LLNL *:_:*
+ REV/ 1.800E+13 0.00 2.400E+04 /
+NC5H11CHO+O=NC5H11CO+OH +5.000E+12 +0.000 +1790.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.900E+04 /
+NC5H11CHO+HO2=NC5H11CO+H2O2 +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+12 0.00 1.000E+04 /
+NC5H11CHO+CH3=NC5H11CO+CH4 +1.700E+12 +0.000 +8440.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+13 0.00 2.800E+04 /
+NC5H11CHO+CH3O=NC5H11CO+CH3OH +1.150E+11 +0.000 +1280.0 ! *:_:* LLNL *:_:*
+ REV/ 3.000E+11 0.00 1.800E+04 /
+NC5H11CHO+CH3O2=NC5H11CO+CH3O2H +1.000E+12 +0.000 +9500.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+10 0.00 1.000E+04 /
+NC5H11CHO+OH=C5H10CHO-1+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.071E+09 0.96 2.101E+04 /
+NC5H11CHO+OH=C5H10CHO-2+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.752E+06 1.85 2.388E+04 /
+NC5H11CHO+OH=C5H10CHO-3+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.752E+06 1.85 2.388E+04 /
+NC5H11CHO+OH=C5H10CHO-4+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.752E+06 1.85 2.388E+04 /
+NC5H11CHO+OH=C5H10CHO-5+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 3.317E+09 1.25 3.084E+04 /
+NC5H11CO=C5H11-1+CO +1.000E+11 +0.000 +9600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 0.000E+00 /
+NC5H11CHO+HO2=C5H10CHO-1+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.330E+04 2.22 4.442E+03 /
+NC5H11CHO+HO2=C5H10CHO-2+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.285E+03 2.51 6.362E+03 /
+NC5H11CHO+HO2=C5H10CHO-3+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.285E+03 2.51 6.362E+03 /
+NC5H11CHO+HO2=C5H10CHO-4+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.285E+03 2.51 6.362E+03 /
+NC5H11CHO+HO2=C5H10CHO-5+H2O2 +2.950E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.244E+07 1.91 1.332E+04 /
+NC5H11CHO+CH3O2=C5H10CHO-1+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.990E+13 -0.51 6.617E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+12 -0.26 8.784E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-3+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+12 -0.26 8.784E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-4+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.821E+12 -0.26 8.784E+03 /
+NC5H11CHO+CH3O2=C5H10CHO-5+CH3O2H +3.980E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 6.897E+15 -0.86 1.574E+04 /
+C5H10CHO-1=C2H4+C3H6CHO-1 +2.680E+18 -1.580 +30410.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+C5H10CHO-2=C3H6+CH2CH2CHO +9.380E+17 -1.310 +31970.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-3=C4H8-1+CH2CHO +6.270E+16 -1.430 +25990.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-3=C4H7CHO1-4+CH3 +2.373E+14 -0.560 +31320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-4=AC3H5CHO+C2H5 +7.188E+17 -1.370 +33230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-4=C5H10-1+HCO +1.057E+14 -0.410 +26330.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C5H10CHO-5=C2H3CHO+NC3H7 +1.564E+19 -1.530 +33310.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H7CHO1-4+OH=C4H7CO1-4+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 2.398E+12 -0.02 3.094E+04 /
+C4H7CHO1-4+OH=C4H6CHO1-43+H2O +2.080E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.187E+08 1.74 3.498E+04 /
+C4H7CHO1-4+OH=C4H6CHO1-44+H2O +4.670E+07 +1.610 -35.0 ! *:_:* LLNL *:_:*
+ REV/ 1.502E+09 1.31 2.890E+04 /
+C4H7CHO1-4+OH=CH3CHO+CH2CH2CHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 5.344E+06 0.97 1.926E+04 /
+C4H7CHO1-4+HO2=C4H7CO1-4+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 4.225E+12 -0.35 1.201E+04 /
+C4H7CHO1-4+HO2=C4H6CHO1-43+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 3.265E+06 2.01 1.773E+04 /
+C4H7CHO1-4+HO2=C4H6CHO1-44+H2O2 +1.475E+04 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.815E+06 1.97 1.138E+04 /
+C4H7CHO1-4+CH3O2=C4H7CO1-4+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 4.861E+13 -0.52 1.297E+04 /
+C4H7CHO1-4+CH3O2=C4H6CHO1-43+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.770E+15 -0.77 2.015E+04 /
+C4H7CHO1-4+CH3O2=C4H6CHO1-44+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.561E+15 -0.80 1.380E+04 /
+C4H7CO1-4=C4H71-4+CO +7.372E+18 -1.760 +15230.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 4.810E+03 /
+C4H6CHO1-43=C4H6+HCO +4.834E+15 -0.790 +33540.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+C4H6CHO1-44=C2H3CHO+C2H3 +2.118E+14 -0.390 +37160.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+NC4H9COCH3+OH=C4H8COCH3-1+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 4.278E+06 1.72 2.019E+04 /
+NC4H9COCH3+OH=C4H8COCH3-2+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 3.070E+05 2.04 2.163E+04 /
+NC4H9COCH3+OH=C4H8COCH3-3+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 3.070E+05 2.04 2.163E+04 /
+NC4H9COCH3+OH=C4H8COCH3-4+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 1.633E+13 -0.23 2.864E+04 /
+NC4H9COCH3+OH=NC4H9COCH2+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 6.786E+13 -0.70 2.768E+04 /
+NC4H9COCH3+HO2=C4H8COCH3-1+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 2.927E+04 2.21 4.462E+03 /
+NC4H9COCH3+HO2=C4H8COCH3-2+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.823E+11 0.07 8.112E+03 /
+NC4H9COCH3+HO2=C4H8COCH3-3+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 2.823E+11 0.07 8.112E+03 /
+NC4H9COCH3+HO2=C4H8COCH3-4+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 2.294E+13 -0.56 6.100E+03 /
+NC4H9COCH3+HO2=NC4H9COCH2+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 1.880E+07 1.52 9.712E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-1+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.521E+13 -0.51 6.627E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.123E+11 -0.11 6.744E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-3+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 4.123E+11 -0.11 6.744E+03 /
+NC4H9COCH3+CH3O2=C4H8COCH3-4+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 9.429E+14 -0.73 1.193E+04 /
+NC4H9COCH3+CH3O2=NC4H9COCH2+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 9.770E+15 -1.21 1.188E+04 /
+C4H8COCH3-1=CH2CH2COCH3+C2H4 +1.133E+18 -1.590 +30910.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C4H8COCH3-2=C3H6+CH3COCH2 +3.175E+15 -0.790 +26220.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C4H8COCH3-3=C4H8-1+CH3CO +1.714E+18 -1.610 +28250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.800E+03 /
+C4H8COCH3-4=C2H3COCH3+C2H5 +4.691E+19 -1.610 +33750.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+NC4H9COCH2=PC4H9+CH2CO +1.554E+18 -1.410 +43140.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.160E+04 /
+C4H7OOH1-4=C4H7O1-4+OH +2.021E+20 -1.530 +47040.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C5H9OOH1-4=C5H9O1-4+OH +1.178E+20 -1.380 +46050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C5H9OOH1-5=C5H9O1-5+OH +1.594E+20 -1.500 +46990.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C6H11OOH1-4=C6H11O1-4+OH +1.234E+20 -1.390 +46050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C6H11OOH1-5=C6H11O1-5+OH +1.234E+20 -1.390 +46050.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+13 0.00 0.000E+00 /
+C4H7O1-4=CH2O+C3H5-A +2.412E+16 -1.140 +7550.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.190E+04 /
+C5H9O1-4=CH3CHO+C3H5-A +7.715E+20 -2.430 +5890.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.00 9.600E+03 /
+C5H9O1-4=AC3H5CHO+CH3 +1.112E+17 -1.210 +17960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C5H9O1-5=CH2O+C4H71-4 +4.310E+17 -1.330 +17940.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-4=AC3H5CHO+C2H5 +7.268E+20 -2.100 +18870.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-4=C2H5CHO+C3H5-A +1.211E+21 -2.460 +5641.0 ! *:_:* LLNL *:_:*
+ REV/ 5.000E+10 0.00 9.600E+03 /
+C6H11O1-5=C4H7CHO1-4+CH3 +2.399E+17 -1.300 +16960.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C6H11O1-5=CH3CHO+C4H71-4 +1.999E+22 -2.580 +18530.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 9.600E+03 /
+C5H91-1=C2H2+NC3H7 +2.755E+15 -0.670 +30800.0 ! *:_:* LLNL *:_:*
+ REV/ 2.000E+11 0.00 7.800E+03 /
+C4H7CHO1-1+OH=C4H7CO1-1+H2O +3.370E+12 +0.000 -616.0 ! *:_:* LLNL *:_:*
+ REV/ 5.203E+12 0.03 3.680E+04 /
+C4H7CHO1-1+OH=C4H6CHO1-14+H2O +5.270E+09 +0.970 +1586.0 ! *:_:* LLNL *:_:*
+ REV/ 1.067E+09 0.96 2.102E+04 /
+C4H7CHO1-1+OH=C4H6CHO1-13+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+ REV/ 1.251E+08 1.79 3.493E+04 /
+C4H7CHO1-1+OH=C2H5CHO+CH2CHO +1.000E+11 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 1.076E+07 1.10 1.702E+04 /
+C4H7CHO1-1+HO2=C4H7CO1-1+H2O2 +1.000E+12 +0.000 +11920.0 ! *:_:* LLNL *:_:*
+ REV/ 9.165E+12 -0.30 1.787E+04 /
+C4H7CHO1-1+HO2=C4H6CHO1-14+H2O2 +2.760E+04 +2.550 +16480.0 ! *:_:* LLNL *:_:*
+ REV/ 3.317E+04 2.22 4.452E+03 /
+C4H7CHO1-1+HO2=C4H6CHO1-13+H2O2 +9.640E+03 +2.600 +13910.0 ! *:_:* LLNL *:_:*
+ REV/ 2.295E+06 2.06 1.768E+04 /
+C4H7CHO1-1+CH3O2=C4H7CO1-1+CH3O2H +2.800E+12 +0.000 +13600.0 ! *:_:* LLNL *:_:*
+ REV/ 1.055E+14 -0.47 1.883E+04 /
+C4H7CHO1-1+CH3O2=C4H6CHO1-14+CH3O2H +6.030E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 2.978E+13 -0.51 6.627E+03 /
+C4H7CHO1-1+CH3O2=C4H6CHO1-13+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 1.947E+15 -0.72 2.010E+04 /
+C4H7CO1-1=C4H71-1+CO +8.510E+20 -2.120 +40320.0 ! *:_:* LLNL *:_:*
+ REV/ 1.500E+11 0.00 4.810E+03 /
+C4H6CHO1-14=C2H4+CHCHCHO +9.050E+16 -1.330 +46870.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.140E+04 /
+C4H6CHO1-13=C4H6+HCO +8.954E+17 -1.280 +46230.0 ! *:_:* LLNL *:_:*
+ REV/ 8.000E+10 0.00 1.140E+04 /
+NC3H7COC2H5+OH=C3H6COC2H5-1+H2O +2.065E+07 +1.730 +753.0 ! *:_:* LLNL *:_:*
+ REV/ 5.173E+06 1.70 2.022E+04 /
+NC3H7COC2H5+OH=C3H6COC2H5-2+H2O +3.615E+07 +1.640 -247.0 ! *:_:* LLNL *:_:*
+ REV/ 7.233E+05 1.92 2.176E+04 /
+NC3H7COC2H5+OH=C3H6COC2H5-3+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 3.313E+13 -0.32 2.874E+04 /
+NC3H7COC2H5+OH=NC3H7COC2H4P+H2O +5.100E+11 +0.000 +1192.0 ! *:_:* LLNL *:_:*
+ REV/ 1.278E+11 -0.03 2.066E+04 /
+NC3H7COC2H5+OH=NC3H7COC2H4S+H2O +8.450E+11 +0.000 -228.0 ! *:_:* LLNL *:_:*
+ REV/ 3.313E+13 -0.32 2.874E+04 /
+NC3H7COC2H5+HO2=C3H6COC2H5-1+H2O2 +2.380E+04 +2.550 +16490.0 ! *:_:* LLNL *:_:*
+ REV/ 3.539E+04 2.19 4.492E+03 /
+NC3H7COC2H5+HO2=C3H6COC2H5-2+H2O2 +5.600E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+ REV/ 6.652E+11 -0.05 8.242E+03 /
+NC3H7COC2H5+HO2=C3H6COC2H5-3+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 4.654E+13 -0.65 6.200E+03 /
+NC3H7COC2H5+HO2=NC3H7COC2H4P+H2O2 +2.380E+04 +2.550 +14690.0 ! *:_:* LLNL *:_:*
+ REV/ 3.539E+04 2.19 2.692E+03 /
+NC3H7COC2H5+HO2=NC3H7COC2H4S+H2O2 +2.000E+11 +0.000 +8698.0 ! *:_:* LLNL *:_:*
+ REV/ 4.654E+13 -0.65 6.200E+03 /
+NC3H7COC2H5+CH3O2=C3H6COC2H5-1+CH3O2H +3.010E+12 +0.000 +19380.0 ! *:_:* LLNL *:_:*
+ REV/ 1.839E+13 -0.54 6.657E+03 /
+NC3H7COC2H5+CH3O2=C3H6COC2H5-2+CH3O2H +1.990E+12 +0.000 +17050.0 ! *:_:* LLNL *:_:*
+ REV/ 9.713E+11 -0.22 6.874E+03 /
+NC3H7COC2H5+CH3O2=C3H6COC2H5-3+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.913E+15 -0.83 1.203E+04 /
+NC3H7COC2H5+CH3O2=NC3H7COC2H4P+CH3O2H +3.010E+12 +0.000 +17580.0 ! *:_:* LLNL *:_:*
+ REV/ 1.839E+13 -0.54 4.862E+03 /
+NC3H7COC2H5+CH3O2=NC3H7COC2H4S+CH3O2H +2.000E+12 +0.000 +15250.0 ! *:_:* LLNL *:_:*
+ REV/ 1.913E+15 -0.83 1.203E+04 /
+C3H6COC2H5-1=C2H4+C2H5COCH2 +2.218E+15 -0.840 +23590.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+C3H6COC2H5-2=C3H6+C2H5CO +4.051E+16 -1.110 +26150.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 8.300E+03 /
+C3H6COC2H5-3=C2H5COC2H3+CH3 +2.915E+15 -0.680 +32300.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 7.800E+03 /
+NC3H7COC2H4P=NC3H7CO+C2H4 +5.398E+17 -1.450 +26040.0 ! *:_:* LLNL *:_:*
+ REV/ 2.500E+11 0.00 7.800E+03 /
+NC3H7COC2H4S=CH3CHCO+NC3H7 +1.973E+19 -1.490 +42860.0 ! *:_:* LLNL *:_:*
+ REV/ 1.000E+11 0.00 1.060E+04 /
+CHCHCHO+OH=CH2CHO+HCO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+ REV/ 2.719E+11 0.29 3.620E+04 /
+CY13PD=CY13PD5J+H +1.000E+15 +0.000 +78000.0 ! *:_:* LLNL *:_:*
+CY13PD+OH=AC3H4CH2CHO +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD+O=C4H6+CO +1.020E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+CY13PD+C3H3=CY13PD5J+C3H4-A +6.000E+12 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+CY13PD+C3H3=CY13PD5J+C3H4-P +6.000E+12 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+CY13PD+CYC5H5OJ=CY13PD5J+CYC5H5OH +1.000E+12 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CY13PD+H=CJCXCC#C+H2 +8.040E+05 +2.500 +12280.0 ! *:_:* LLNL *:_:*
+CJCXCC#C+HO2=OH+CO+NC4H5 +8.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+2CY13PD=DICYPD +1.000E+13 +0.000 +31250.0 ! *:_:* LLNL *:_:*
+2CY13PD5J=BICPDJ+H +2.000E+12 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+CY13PD+CY13PD5J=C10H10+H +3.220E+15 -1.370 +16710.0 ! *:_:* LLNL *:_:*
+CY13PD+NC4H5=CR3+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C3H3+CH3=C4H6 +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C2H3CHO=C2H3CO+CY13PD +1.000E+13 +0.000 +8843.0 ! *:_:* LLNL *:_:*
+CY13PD5J+HO2=CPDOOH +1.990E+68 -17.170 +19570.0 ! *:_:* LLNL *:_:*
+CY13PD5J+O2=OXCCXCCJCXO +2.110E+17 -2.250 +8390.0 ! *:_:* LLNL *:_:*
+HCO+CXCCXCXO=OXCCXCCJCXO +4.000E+11 +0.000 +4100.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C2H3=CPDCXC +4.820E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+OH=H2O+CH2CY24PD +1.630E+08 +1.420 +1451.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+CH3=CH4+CPDJCH3 +2.500E+11 +0.000 +5000.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+CH3=CH4+CH2CY24PD +2.500E+11 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+H=H2+CH2CY24PD +1.200E+14 +0.000 +8000.0 ! *:_:* LLNL *:_:*
+H+FULVENE=CH2CY24PD +6.250E+11 +0.510 +2620.0 ! *:_:* LLNL *:_:*
+CH3CY24PD+OH=H2O+CPDJCH3 +1.630E+08 +1.420 +1451.0 ! *:_:* LLNL *:_:*
+CPDJCH3=H+C6H6 +1.000E+14 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H6=CPDCXC+CH3 +1.490E+11 -0.060 +29790.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H4-P=STYR+H +1.490E+11 -0.060 +29790.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H4-A=STYR+H +1.490E+11 -0.060 +29790.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H3=STYR +2.000E+13 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+CYC6H7=C6H6+H +3.000E+13 +0.000 +28400.0 ! *:_:* LLNL *:_:*
+CYC6H7+H=C4H6+C2H2 +6.500E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC6H7=LINC6H7 +3.000E+13 +0.000 +46400.0 ! *:_:* LLNL *:_:*
+LINC6H7=NC4H5+C2H2 +5.500E+14 +0.000 +41000.0 ! *:_:* LLNL *:_:*
+CY13PD5J+O=CYC5H5OJ +3.200E-08 +4.710 -12990.0 ! *:_:* LLNL *:_:*
+BICPD+H=BICPDJ+H2 +1.300E+06 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+BICPD+H=C10H9+H2 +2.000E+05 +2.400 +4471.0 ! *:_:* LLNL *:_:*
+BICPD+O2=BICPDJ+HO2 +4.000E+13 +0.000 +37150.0 ! *:_:* LLNL *:_:*
+BICPD+OH=BICPDJ+H2O +3.120E+06 +2.000 -298.0 ! *:_:* LLNL *:_:*
+BICPD+O=BICPDJ+OH +6.030E+10 +0.700 +7633.0 ! *:_:* LLNL *:_:*
+BICPD+HO2=BICPDJ+H2O2 +4.000E+12 +0.000 +15900.0 ! *:_:* LLNL *:_:*
+BICPD+CH3=BICPDJ+CH4 +1.800E-01 +4.000 +0.0 ! *:_:* LLNL *:_:*
+BICPD+CY13PD5J=BICPDJ+CY13PD +7.900E+10 +0.000 +12400.0 ! *:_:* LLNL *:_:*
+BICPDJ=NAPH+H +1.000E+14 +0.000 +40000.0 ! *:_:* LLNL *:_:*
+BICPDJ+O2=NAPH+HO2 +3.000E+11 +0.000 +20000.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+O=C2H3CHO+C2H3 +2.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CXCCXCCJ+HO2=C2H3CHO+C2H3+OH +8.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CPDOOH=CYC5H5OJ+OH +2.000E+16 +0.000 +43000.0 ! *:_:* LLNL *:_:*
+CYPDONE+H=OXCJCXCCXC +1.600E+65 -14.940 +36980.0 ! *:_:* LLNL *:_:*
+CYPDONE+O=CJXCCXCXO+HCO +1.000E+13 +0.000 +2000.0 ! *:_:* LLNL *:_:*
+CYPDONE+OH=C3H4-A+HCO+CO +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CPDJONE+O2=CO2+CJXCCXCXO +9.670E+58 -13.470 +38180.0 ! *:_:* LLNL *:_:*
+NC4H5+CH2O=C4H6+HCO +5.420E+03 +2.810 +5860.0 ! *:_:* LLNL *:_:*
+C2H3+C4H4=C6H6+H +1.390E+16 -1.000 +8900.0 ! *:_:* LLNL *:_:*
+C4H4+O=HCCO+C2H3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H4+OH=CH2CO+C2H3 +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C4H4+C2H2=C6H6 +4.470E+11 +0.000 +30000.0 ! *:_:* LLNL *:_:*
+C2H3CHCHO+HO2=>HCOHCO+C2H3+OH +3.500E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+C2H3CHCHO+O2=C2H3CHO+OCHO +1.200E+36 -7.250 +33600.0 ! *:_:* LLNL *:_:*
+C2H2+HCCO=CJXCCXCXO +3.160E+11 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CXOCCCJCXO+O2=CXOCCCXO+OCHO +6.290E+05 +1.650 +17480.0 ! *:_:* LLNL *:_:*
+OXCCXCCXCJ+O2=OXCCXCCXO+HCO +5.420E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+OXCCXCCJCXO+O2=HCOHCO+CXOCJCXO +2.780E+08 -0.070 +13940.0 ! *:_:* LLNL *:_:*
+OXCCXCCJCXO+O2=OXCCXCCXO+OCHO +1.620E+09 -0.030 +18800.0 ! *:_:* LLNL *:_:*
+OXCCXCCJCXO+H=CXOCXCCJ+HCO +2.180E+58 -12.390 +33110.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+H=OXCCXCCJXO+H2 +2.640E+13 +0.000 +3300.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+O=OXCCXCCJXO+OH +1.190E+13 +0.000 +1868.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+OH=OXCCXCCJXO+H2O +1.850E+07 +1.500 -960.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+CH3=OXCCXCCJXO+CH4 +5.220E+06 +1.780 +5911.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+HO2=OXCCXCCJXO+H2O2 +6.020E+12 +0.000 +11930.0 ! *:_:* LLNL *:_:*
+OXCCXCCXO+CH3O2=OXCCXCCJXO+CH3O2H +6.020E+12 +0.000 +11930.0 ! *:_:* LLNL *:_:*
+CJXCCXO+CO=OXCCXCCJXO +1.510E+11 +0.000 +4810.0 ! *:_:* LLNL *:_:*
+CXOCXCCJ+O2=CH2O+CXOCJCXO +7.180E+49 -11.410 +39820.0 ! *:_:* LLNL *:_:*
+CXOCXCCJ+O=HCO+C2H3CHO +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CXCCCO2J=C3H5-A+CO2 +1.000E+13 +0.000 +6000.0 ! *:_:* LLNL *:_:*
+CH2CH2CHO+CO=CXOCCCJXO +1.500E+11 +0.000 +4800.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+OH=CJXCCXCXO+H2O +2.020E+13 +0.000 +5933.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+C6H5=CJXCCXCXO+C6H6 +2.020E+13 +0.000 +8933.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+O=C2H3CHO+CO +3.200E+13 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+CXCCXCXO+H=CXCCCJXO +1.690E+07 +1.030 -550.0 ! *:_:* LLNL *:_:*
+CXCCCJXO=CO+C3H5-A +6.120E+05 +0.920 -1120.0 ! *:_:* LLNL *:_:*
+CXOCCXO+O=CH2CHO+OCHO +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CXOCCXO+OH=>H2O+CH2CO+HCO +2.764E+04 +2.640 -1919.0 ! *:_:* LLNL *:_:*
+CXOCCXO+H=>H2+CH2CO+HCO +3.376E+05 +2.360 +207.0 ! *:_:* LLNL *:_:*
+CXOCCXO+HO2=>H2O2+CH2CO+HCO +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+CXOCCXO+O2=>HO2+CH2CO+HCO +2.000E+13 +0.000 +37190.0 ! *:_:* LLNL *:_:*
+CXOCJCXO+O2=HCOHCO+OCHO +4.120E+13 -0.460 +21710.0 ! *:_:* LLNL *:_:*
+CJXCCXO+O2=HCOHCO+HCO +5.420E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+DHCO2J=CO2+OCHO +3.000E+13 +0.000 +4000.0 ! *:_:* LLNL *:_:*
+2HCO=HCOHCO +6.000E+12 +0.000 -1000.0 ! *:_:* LLNL *:_:*
+HCOHCO+O2=HO2+HCOCJXO +8.070E+15 +0.000 +53420.0 ! *:_:* LLNL *:_:*
+HCOHCO+OH=H2O+HCOCJXO +3.430E+09 +1.180 -447.0 ! *:_:* LLNL *:_:*
+HCOHCO+O=OH+HCOCJXO +4.160E+11 +0.570 +2762.0 ! *:_:* LLNL *:_:*
+HCOHCO+H=H2+HCOCJXO +2.290E+10 +1.050 +3279.0 ! *:_:* LLNL *:_:*
+HCOCJXO+O2=OCHO+CO2 +7.270E+25 -3.970 +6890.0 ! *:_:* LLNL *:_:*
+HCOCJXO=CO+HCO +4.200E+12 +0.000 +10800.0 ! *:_:* LLNL *:_:*
+OCHO+O=OH+CO2 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+OCHO+OH=H2O+CO2 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC5H8+H=CYC5H9 +4.110E+47 -11.490 +8490.0 ! *:_:* LLNL *:_:*
+CYC5H8+H=C3H5-A+C2H4 +1.280E+27 -4.070 +11800.0 ! *:_:* LLNL *:_:*
+CYC5H8=CYC5H7U1+H +5.000E+15 +0.000 +84170.0 ! *:_:* LLNL *:_:*
+CYC5H7U1+H2=CYC5H8+H +1.080E+05 +2.380 +19000.0 ! *:_:* LLNL *:_:*
+CYC5H7U1=CXCCXCCJ +3.200E+15 +0.000 +39500.0 ! *:_:* LLNL *:_:*
+CYC5H4OH=CYPDONE+H +1.000E+13 +0.000 +47450.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+IC4H7=CR1 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CR1+H=CR2+H2 +3.160E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CR1+OH=CR2+H2O +7.000E+10 +1.000 -1100.0 ! *:_:* LLNL *:_:*
+CR1+O=CR2+OH +8.400E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+STYR+C3H5-T=CR2 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CY13PD5J+C3H3=C6H5C2H2+H +2.500E+12 +0.000 +6200.0 ! *:_:* LLNL *:_:*
+C6H5+C3H6=CR3+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+C3H6=STYR+CH3 +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+C3H6=CR4+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+IC4H8=CR3+CH3 +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5+IC4H8=CR5+H +2.168E+12 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+CH3+C6H5C2H2=CR3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5C2H+C2H3=NAPH+H +2.168E+12 +0.000 +5007.1 ! *:_:* LLNL *:_:*
+C6H5CH2J+C2H3=CR4 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+C3H5-T=CR5 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5C2H2+O2=C6H5CJO+CH2O +4.500E+16 -1.390 +1000.0 ! *:_:* LLNL *:_:*
+C6H5C2H2+C2H2=NAPH+H +2.168E+12 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+C3H4-A=C6H5CH3+C3H3 +2.000E+12 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C10H10+OH=C6H5OH+NC4H5 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H6=C6H5+H +5.500E+38 -6.180 +132000.0 ! *:_:* LLNL *:_:*
+C6H6+H=LINC6H7 +1.220E+22 -1.870 +31200.0 ! *:_:* LLNL *:_:*
+C6H6+O=C6H5OH +5.102E+13 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+C6H5O2+C6H5=2C6H5OJ +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5+O2=YOC6JDO +5.140E+39 -8.050 +28271.0 ! *:_:* LLNL *:_:*
+C6H5+O2=OC6H4O+H +3.000E+13 +0.000 +9000.0 ! *:_:* LLNL *:_:*
+C6JYOO=C6H5O2 +5.490E+80 -19.180 +75390.0 ! *:_:* LLNL *:_:*
+C6JYOO=YOC6JDO +1.510E+80 -19.210 +75405.0 ! *:_:* LLNL *:_:*
+CXCC(C#C)XC=FULVENE +4.900E+26 -4.140 +65420.0 ! *:_:* LLNL *:_:*
+CXCC(C#C)XC=C6H6 +2.820E+51 -10.680 +107000.0 ! *:_:* LLNL *:_:*
+CXCC(C#C)XC=C6H5+H +3.090E+43 -7.930 +118700.0 ! *:_:* LLNL *:_:*
+FULVENE+H=FULVENYL+H2 +3.030E+02 +3.300 +5690.0 ! *:_:* LLNL *:_:*
+FULVENE+OH=FULVENYL+H2O +1.630E+08 +1.420 +1454.0 ! *:_:* LLNL *:_:*
+FULVENYL+H=C6H5+H +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+FULVENYL+O2=CYPDONE+HCO +1.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+2C6H5=C12H10 +2.000E+19 -2.100 +2900.0 ! *:_:* LLNL *:_:*
+C6H5+C6H6=C12H10+H +3.980E+11 +0.000 +3993.7 ! *:_:* LLNL *:_:*
+C6H5OH+C2H3=C6H5OJ+C2H4 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OH+NC4H5=C6H5OJ+C4H6 +6.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H4OH+O2=OC6H4O+OH +3.000E+29 -4.720 +15600.0 ! *:_:* LLNL *:_:*
+C6H5OJ=CJCXCC#C+CO +5.000E+12 +0.000 +58000.0 ! *:_:* LLNL *:_:*
+C6H5OJ+H=C6H5OH +1.500E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OJ+HO2=RODC6JDO+OH +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5OJ+CH3O2=RODC6JDO+CH3O +2.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+RODC6JDO=OC6H4O+H +1.000E+14 +0.000 +29100.0 ! *:_:* LLNL *:_:*
+OC6H4O+H=>CO+C2H3CO+C2H2 +2.500E+13 +0.000 +4700.0 ! *:_:* LLNL *:_:*
+OC6H4O+O=>CO+HCCO+C2H3CO +2.480E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+ DUP
+OC6H4O+O=>CO+HCCO+C2H3CO +1.400E+13 +0.000 +14700.0 ! *:_:* LLNL *:_:*
+ DUP
+OC6H4O+OH=>HCO+C2H3CO+HCCO +1.000E+06 +2.000 +4000.0 ! *:_:* LLNL *:_:*
+C6H5(+M)=C6H4+H(+M) +4.300E+12 +0.600 +77300.0 ! *:_:* LLNL *:_:*
+ LOW / 1.00E+84 -18.87 90100.0/
+ TROE/ 0.902 696.0 358.0 3856.0/
+C4H2+C2H2=C6H4 +1.400E+07 +1.400 +25410.0 ! *:_:* LLNL *:_:*
+YOC6JDO=RODC6JDO +1.000E+13 +0.000 +24000.0 ! *:_:* LLNL *:_:*
+C6H5+OH=C6H5OH +3.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5+O=CJCXCC#C+CO +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC6H7+O2=C6H6+HO2 +7.900E+11 +0.000 +9900.0 ! *:_:* LLNL *:_:*
+CYC6H7+H=C6H6+H2 +3.300E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+CYC6H7+OH=C6H6+H2O +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+OXCCXCCXCJ+CO=RODC6JDO +1.510E+11 +0.000 +4810.0 ! *:_:* LLNL *:_:*
+CYPDONE+HCO=RODC6JDO +4.000E+11 +0.000 +4100.0 ! *:_:* LLNL *:_:*
+C6H5CH3=C6H5+CH3 +2.660E+16 +0.000 +97830.4 ! *:_:* LLNL *:_:*
+C6H5CH3=C6H5CH2J+H +1.090E+15 +0.000 +87463.4 ! *:_:* LLNL *:_:*
+C6H5OH+CH3=C6H5CH3+OH +4.000E+11 +0.000 +7700.0 ! *:_:* LLNL *:_:*
+C6H5CH3+CH3O2=C6H5CH2J+CH3O2H +1.020E+04 +2.500 +12339.3 ! *:_:* LLNL *:_:*
+C6H5CH3+CH3O=C6H5CH2J+CH3OH +2.120E+10 +0.000 +3000.0 ! *:_:* LLNL *:_:*
+C3H4-A+NC4H3=C6H5CH2J +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+O2=C6H5CH2OOJ +1.382E+41 -9.440 +9020.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ=C6H5CHO+OH +4.000E+76 -19.960 +64725.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ=C6H5OJ+CH2O +1.700E+76 -19.960 +64725.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ+HO2=>C6H5CH2OJ+OH+O2 +6.300E+10 +0.000 -720.0 ! *:_:* LLNL *:_:*
+C6H5CH2OOJ+CH3O2=>C6H5CH2OJ+CH3O+O2 +6.300E+10 +0.000 -720.0 ! *:_:* LLNL *:_:*
+C6H5CH2J+CH3O2=C6H5CH2OJ+CH3O +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+OH=C6H5OH+CH2OH +2.610E+14 -0.670 +1710.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+OH=C6H5CH2OJ+H2O +3.900E+09 +1.000 -1100.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+O=C6H5OJ+CH2OH +1.700E+13 +0.000 +3600.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+O=C6H5CH2OJ+OH +4.200E+11 +0.000 -2000.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH+HO2=C6H5CH2OJ+H2O2 +2.700E+11 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH=C6H5CH2OJ+H +5.000E+13 +0.000 +104069.0 ! *:_:* LLNL *:_:*
+C6H5CH2OH=C6H5+CH2OH +5.000E+13 +0.000 +101225.0 ! *:_:* LLNL *:_:*
+C6H5CHOH+O2=C6H5CHO+HO2 +3.810E+06 +2.000 +1641.0 ! *:_:* LLNL *:_:*
+C6H5CHOH+H=C6H5CH2OH +1.000E+14 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CHOH+OH=C6H5CHO+H2O +3.440E+09 +1.180 -447.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+H=C6H5CHO+H2 +4.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+OH=C6H5CHO+H2O +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+HO2=C6H5CHO+H2O2 +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+CH3=C6H5CHO+CH4 +2.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH2OJ+C6H5CH2J=C6H5CHO+C6H5CH3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5+HCO=C6H5CHO +5.000E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CJO+HO2=C6H5+CO2+OH +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5C2H4P+H=C6H5C2H5 +3.610E+13 +0.000 +83600.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+H=C6H6+C2H5 +9.500E+05 +2.000 +943.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+CH3O2=C6H5C2H4P+CH3O2H +6.930E-01 +3.970 +18280.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+CH3O2=C6H5C2H4S+CH3O2H +4.820E+03 +2.550 +10530.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+C6H5CH2OOJ=C6H5C2H4P+C6H5CH2OOH +1.020E+03 +2.500 +19539.0 ! *:_:* LLNL *:_:*
+C6H5C2H5+C6H5CH2OOJ=C6H5C2H4S+C6H5CH2OOH +6.800E+02 +2.500 +12339.0 ! *:_:* LLNL *:_:*
+C6H5C2H4S+HO2=OH+CH3CHO+C6H5 +9.640E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C14H14=STYLBEN+H2 +5.000E+12 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+STYLBEN=PHENA+H2 +5.000E+12 +0.000 +60000.0 ! *:_:* LLNL *:_:*
+C14H14+O=C6H5CH2J+C6H6+CO+H +4.960E+14 -0.340 +4674.0 ! *:_:* LLNL *:_:*
+STYR+C6H5=C14H13 +2.000E+11 +0.000 +7800.0 ! *:_:* LLNL *:_:*
+C14H13OO=STYLBEN+HO2 +1.040E+38 -8.110 +37500.0 ! *:_:* LLNL *:_:*
+C6H5CH2J=>C7H6+H +8.770E+34 -5.845 +96390.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O2=>O2C6H4CH3 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=>C6H4CH3+O2 +6.360E+19 -1.370 +48700.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O2=OC6H4CH2+OH +4.350E+23 -3.360 +8980.0 ! *:_:* LLNL *:_:*
+C6H4CH3+O2=RODC6J(C)DO +1.024E+25 -3.540 +8780.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=>OC6H4CH3+O +1.640E+43 -8.820 +50880.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=OC6H4CH2+OH +5.350E+43 -9.500 +43440.0 ! *:_:* LLNL *:_:*
+O2C6H4CH3=RODC6J(C)DO +6.640E+46 -10.160 +44320.0 ! *:_:* LLNL *:_:*
+OC6H4CH2=C6H6+CO +6.310E+14 +0.000 +67160.0 ! *:_:* LLNL *:_:*
+OC6H4CH3+HO2=OC6H4O+CH3+OH +7.600E+11 +0.000 +43800.0 ! *:_:* LLNL *:_:*
+HOC6H4CH3+C6H4CH3=HOC6H4CH2+C6H5CH3 +7.900E+13 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+HOC6H4CH2O=C6H4OH+CH2O +2.000E+13 +0.000 +27500.0 ! *:_:* LLNL *:_:*
+C6H4CH3+CH3=XYLENE +1.200E+06 +1.960 -3700.0 ! *:_:* LLNL *:_:*
+C2H+CY13PD5J=C7H6 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+NC4H3+C3H3=C7H6 +1.000E+13 +0.000 +0.0 ! *:_:* LLNL *:_:*
+STYR+O=C6H5+CH2CHO +3.000E+08 +1.450 +900.0 ! *:_:* LLNL *:_:*
+STYR+OH=C6H5CH2J+CH2O +1.400E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+STYR+OH=C6H5CHO+CH3 +2.800E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H6+C2H3=STYR+H +5.000E+12 +0.000 +7000.0 ! *:_:* LLNL *:_:*
+PHCCHPH=PHENA+H +3.000E+13 +0.000 +28890.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC+CO=RODC6J(C)DO +1.510E+11 +0.000 +4810.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC=>C2H2+HCO+C3H4-P +3.000E+13 +0.000 +43710.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC=>C2H2+CO+C3H5-S +1.370E+21 -2.179 +39410.0 ! *:_:* LLNL *:_:*
+OCCXCCXCJC+O2=OXCCXCCXO+CH3CO +5.420E+12 +0.000 +0.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-3=C6H5CH2J+C6H12-1 +1.000E+13 +0.000 +12000.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-4=C6H5CH2J+C6H12-1 +5.000E+12 +0.000 +10800.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-5=C6H5CH2J+C6H12-1 +5.000E+12 +0.000 +10800.0 ! *:_:* LLNL *:_:*
+C6H5CH3+C6H111-6=C6H5CH2J+C6H12-1 +5.000E+12 +0.000 +9800.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-3=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +11500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-4=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +7500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-5=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +7500.0 ! *:_:* LLNL *:_:*
+C6H5CHO+C6H111-6=C6H5CJO+C6H12-1 +1.600E+12 +0.000 +6500.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+AC8H17 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+BC8H17 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+CC8H17 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-1=NC7H16+DC8H17 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-2=NC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-3=NC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+C7H15-4=NC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+AC8H17 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+BC8H17 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+CC8H17 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15=C7H16-24+DC8H17 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15=C7H16-24+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15=C7H16-24+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+AC8H17 +1.500E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+BC8H17 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+CC8H17 +1.000E+11 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15=NEOC7H16+DC8H17 +1.000E+11 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+NC7H16=AC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+NC7H16=BC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+NC7H16=CC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-1 +1.210E+13 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-2 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-3 +8.060E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+NC7H16=DC8H17O2H+C7H15-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=AC8H17+C7H15O2H-1 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=AC8H17+C7H15O2H-2 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=AC8H17+C7H15O2H-3 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=AC8H17+C7H15O2H-4 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=BC8H17+C7H15O2H-1 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=BC8H17+C7H15O2H-2 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=BC8H17+C7H15O2H-3 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=BC8H17+C7H15O2H-4 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=CC8H17+C7H15O2H-1 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=CC8H17+C7H15O2H-2 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=CC8H17+C7H15O2H-3 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=CC8H17+C7H15O2H-4 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+IC8H18=DC8H17+C7H15O2H-1 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+IC8H18=DC8H17+C7H15O2H-2 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+IC8H18=DC8H17+C7H15O2H-3 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+IC8H18=DC8H17+C7H15O2H-4 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=AC8H17+XC7H15O2H +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=AC8H17+YC7H15O2H +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=AC8H17+ZC7H15O2H +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=BC8H17+XC7H15O2H +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=BC8H17+YC7H15O2H +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=BC8H17+ZC7H15O2H +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=CC8H17+XC7H15O2H +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=CC8H17+YC7H15O2H +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=CC8H17+ZC7H15O2H +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+XC7H15O2=DC8H17+XC7H15O2H +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+YC7H15O2=DC8H17+YC7H15O2H +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+ZC7H15O2=DC8H17+ZC7H15O2H +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+AC8H17 +2.520E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+BC8H17 +5.600E+12 +0.000 +17690.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+CC8H17 +2.800E+12 +0.000 +16100.0 ! *:_:* LLNL *:_:*
+IC8H18+NC7H15O2=NC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+OC7H15O2=OC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+PC7H15O2=PC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+IC8H18+QC7H15O2=QC7H15O2H+DC8H17 +1.680E+13 +0.000 +20440.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C7H16-24=AC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C7H16-24=AC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C7H16-24=AC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C7H16-24=BC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C7H16-24=BC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C7H16-24=BC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C7H16-24=CC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C7H16-24=CC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C7H16-24=CC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C7H16-24=DC8H17O2H+XC7H15 +6.300E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C7H16-24=DC8H17O2H+YC7H15 +6.300E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C7H16-24=DC8H17O2H+ZC7H15 +6.300E+13 +0.000 +16500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=NC7H15+AC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=NC7H15+BC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=NC7H15+CC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=NC7H15+DC8H17O2H +1.170E+14 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=OC7H15+AC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=OC7H15+BC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=OC7H15+CC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=OC7H15+DC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=PC7H15+AC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=PC7H15+BC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=PC7H15+CC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=PC7H15+DC8H17O2H +2.600E+13 +0.000 +15500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+AC8H17O2=QC7H15+AC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+BC8H17O2=QC7H15+BC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+CC8H17O2=QC7H15+CC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+NEOC7H16+DC8H17O2=QC7H15+DC8H17O2H +3.900E+13 +0.000 +17500.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H12-1=NC7H16+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +11400.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +11900.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +14400.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +17400.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-3 +7.000E+10 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-4 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-5 +5.000E+10 +0.000 +10400.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H12-1=IC8H18+C6H111-6 +5.000E+10 +0.000 +13400.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+AC8H17O2+C6H12-1=AC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+BC8H17O2+C6H12-1=BC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+CC8H17O2+C6H12-1=CC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-6 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-4 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-5 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+DC8H17O2+C6H12-1=DC8H17O2H+C6H111-3 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-1+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-2+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-3+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-6+C7H15O2H-1 +6.050E+12 +0.000 +20430.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-4+C7H15O2H-2 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-5+C7H15O2H-3 +4.030E+12 +0.000 +17700.0 ! *:_:* LLNL *:_:*
+C7H15O2-4+C6H12-1=C6H111-3+C7H15O2H-4 +2.010E+12 +0.000 +13700.0 ! *:_:* LLNL *:_:*
+C7H15-1+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+C7H15-2+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-3+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+C7H15-4+C6H5CH3=NC7H16+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+AC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+BC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +8900.0 ! *:_:* LLNL *:_:*
+CC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +11900.0 ! *:_:* LLNL *:_:*
+DC8H17+C6H5CH3=IC8H18+C6H5CH2J +7.000E+12 +0.000 +7900.0 ! *:_:* LLNL *:_:*
+END
\ No newline at end of file
diff --git a/Exemple/Results full merging/new_model_TIRAMISU_n.therm b/Exemple/Results full merging/new_model_TIRAMISU_n.therm
new file mode 100644
index 0000000000000000000000000000000000000000..85b62361df94b8bdeb7581008beed4339cf5fc19
--- /dev/null
+++ b/Exemple/Results full merging/new_model_TIRAMISU_n.therm
@@ -0,0 +1,6309 @@
+!
+! n=10000 kinetics and thermodynamics retained from AA
+! 03/05/2024
+!n
+THERMO
+ 300.000 1000.000 5000.000
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! AA THERMO !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+C6H5CH2CH2OO C 8O 2H 9 G 300.00 5000.00 1392.00 1
++2.32195676E+01+2.60543894E-02-9.06848696E-06+1.42450939E-09-8.33254784E-14 2
+-9.30560896E+02-9.41996431E+01-2.97717571E+00+9.09238597E-02-7.22332479E-05 3
++3.00778320E-08-5.14215828E-12+7.87040761E+03+4.53100220E+01 4
+C6H5CHOOCH3 C 8O 2H 9 G 300.00 5000.00 1391.00 1
++2.39389417E+01+2.55802179E-02-8.93645471E-06+1.40728440E-09-8.24626131E-14 2
+-2.90483393E+03-9.84083931E+01-4.15080808E+00+9.63086315E-02-7.90361848E-05 3
++3.37293640E-08-5.86581277E-12+6.40361986E+03+5.07485305E+01 4
+FULVENE H 6C 6 G 200.00 6000.00 1000.00 1
++1.14345282E+01+1.99371432E-02-7.13567060E-06+1.14951842E-09-6.87263886E-14 2
++2.04411455E+04-3.86799524E+01+5.09714763E-01+2.58195980E-02+5.06504954E-05 3
+-9.32593825E-08+4.15963672E-11+2.44318827E+04+2.30638077E+01 4
+NAPH C 10H 8 G 300.00 5000.00 1400.00 1
++2.35897511E+01+2.43823788E-02-8.47570474E-06+1.33051182E-09-7.77992813E-14 2
++6.53423379E+03-1.12133982E+02-8.84119851E+00+1.09328196E-01-9.50844165E-05 3
++4.18320252E-08-7.33414017E-12+1.68163789E+04+5.86791942E+01 4
+C6H5CH2J H 7C 7 G 250.00 6000.00 1000.00 1
++1.47230520E+01+2.30342440E-02-8.48473590E-06+1.39169620E-09-8.42479670E-14 2
++1.79901890E+04-5.59509890E+01-1.23038360E+00+4.89863760E-02+1.38155180E-05 3
+-6.25872330E-08+3.15957310E-11+2.31928770E+04+3.05554950E+01 4
+C3H2 H 2C 3 G 200.00 6000.00 1000.00 1
++6.67324762E+00+5.57728845E-03-1.99180164E-06+3.20289156E-10-1.91216272E-14 2
++7.57571184E+04-9.72894405E+00+2.43417332E+00+1.73013063E-02-1.18294047E-05 3
++1.02756396E-09+1.62626314E-12+7.69074892E+04+1.21012230E+01 4
+C3H2(S) H 2C 3 G 300.00 4000.00 1400.00 1
++8.35131100E+00+2.67227700E-03-2.12940400E-07-1.47821810E-10+2.58368900E-14 2
++6.80069000E+04-1.95088400E+01+4.74947500E+00+8.52022900E-03-1.16026750E-06 3
+-2.49495400E-09+9.92100400E-13+6.93997900E+04+5.43779200E-01 4
+O-C6H4 H 4C 6 G 300.00 3000.00 1000.00 1
++2.98618725E+00+3.37637843E-02-2.00238391E-05+5.63853682E-09-6.10004145E-13 2
++5.12231321E+04+7.44533121E+00-3.46229657E+00+5.74016575E-02-4.92984369E-05 3
++1.90680483E-08-1.95430709E-12+5.25223614E+04+3.88488771E+01 4
+C6H5CH3 H 8C 7 G 200.00 6000.00 1000.00 1
++1.29400340E+01+2.66912870E-02-9.68385050E-06+1.57386290E-09-9.46636010E-14 2
+-6.97649080E+02-4.67287850E+01+1.61526630E+00+2.10994380E-02+8.53660180E-05 3
+-1.32610660E-07+5.59566040E-11+4.07563000E+03+2.02822100E+01 4
+C6H4CH3 H 7C 7 G 300.00 5000.00 1392.00 1
++1.51868807E+01+2.07534924E-02-7.18581880E-06+1.12478745E-09-6.56301043E-14 2
++2.87394118E+04-5.74266771E+01-2.84709387E+00+6.34053501E-02-4.64583503E-05 3
++1.79160616E-08-2.87030132E-12+3.49999521E+04+3.93252209E+01 4
+OC6H4CH3 O 1H 7C 7 G 300.00 5000.00 1397.00 1
++2.01201234E+01+1.92615275E-02-6.70631566E-06+1.05375828E-09-6.16537629E-14 2
+-6.25384510E+03-8.37677746E+01-4.86830769E+00+8.65534607E-02-7.79033413E-05 3
++3.57350223E-08-6.52685773E-12+1.55181196E+03+4.73058730E+01 4
+HOC6H4CH3 H 8O 1C 7 G 300.00 5000.00 1401.00 1
++2.09408940E+01+2.04158480E-02-7.04323518E-06+1.09988219E-09-6.40750543E-14 2
+-2.53662901E+04-8.94615089E+01-5.82611270E+00+9.52301991E-02-8.89715399E-05 3
++4.21339354E-08-7.87119970E-12-1.72848417E+04+4.99599069E+01 4
+C6H5CH2OOJ O 2H 7C 7 G 300.00 5000.00 1389.00 1
++2.18946260E+01+2.02701494E-02-7.14525361E-06+1.13208570E-09-6.66220534E-14 2
++3.93272947E+03-8.95685129E+01-3.77863659E+00+8.29484718E-02-6.64288143E-05 3
++2.69504875E-08-4.41844689E-12+1.25603231E+04+4.73269747E+01 4
+C6H5CH2OOH H 8O 2C 7 G 300.00 5000.00 1390.00 1
++2.21951256E+01+2.19901041E-02-7.70452728E-06+1.21574282E-09-7.13427270E-14 2
+-1.43966742E+04-9.07483698E+01-3.39515159E+00+8.45306884E-02-6.70634097E-05 3
++2.72113250E-08-4.48289693E-12-5.78730853E+03+4.57078979E+01 4
+C6H5CH2OJ O 1H 7C 7 G 300.00 5000.00 1392.00 1
++1.78843033E+01+2.09011735E-02-7.21832713E-06+1.12839851E-09-6.57955260E-14 2
++4.93182818E+03-7.01304667E+01-4.77736690E+00+7.51049308E-02-5.68532831E-05 3
++2.18290029E-08-3.38134298E-12+1.26234438E+04+5.10429366E+01 4
+HOC6H4CH2 O 1H 7C 7 G 300.00 5000.00 1402.00 1
++2.17284618E+01+1.76293589E-02-6.08300560E-06+9.50072743E-10-5.53543698E-14 2
+-6.69606412E+03-9.33418136E+01-5.63197903E+00+9.80964869E-02-9.82672860E-05 3
++4.87967928E-08-9.40191047E-12+1.17027222E+03+4.77626938E+01 4
+C6H5CHO O 1C 7H 6 G 300.00 5000.00 1386.00 1
++1.74024893E+01+1.89508317E-02-6.58694307E-06+1.03413046E-09-6.04793155E-14 2
+-1.31418522E+04-6.83371315E+01-2.37082285E+00+6.28843128E-02-4.26460754E-05 3
++1.39416083E-08-1.74474949E-12-6.11656186E+03+3.85478773E+01 4
+C6H5CH2OH H 8O 1C 7 G 300.00 5000.00 1396.00 1
++1.81575155E+01+2.26620146E-02-7.79454113E-06+1.21491074E-09-7.06883434E-14 2
+-2.13319736E+04-7.19512787E+01-3.72475901E+00+7.42375044E-02-5.41481788E-05 3
++2.01178934E-08-3.02199053E-12-1.38224993E+04+4.53342817E+01 4
+C6H5C2H5 C 8H 10 G 300.00 5000.00 1396.00 1
++2.02158866E+01+2.57181400E-02-8.78778587E-06+1.36387819E-09-7.91252430E-14 2
+-6.87601990E+03-8.53188987E+01-5.70126210E+00+8.90606644E-02-6.84365242E-05 3
++2.70624855E-08-4.33907755E-12+1.79229957E+03+5.27926555E+01 4
+C14H14 C 14H 14 G 300.00 5000.00 1397.00 1
++3.45703166E+01+3.81757891E-02-1.30119616E-05+2.01694176E-09-1.16936941E-13 2
+-1.18127204E+02-1.59744284E+02-1.13836981E+01+1.53953882E-01-1.25354767E-04 3
++5.17441987E-08-8.54872684E-12+1.48227672E+04+8.37777034E+01 4
+C14H13 H 13C 14 G 300.00 5000.00 1396.00 1
++3.47417341E+01+3.59337719E-02-1.22450631E-05+1.89794621E-09-1.10038037E-13 2
++1.74795959E+04-1.61420726E+02-9.29192717E+00+1.47032767E-01-1.20211860E-04 3
++4.97625178E-08-8.23851673E-12+3.17775915E+04+7.18644702E+01 4
+STYLBEN C 14H 12 G 300.00 5000.00 1397.00 1
++3.32102692E+01+3.56298722E-02-1.23336159E-05+1.93073037E-09-1.12678018E-13 2
++1.27147671E+04-1.53412616E+02-9.31596441E+00+1.44390141E-01-1.20631407E-04 3
++5.15297757E-08-8.85124801E-12+2.64875194E+04+7.15504888E+01 4
+PHCCHPH H 11C 14 G 300.00 5000.00 1395.00 1
++3.27609182E+01+3.39480669E-02-1.17667240E-05+1.84362057E-09-1.07661574E-13 2
++2.92915217E+04-1.51883228E+02-6.70772425E+00+1.32788823E-01-1.07842007E-04 3
++4.47787253E-08-7.50278981E-12+4.22802338E+04+5.76442987E+01 4
+C6H5CJO H 5O 1C 7 G 300.00 5000.00 1392.00 1
++1.75116258E+01+1.62650511E-02-5.65051892E-06+8.86922680E-10-5.18657990E-14 2
++4.67641545E+03-6.70531966E+01-1.56729686E+00+5.99817511E-02-4.29153585E-05 3
++1.48666854E-08-1.98938453E-12+1.12873830E+04+3.55490009E+01 4
+C14H13OO H 13C 14O 2 G 300.00 5000.00 1394.00 1
++3.76701265E+01+3.91886728E-02-1.36838688E-05+2.15430957E-09-1.26216113E-13 2
++4.38748283E+03-1.69872607E+02-9.53800906E+00+1.60095043E-01-1.34982895E-04 3
++5.84090458E-08-1.01919995E-11+1.97390228E+04+7.99308597E+01 4
+C14H12OOH H 13C 14O 2 G 300.00 5000.00 1394.00 1
++4.02968908E+01+3.71210431E-02-1.30088643E-05+2.05309245E-09-1.20495552E-13 2
++3.67900543E+03-1.86479334E+02-8.32529422E+00+1.61762848E-01-1.37724101E-04 3
++5.95672829E-08-1.03363053E-11+1.94259748E+04+7.06782085E+01 4
+C14H13O H 13C 14O 1 G 300.00 5000.00 1397.00 1
++3.62205336E+01+3.75634484E-02-1.29678295E-05+2.02688785E-09-1.18180078E-13 2
++5.74597621E+03-1.65590808E+02-1.19190739E+01+1.59861239E-01-1.33105430E-04 3
++5.60228564E-08-9.42896323E-12+2.13328544E+04+8.92151705E+01 4
+C14H13OOH C 14H 14O 2 G 300.00 5000.00 1395.00 1
++4.01427062E+01+3.93395367E-02-1.37664348E-05+2.17056135E-09-1.27304368E-13 2
+-1.39277882E+04-1.84904308E+02-1.04261530E+01+1.68709899E-01-1.42892982E-04 3
++6.15601039E-08-1.06485940E-11+2.47291567E+03+8.26365480E+01 4
+C14H12O2H-1O2 H 13C 14O 4 G 300.00 5000.00 1391.00 1
++4.48785960E+01+3.75685709E-02-1.32824040E-05+2.10858085E-09-1.24255944E-13 2
+-9.97231472E+03-2.04041648E+02-9.40646930E+00+1.77878119E-01-1.55260847E-04 3
++6.84418245E-08-1.20655066E-11+7.52457116E+03+8.27128410E+01 4
+C14H11O-1O2H C 14H 12O 3 G 300.00 5000.00 1393.00 1
++4.03057402E+01+3.72594407E-02-1.30902950E-05+2.06942373E-09-1.21596482E-13 2
+-2.78034193E+04-1.82398868E+02-7.77794671E+00+1.57347464E-01-1.29564931E-04 3
++5.40605490E-08-9.07699935E-12-1.19364337E+04+7.29984559E+01 4
+HOC6H4CH2OO O 3H 7C 7 G 300.00 5000.00 1399.00 1
++2.44885871E+01+1.96975788E-02-6.83424042E-06+1.07136180E-09-6.25824039E-14 2
+-1.85023219E+04-1.00503843E+02-3.30404252E+00+9.78488428E-02-9.29726683E-05 3
++4.44795179E-08-8.36613586E-12-1.01504226E+04+4.41069184E+01 4
+HOC6H4CH2O O 2H 7C 7 G 300.00 5000.00 1404.00 1
++2.27674826E+01+1.87580416E-02-6.44936609E-06+1.00501306E-09-5.84671446E-14 2
+-1.70289222E+04-9.48170837E+01-4.96646915E+00+9.69128605E-02-9.21049352E-05 3
++4.37042315E-08-8.11979451E-12-8.78398897E+03+4.93062368E+01 4
+HOC6H4CH2OOH H 8O 3C 7 G 300.00 5000.00 1400.00 1
++2.69433208E+01+1.98821379E-02-6.93248136E-06+1.09047819E-09-6.38542299E-14 2
+-3.68197020E+04-1.15455122E+02-4.27079330E+00+1.06702301E-01-1.01178433E-04 3
++4.78041859E-08-8.86088235E-12-2.74014110E+04+4.72010210E+01 4
+HOC6H4CHO O 2C 7H 6 G 300.00 5000.00 1406.00 1
++2.37586619E+01+1.47270064E-02-4.93265699E-06+7.56306242E-10-4.35377695E-14 2
+-3.62468602E+04-1.01187561E+02-4.84031481E+00+9.73663695E-02-9.68302168E-05 3
++4.68381956E-08-8.74560771E-12-2.80359046E+04+4.65623414E+01 4
+C6H5CHOH O 1H 7C 7 G 300.00 5000.00 1387.00 1
++1.78569190E+01+2.09573785E-02-7.24304900E-06+1.13265871E-09-6.60549919E-14 2
+-4.17588783E+03-7.06626700E+01-8.38120574E-01+6.14070680E-02-3.92598636E-05 3
++1.20153611E-08-1.37758038E-12+2.60021186E+03+3.08209316E+01 4
+C6H5C2H4S C 8H 9 G 300.00 5000.00 1395.00 1
++2.03767475E+01+2.34923061E-02-8.02742753E-06+1.24595589E-09-7.22895395E-14 2
++1.07287463E+04-8.69308644E+01-3.62245458E+00+8.22327387E-02-6.34562719E-05 3
++2.51893798E-08-4.05353192E-12+1.87480811E+04+4.09318172E+01 4
+C6H5C2H4P C 8H 9 G 300.00 5000.00 1397.00 1
++1.97367479E+01+2.34359910E-02-7.88460514E-06+1.21151657E-09-6.98141943E-14 2
++1.82775793E+04-7.90373183E+01-5.03883577E+00+8.49439879E-02-6.65114973E-05 3
++2.66531641E-08-4.29645325E-12+2.64218438E+04+5.25744447E+01 4
+STYR C 8H 8 G 300.00 3000.00 1000.00 1
++1.13032130E+01+3.37098870E-02-1.32088850E-05+2.11409620E-09-8.73113770E-14 2
++1.17253880E+04-3.47379190E+01-3.86784930E+00+6.79478650E-02-2.52303330E-05 3
+-1.80171450E-08+1.29984700E-11+1.62002690E+04+4.52717700E+01 4
+HOC6H4CO H 5O 2C 7 G 300.00 5000.00 1407.00 1
++2.36196074E+01+1.29565163E-02-4.36676042E-06+6.72106801E-10-3.87861042E-14 2
+-1.85293338E+04-1.01120435E+02-2.64255595E+00+9.00208969E-02-9.13086471E-05 3
++4.48102851E-08-8.45769190E-12-1.10970627E+04+3.41553760E+01 4
+C6H5CCH2 C 8H 7 G 300.00 5000.00 1387.00 1
++1.92154972E+01+2.02185937E-02-7.07970746E-06+1.11666465E-09-6.55073301E-14 2
++2.44567929E+04-8.09621525E+01-1.75677703E+00+6.93776528E-02-5.15140526E-05 3
++1.96075933E-08-3.05640961E-12+3.17432364E+04+3.16482133E+01 4
+C6H5C2H2 C 8H 7 G 300.00 5000.00 1397.00 1
++1.90927875E+01+1.98909822E-02-6.86981799E-06+1.07370754E-09-6.25902921E-14 2
++3.82661147E+04-7.72000251E+01-3.64383962E+00+7.85604460E-02-6.60358335E-05 3
++2.85738243E-08-4.98068485E-12+4.55975302E+04+4.29246209E+01 4
+CH3CY24PD H 8C 6 G 300.00 5000.00 1399.00 1
++1.58460057E+01+2.00902785E-02-6.93497016E-06+1.08339840E-09-6.31318908E-14 2
++3.42821098E+03-6.44405101E+01-6.05214392E+00+7.63737263E-02-6.34619690E-05 3
++2.72515023E-08-4.72538827E-12+1.05143031E+04+5.13368383E+01 4
+IND H 8C 9 G 300.00 5000.00 1398.00 1
++2.05650080E+01+2.40327712E-02-8.27638045E-06+1.29145387E-09-7.52114721E-14 2
++9.12366072E+03-8.95735971E+01-7.28231243E+00+9.11988088E-02-6.98829415E-05 3
++2.68064158E-08-4.09653374E-12+1.84576190E+04+5.90250983E+01 4
+C10H9 C 10H 9 G 300.00 5000.00 1000.00 1
++2.42293900E+01+2.37029600E-02-7.09346000E-06+1.03581400E-09-6.01751500E-14 2
++1.95099300E+04-1.18237400E+02-2.42912400E+00+8.79982900E-02-5.68390900E-05 3
++1.22281800E-08+8.47450100E-13+2.76230400E+04+2.25328200E+01 4
+C10H10 C 10H 10 G 300.00 5000.00 1000.00 1
++2.24585300E+01+2.98982400E-02-1.02424500E-05+1.64272900E-09-1.01594100E-13 2
++4.61718000E+03-1.10181900E+02-3.37959900E+00+9.27962500E-02-5.91911200E-05 3
++1.23730300E-08+1.03626400E-12+1.24123800E+04+2.60167000E+01 4
+CXCCXCXO C 4H 4O 1 G 200.00 6000.00 1000.00 1
++9.74850463E+00+1.37125055E-02-5.05430099E-06+8.25446463E-10-4.97385204E-14 2
+-1.55172564E+03-2.40662801E+01+2.45069796E+00+2.60086795E-02+1.37550849E-06 3
+-2.17962924E-08+1.11438235E-11+8.71446510E+02+1.55762929E+01 4
+NAPH- C 10H 7 G 300.00 3000.00 1000.00 1
++3.22892303E+00+6.31264486E-02-3.80582381E-05+1.08454069E-08-1.18342512E-12 2
++4.78400840E+04+5.82016697E+00-8.02718034E+00+1.02924518E-01-8.34272010E-05 3
++2.72135383E-08-7.24559554E-13+5.01363344E+04+6.08902264E+01 4
+NAPH* C 10H 7 G 300.00 3000.00 1000.00 1
++3.29950506E+00+6.30133365E-02-3.79760083E-05+1.08180756E-08-1.18007697E-12 2
++4.76658373E+04+5.41215697E+00-8.00768796E+00+1.03041289E-01-8.38190998E-05 3
++2.76491726E-08-8.88842208E-13+4.99740633E+04+6.07298980E+01 4
+NAPHO C 10H 7O 1 G 200.00 6000.00 1000.00 1
++2.10591364E+01+2.82563070E-02-1.03328686E-05+1.68867034E-09-1.01974767E-13 2
++4.09143507E+03-8.84963398E+01-1.15176448E+00+6.11354512E-02+3.20151083E-05 3
+-9.94285290E-08+4.79990043E-11+1.14058756E+04+3.25584836E+01 4
+C9H7 C 9H 7 G 300.00 3000.00 1000.00 1
++3.65597547E+00+5.74808463E-02-3.42870600E-05+9.70278793E-09-1.05386412E-12 2
++3.06843457E+04+2.57680216E+00-8.73685384E+00+1.03421636E-01-9.23423393E-05 3
++3.75622958E-08-4.40605270E-12+3.31641009E+04+6.28218291E+01 4
+C9H6O C 9O 1H 6 G 300.00 3000.00 1000.00 1
++4.65659248E+00+5.70055822E-02-3.43174199E-05+9.76177442E-09-1.06334037E-12 2
++4.57857140E+03-7.03868477E-01-6.53928778E+00+9.69323286E-02-8.17698656E-05 3
++2.96699474E-08-2.24993392E-12+6.88883578E+03+5.40945996E+01 4
+BIN1A H 16C 20 G 300.00 5000.00 1000.00 1
++2.28710599E+01+7.94839410E-02-4.21619700E-05+1.06691760E-08-1.04891690E-12 2
++5.55088663E+04-1.00165423E+02-1.43921700E+01+2.05071170E-01-2.01668750E-04 3
++1.00637160E-07-1.98341200E-11+6.44124530E+04+8.61129840E+01 4
+FLUORENE H 10C 13 G 300.00 5000.00 1000.00 1
++2.31612871E+01+3.92128530E-02-1.25431510E-05+1.33503890E-09+0.00000000E+00 2
++1.23102892E+04-1.03717257E+02-1.12092800E+01+1.29847800E-01-9.07013380E-05 3
++2.32288460E-08+0.00000000E+00+2.19426600E+04+7.48524200E+01 4
+C14H10 C 14H 10 G 300.00 5000.00 1387.00 1
++3.35905687E+01+3.03999884E-02-1.05869652E-05+1.66527782E-09-9.75498585E-14 2
++3.04676726E+04-1.56193464E+02-8.67061479E+00+1.30751909E-01-1.00532524E-04 3
++3.78085301E-08-5.59154283E-12+4.47563353E+04+6.98275686E+01 4
+C16H10 C 16H 10 G 300.00 5000.00 1000.00 1
++2.90747022E+01+4.12337670E-02-1.26077060E-05+1.27453580E-09+0.00000000E+00 2
++1.41687238E+04-1.36431347E+02-1.06811200E+01+1.46535400E-01-1.03943520E-04 3
++2.70645390E-08+0.00000000E+00+2.52715000E+04+6.99617500E+01 4
+C6H5C2H C 8H 6 G 300.00 3000.00 1000.00 1
++2.40907590E+01+7.82324000E-04+1.14539640E-05-6.16205040E-09+9.33466850E-13 2
++2.74294450E+04-1.04996310E+02-5.26450160E+00+8.45110420E-02-7.65978480E-05 3
++3.32169780E-08-4.76730630E-12+3.55662420E+04+4.63788150E+01 4
+C6H4C2H3 C 8H 7 G 300.00 5000.00 1394.00 1
++1.74540862E+01+2.22040686E-02-9.33350484E-06+1.73528698E-09-1.13685613E-13 2
++3.87604904E+04-6.90454166E+01-5.18004315E+00+8.45709724E-02-7.57339260E-05 3
++3.38554022E-08-6.01465106E-12+4.55621698E+04+4.89682087E+01 4
+C6H5CHCO C 8O 1H 6 G 300.00 5000.00 1401.00 1
++2.12378901E+01+1.81721744E-02-6.29966472E-06+9.87075175E-10-5.76415017E-14 2
+-4.24755749E+03-8.76618956E+01-3.11626056E+00+8.34844687E-02-7.46479994E-05 3
++3.37702186E-08-6.06499260E-12+3.33501290E+03+4.00930802E+01 4
+C6H5C4H9 C 10H 14 G 300.00 5000.00 1395.00 1
++2.67352334E+01+3.43477266E-02-1.17087252E-05+1.81434544E-09-1.05143951E-13 2
+-1.51216286E+04-1.18171023E+02-6.22856223E+00+1.13691752E-01-8.50361112E-05 3
++3.27496505E-08-5.12339478E-12-3.97172741E+03+5.79294597E+01 4
+C6H5C4H7-2 C 10H 12 G 300.00 5000.00 1392.00 1
++2.43902403E+01+3.24004931E-02-1.11925596E-05+1.74946782E-09-1.01985620E-13 2
+-2.45450569E+02-1.04802041E+02-5.93522992E+00+1.04404463E-01-7.72345306E-05 3
++2.96299900E-08-4.66636566E-12+1.01859490E+04+5.76804055E+01 4
+C6H5C4H7-3 C 10H 12 G 300.00 5000.00 1395.00 1
++2.53129170E+01+3.14281387E-02-1.08152689E-05+1.68620292E-09-9.81246226E-14 2
+-1.40337072E+03-1.10601858E+02-5.52864894E+00+1.07276062E-01-8.33212344E-05 3
++3.36538598E-08-5.55115817E-12+8.92646491E+03+5.36875671E+01 4
+C6H5C4H7-1 C 10H 12 G 300.00 5000.00 1396.00 1
++2.56327022E+01+3.06080886E-02-1.04190973E-05+1.61318568E-09-9.34399509E-14 2
++8.18387633E+02-1.11127142E+02-6.54800245E+00+1.10347314E-01-8.66280506E-05 3
++3.49310042E-08-5.69147696E-12+1.14558141E+04+5.99487246E+01 4
+CR3 C 9H 10 G 300.00 5000.00 1394.00 1
++2.16587276E+01+2.75881451E-02-9.55076467E-06+1.49500893E-09-8.72399867E-14 2
++5.19915200E+03-9.05488599E+01-6.24410147E+00+9.58105961E-02-7.44144657E-05 3
++2.99733017E-08-4.93273232E-12+1.45952864E+04+5.82460572E+01 4
+C6H5CH2HCO C 8H 8O 1 G 300.00 5000.00 1392.00 1
++2.07189090E+01+2.34657288E-02-8.16859744E-06+1.28349619E-09-7.50981560E-14 2
+-1.59748937E+04-8.38562538E+01-4.63817169E+00+8.37851572E-02-6.32386011E-05 3
++2.42587771E-08-3.76921290E-12-7.30919223E+03+5.18907332E+01 4
+C6H5CH2CO C 8H 7O 1 G 300.00 5000.00 1000.00 1
++1.77196103E+01+1.59990428E-02-5.54532150E-06+8.69582681E-10-5.08335220E-14 2
++4.57408086E+03-6.82553109E+01-1.93001550E+00+6.18799970E-02-4.60916515E-05 3
++1.70133701E-08-2.49869948E-12+1.13352170E+04+3.71779131E+01 4
+C6H5COC2H4 H 9C 9O 1 G 300.00 5000.00 1391.00 1
++2.37012877E+01+2.55632683E-02-8.88177489E-06+1.39363094E-09-8.14595243E-14 2
++3.05045253E+04-9.69178455E+01-2.75443373E+00+9.08941745E-02-7.20233762E-05 3
++2.97163771E-08-5.01683123E-12+3.93793566E+04+4.39830037E+01 4
+C6H5COC2H3 H 8C 9O 1 G 300.00 5000.00 1000.00 1
++3.83667760E+01-4.95490570E-03+5.86686380E-06-1.52297800E-09+1.26267920E-13 2
+-1.36747500E+04-1.77860170E+02+5.30519190E-01+6.21828470E-02-2.33269730E-05 3
+-2.04770780E-09+7.20814900E-13+3.36182130E+02+3.09888800E+01 4
+C6H5CH2COCH2O2H O 3C 9H 10 G 300.00 5000.00 1385.00 1
++2.92927914E+01+2.82538142E-02-9.95783397E-06+1.57742365E-09-9.28147563E-14 2
+-3.55534508E+04-1.22782783E+02-2.11018715E+00+1.02587540E-01-7.82535349E-05 3
++3.06478103E-08-4.92350746E-12-2.46914802E+04+4.56198818E+01 4
+C6H5COCH2CH2O2 H 9C 9O 3 G 300.00 5000.00 1000.00 1
++1.23650690E+01+4.93552830E-02-1.85772440E-05+3.18550390E-09-2.06492130E-13 2
+-1.34807230E+04-2.66483230E+01-2.00734350E+00+1.04595950E-01-8.20567000E-05 3
++2.68478480E-08-1.29813200E-12-1.12660820E+04+4.15173070E+01 4
+C6H5COCH2CH2O H 9O 2C 9 G 300.00 5000.00 1000.00 1
++1.00041930E+01+4.92104220E-02-1.86429550E-05+3.21017170E-09-2.08638490E-13 2
+-1.26443030E+04-1.73589780E+01-3.33783770E+00+1.00087300E-01-7.71142510E-05 3
++2.52161030E-08-1.32224420E-12-1.05290390E+04+4.61063650E+01 4
+C6H5CH2CHCO H 8C 9O 1 G 300.00 5000.00 1397.00 1
++2.36796575E+01+2.34528152E-02-8.15256937E-06+1.27968269E-09-7.48196974E-14 2
+-7.20385161E+03-9.84534709E+01-4.75020329E+00+9.68735910E-02-8.22094541E-05 3
++3.56873386E-08-6.22330943E-12+1.95145808E+03+5.17190459E+01 4
+C6H5COCH2 C 8H 7O 1 G 300.00 5000.00 1393.00 1
++2.06377587E+01+2.09842204E-02-7.31094395E-06+1.14935927E-09-6.72742545E-14 2
++3.46513492E+04-8.22574610E+01-2.89631990E+00+7.81864943E-02-6.10228928E-05 3
++2.43055421E-08-3.92233529E-12+4.25768671E+04+4.33055092E+01 4
+C6H5CH2COCH2O2 H 9C 9O 3 G 300.00 5000.00 1384.00 1
++2.68320478E+01+2.80831929E-02-9.86628502E-06+1.55954244E-09-9.16223861E-14 2
+-1.62781168E+04-1.07799040E+02-1.12641051E+00+9.36750610E-02-6.99772831E-05 3
++2.72912128E-08-4.42393570E-12-6.48729126E+03+4.24435094E+01 4
+C6H5CH2COCH2 H 9C 9O 1 G 300.00 5000.00 1390.00 1
++2.32712538E+01+2.57435858E-02-8.90507867E-06+1.39337697E-09-8.12922746E-14 2
++8.48119323E+02-9.36335596E+01-3.04453343E+00+8.95593266E-02-6.90116023E-05 3
++2.75411948E-08-4.49576293E-12+9.76432431E+03+4.68894971E+01 4
+C6H5CH2COCH2O H 9O 2C 9 G 300.00 5000.00 1387.00 1
++2.50921142E+01+2.70954097E-02-9.44950492E-06+1.48654354E-09-8.70498915E-14 2
+-1.54617131E+04-1.01953774E+02-2.96135894E+00+9.34865550E-02-7.01733036E-05 3
++2.70891709E-08-4.28268007E-12-5.78380994E+03+4.84453509E+01 4
+C6H5CCO H 5C 8O 1 G 300.00 5000.00 1391.00 1
++2.05717606E+01+1.65626187E-02-5.73631528E-06+8.98556853E-10-5.24719633E-14 2
++1.85523144E+04-7.88307218E+01+2.46903285E+00+5.68111793E-02-3.84432919E-05 3
++1.22781652E-08-1.44841401E-12+2.49411038E+04+1.89465318E+01 4
+C6H5COCH2CH2O2H O 3C 9H 10 G 300.00 5000.00 1000.00 1
++1.00934320E+01+5.66170400E-02-2.27915440E-05+4.09588190E-09-2.74356740E-13 2
+-3.04530310E+04-1.27646410E+01-7.60990380E-01+1.01285230E-01-7.27075530E-05 3
++1.85728910E-08+1.28084810E-12-2.92243300E+04+3.72903940E+01 4
+H H 1 G 200.00 6000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
++2.54736600E+04-4.46682850E-01+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00+2.54736600E+04-4.46682850E-01 4
+H2 H 2 G 200.00 6000.00 1000.00 1
++2.93286575E+00+8.26608026E-04-1.46402364E-07+1.54100414E-11-6.88804800E-16 2
+-8.13065581E+02-1.02432865E+00+2.34433112E+00+7.98052075E-03-1.94781510E-05 3
++2.01572094E-08-7.37611761E-12-9.17935173E+02+6.83010238E-01 4
+O O 1 G 200.00 6000.00 1000.00 1
++2.54363697E+00-2.73162486E-05-4.19029520E-09+4.95481845E-12-4.79553694E-16 2
++2.92260120E+04+4.92229457E+00+3.16826710E+00-3.27931884E-03+6.64306396E-06 3
+-6.12806624E-09+2.11265971E-12+2.91222592E+04+2.05193346E+00 4
+O2 O 2 G 200.00 6000.00 1000.00 1
++3.66096065E+00+6.56365811E-04-1.41149627E-07+2.05797935E-11-1.29913436E-15 2
+-1.21597718E+03+3.41536279E+00+3.78245636E+00-2.99673416E-03+9.84730201E-06 3
+-9.68129509E-09+3.24372837E-12-1.06394356E+03+3.65767573E+00 4
+OH H 1O 1 G 200.00 6000.00 1000.00 1
++2.83853033E+00+1.10741289E-03-2.94000209E-07+4.20698729E-11-2.42289890E-15 2
++3.69780808E+03+5.84494652E+00+3.99198424E+00-2.40106655E-03+4.61664033E-06 3
+-3.87916306E-09+1.36319502E-12+3.36889836E+03-1.03998477E-01 4
+OH* H 1O 1 G 300.00 5000.00 1000.00 1
++2.88273000E+00+1.01397430E-03-2.27687700E-07+2.17468300E-11-5.12630500E-16 2
++5.02650000E+04+5.59571200E+00+3.63726600E+00+1.85091000E-04-1.67616460E-06 3
++2.38720200E-09-8.43144200E-13+5.00213000E+04+1.35886050E+00 4
+H2O H 2O 1 G 200.00 6000.00 1000.00 1
++2.67703890E+00+2.97318160E-03-7.73768890E-07+9.44335140E-11-4.26899910E-15 2
+-2.98858940E+04+6.88255000E+00+4.19863520E+00-2.03640170E-03+6.52034160E-06 3
+-5.48792690E-09+1.77196800E-12-3.02937260E+04-8.49009010E-01 4
+N2 N 2 G 200.00 6000.00 1000.00 1
++2.95257637E+00+1.39690040E-03-4.92631603E-07+7.86010195E-11-4.60755204E-15 2
+-9.23948688E+02+5.87188762E+00+3.53100528E+00-1.23660988E-04-5.02999433E-07 3
++2.43530612E-09-1.40881235E-12-1.04697628E+03+2.96747038E+00 4
+HO2 H 1O 2 G 200.00 5000.00 1000.00 1
++4.17228741E+00+1.88117627E-03-3.46277286E-07+1.94657549E-11+1.76256905E-16 2
++3.10206839E+01+2.95767672E+00+4.30179807E+00-4.74912097E-03+2.11582905E-05 3
+-2.42763914E-08+9.29225225E-12+2.64018485E+02+3.71666220E+00 4
+H2O2 H 2O 2 G 200.00 6000.00 1000.00 1
++4.57977305E+00+4.05326003E-03-1.29844730E-06+1.98211400E-10-1.13968792E-14 2
+-1.80071775E+04+6.64970694E-01+4.31515149E+00-8.47390622E-04+1.76404323E-05 3
+-2.26762944E-08+9.08950158E-12-1.77067437E+04+3.27373319E+00 4
+AR AR 1 G 200.00 6000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
+-7.45375000E+02+4.37967491E+00+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00-7.45375000E+02+4.37967491E+00 4
+CO O 1C 1 G 200.00 6000.00 1000.00 1
++3.04848590E+00+1.35172810E-03-4.85794050E-07+7.88536440E-11-4.69807460E-15 2
+-1.42661170E+04+6.01709770E+00+3.57953350E+00-6.10353690E-04+1.01681430E-06 3
++9.07005860E-10-9.04424490E-13-1.43440860E+04+3.50840930E+00 4
+CO2 O 2C 1 G 200.00 6000.00 1000.00 1
++4.63651110E+00+2.74145690E-03-9.95897590E-07+1.60386660E-10-9.16198570E-15 2
+-4.90249040E+04-1.93489550E+00+2.35681300E+00+8.98412990E-03-7.12206320E-06 3
++2.45730080E-09-1.42885480E-13-4.83719710E+04+9.90090350E+00 4
+CH2O H 2O 1C 1 G 200.00 6000.00 1000.00 1
++3.16952665E+00+6.19320560E-03-2.25056366E-06+3.65975660E-10-2.20149458E-14 2
+-1.45486831E+04+6.04207898E+00+4.79372312E+00-9.90833322E-03+3.73219990E-05 3
+-3.79285237E-08+1.31772641E-11-1.43791953E+04+6.02798058E-01 4
+HCO H 1C 1O 1 G 200.00 6000.00 1000.00 1
++3.92001542E+00+2.52279324E-03-6.71004164E-07+1.05615948E-10-7.43798261E-15 2
++3.65342928E+03+3.58077056E+00+4.23754610E+00-3.32075257E-03+1.40030264E-05 3
+-1.34239995E-08+4.37416208E-12+3.87241185E+03+3.30834869E+00 4
+HO2CHO H 2O 3C 1 G 300.00 5000.00 1378.00 1
++9.87503878E+00+4.64663708E-03-1.67230522E-06+2.68624413E-10-1.59595232E-14 2
+-3.80502496E+04-2.24939155E+01+2.42464726E+00+2.19706380E-02-1.68705546E-05 3
++6.25612194E-09-9.11645843E-13-3.54828006E+04+1.75027796E+01 4
+HCOH H 2O 1C 1 G 300.00 5000.00 1398.00 1
++9.18749272E+00+1.52011152E-03-6.27603516E-07+1.09727989E-10-6.89655128E-15 2
++7.81364593E+03-2.73434214E+01-2.82157421E+00+3.57331702E-02-3.80861580E-05 3
++1.86205951E-08-3.45957838E-12+1.12956672E+04+3.48487757E+01 4
+O2CHO H 1O 3C 1 G 300.00 5000.00 1368.00 1
++7.24075139E+00+4.63312951E-03-1.63693995E-06+2.59706693E-10-1.52964699E-14 2
+-1.87027618E+04-6.49547212E+00+3.96059309E+00+1.06002279E-02-5.25713351E-06 3
++1.01716726E-09-2.87487602E-14-1.73599383E+04+1.17807483E+01 4
+HOCHO H 2O 2C 1 G 200.00 6000.00 1000.00 1
++4.61383160E+00+6.44963640E-03-2.29082510E-06+3.67160470E-10-2.18736750E-14 2
+-4.75148500E+04+8.47883830E-01+3.89836160E+00-3.55877950E-03+3.55205380E-05 3
+-4.38499590E-08+1.71077690E-11-4.67706090E+04+7.34953970E+00 4
+OCHO H 1C 1O 2 G 200.00 6000.00 1000.00 1
++4.14394211E+00+5.59738818E-03-1.99794019E-06+3.16179193E-10-1.85614483E-14 2
+-1.72459887E+04+5.07778617E+00+4.68825921E+00-4.14871834E-03+2.55066010E-05 3
+-2.84473900E-08+1.04422559E-11-1.69867041E+04+4.28426480E+00 4
+HOCH2O2H H 4O 3C 1 G 300.00 5000.00 1422.00 1
++1.16303827E+01+7.15133688E-03-2.39035030E-06+3.65772791E-10-2.10199524E-14 2
+-4.31079242E+04-3.24276725E+01+1.85716693E+00+3.23153132E-02-2.69928902E-05 3
++1.11694484E-08-1.81284103E-12-4.00314471E+04+1.90917729E+01 4
+HOCH2O2 H 3O 3C 1 G 300.00 5000.00 1412.00 1
++9.04545938E+00+7.15223373E-03-2.37005676E-06+3.60083481E-10-2.05750228E-14 2
+-2.49414886E+04-1.74210530E+01+2.85441621E+00+2.33663535E-02-1.88115990E-05 3
++7.96709515E-09-1.36346618E-12-2.29866196E+04+1.51730565E+01 4
+OCH2O2H H 3O 3C 1 G 300.00 5000.00 1420.00 1
++1.15398246E+01+5.34291432E-03-1.81878917E-06+2.81968625E-10-1.63584348E-14 2
+-1.68237489E+04-3.20700633E+01+1.93823075E+00+3.01465730E-02-2.61053152E-05 3
++1.09463562E-08-1.78312692E-12-1.38166625E+04+1.85042002E+01 4
+HOCH2O H 3O 2C 1 G 300.00 5000.00 1452.00 1
++6.39521515E+00+7.43673043E-03-2.50422354E-06+3.84879712E-10-2.21778689E-14 2
+-2.41108840E+04-6.63865583E+00+4.11183145E+00+7.53850697E-03+3.77337370E-06 3
+-5.38746005E-09+1.45615887E-12-2.28023001E+04+7.46807254E+00 4
+CH3OH H 4O 1C 1 G 200.00 6000.00 1000.00 1
++3.52726795E+00+1.03178783E-02-3.62892944E-06+5.77448016E-10-3.42182632E-14 2
+-2.60028834E+04+5.16758693E+00+5.65851051E+00-1.62983419E-02+6.91938156E-05 3
+-7.58372926E-08+2.80427550E-11-2.56119736E+04-8.97330508E-01 4
+CH2OH C 1O 1H 3 G 200.00 6000.00 1000.00 1
++5.09314370E+00+5.94761260E-03-2.06497460E-06+3.23008173E-10-1.88125902E-14 2
+-4.03409640E+03-1.84691493E+00+4.47834367E+00-1.35070310E-03+2.78484980E-05 3
+-3.64869060E-08+1.47907450E-11-3.50072890E+03+3.30913500E+00 4
+CH3O C 1O 1H 3 G 200.00 6000.00 1000.00 1
++4.75779238E+00+7.44142474E-03-2.69705176E-06+4.38090504E-10-2.63537098E-14 2
++3.78111940E+02-1.96680028E+00+3.71180502E+00-2.80463306E-03+3.76550971E-05 3
+-4.73072089E-08+1.86588420E-11+1.29569760E+03+6.57240864E+00 4
+CH3O2H C 1H 4O 2 G 200.00 6000.00 1000.00 1
++7.76538058E+00+8.61499712E-03-2.98006935E-06+4.68638071E-10-2.75339255E-14 2
+-1.82979984E+04-1.43992663E+01+2.90540897E+00+1.74994735E-02+5.28243630E-06 3
+-2.52827275E-08+1.34368212E-11-1.68894632E+04+1.13741987E+01 4
+CH3O2 H 3O 2C 1 G 300.00 5000.00 1000.00 1
++4.80390863E+00+9.95844638E-03-3.85301026E-06+6.84740497E-10-4.58402955E-14 2
+-7.47135460E+02+1.45281400E+00+3.62497097E+00+3.59397933E-03+2.26538097E-05 3
+-2.95391947E-08+1.11977570E-11+7.93040410E+01+9.96382194E+00 4
+CH4 C 1H 4 G 200.00 6000.00 1000.00 1
++1.65326226E+00+1.00263099E-02-3.31661238E-06+5.36483138E-10-3.14696758E-14 2
+-1.00095936E+04+9.90506283E+00+5.14911468E+00-1.36622009E-02+4.91453921E-05 3
+-4.84246767E-08+1.66603441E-11-1.02465983E+04-4.63848842E+00 4
+CH3 C 1H 3 G 200.00 6000.00 1000.00 1
++2.97812060E+00+5.79785200E-03-1.97558000E-06+3.07297900E-10-1.79174160E-14 2
++1.65095130E+04+4.72247990E+00+3.65717970E+00+2.12659790E-03+5.45838830E-06 3
+-6.61810030E-09+2.46570740E-12+1.64227160E+04+1.67353540E+00 4
+CH2 C 1H 2 G 200.00 6000.00 1000.00 1
++3.14631886E+00+3.03671259E-03-9.96474439E-07+1.50483580E-10-8.57335515E-15 2
++4.60412605E+04+4.72341711E+00+3.71757846E+00+1.27391260E-03+2.17347251E-06 3
+-3.48858500E-09+1.65208866E-12+4.58723866E+04+1.75297945E+00 4
+CH2(S) C 1H 2 G 200.00 6000.00 1000.00 1
++3.13501686E+00+2.89593926E-03-8.16668090E-07+1.13572697E-10-6.36262835E-15 2
++5.05040504E+04+4.06030621E+00+4.19331325E+00-2.33105184E-03+8.15676451E-06 3
+-6.62985981E-09+1.93233199E-12+5.03662246E+04-7.46734310E-01 4
+C C 1 G 200.00 6000.00 1000.00 1
++2.60558300E+00-1.95934340E-04+1.06737220E-07-1.64239400E-11+8.18705800E-16 2
++8.54117420E+04+4.19238680E+00+2.55423950E+00-3.21537720E-04+7.33792230E-07 3
+-7.32234870E-10+2.66521440E-13+8.54426810E+04+4.53130850E+00 4
+CH H 1C 1 G 200.00 6000.00 1000.00 1
++2.52093690E+00+1.76536390E-03-4.61476600E-07+5.92896750E-11-3.34745010E-15 2
++7.09467690E+04+7.40518290E+00+3.48975830E+00+3.24321600E-04-1.68997510E-06 3
++3.16284200E-09-1.40618030E-12+7.06126460E+04+2.08428410E+00 4
+CH* H 1C 1 G 300.00 5000.00 1000.00 1
++2.19622300E+00+2.34038100E-03-7.05820100E-07+9.00758200E-11-3.85504000E-15 2
++1.04195590E+05+9.17837300E+00+3.20020200E+00+2.07287500E-03-5.13443100E-06 3
++5.73389000E-09-1.95553300E-12+1.03937140E+05+3.33158700E+00 4
+C2H6 C 2H 6 G 200.00 6000.00 1000.00 1
++4.04666411E+00+1.53538802E-02-5.47039485E-06+8.77826544E-10-5.23167531E-14 2
+-1.24473499E+04-9.68698313E-01+4.29142572E+00-5.50154901E-03+5.99438458E-05 3
+-7.08466469E-08+2.68685836E-11-1.15222056E+04+2.66678994E+00 4
+C2H5 H 5C 2 G 300.00 5000.00 1387.00 1
++5.88784390E+00+1.03076793E-02-3.46844396E-06+5.32499257E-10-3.06512651E-14 2
++1.15065499E+04-8.49651771E+00+1.32730217E+00+1.76656753E-02-6.14926558E-06 3
+-3.01143466E-10+4.38617775E-13+1.34284028E+04+1.71789216E+01 4
+C2H4 H 4C 2 G 200.00 6000.00 1000.00 1
++3.99182724E+00+1.04833908E-02-3.71721342E-06+5.94628366E-10-3.53630386E-14 2
++4.26865851E+03-2.69081762E-01+3.95920063E+00-7.57051373E-03+5.70989993E-05 3
+-6.91588352E-08+2.69884190E-11+5.08977598E+03+4.09730213E+00 4
+C2H3 C 2H 3 G 200.00 6000.00 1000.00 1
++4.15026763E+00+7.54021341E-03-2.62997847E-06+4.15974048E-10-2.45407509E-14 2
++3.38566380E+04+1.72812235E+00+3.36377642E+00+2.65765722E-04+2.79620704E-05 3
+-3.72986942E-08+1.51590176E-11+3.44749589E+04+7.91510092E+00 4
+C2H2 H 2C 2 G 200.00 6000.00 1000.00 1
++4.65878489E+00+4.88396667E-03-1.60828888E-06+2.46974544E-10-1.38605959E-14 2
++2.57594042E+04-3.99838194E+00+8.08679682E-01+2.33615762E-02-3.55172234E-05 3
++2.80152958E-08-8.50075165E-12+2.64289808E+04+1.39396761E+01 4
+C2H H 1C 2 G 200.00 6000.00 1000.00 1
++3.66270248E+00+3.82492252E-03-1.36632500E-06+2.13455040E-10-1.23216848E-14 2
++6.71683790E+04+3.92205792E+00+2.89867676E+00+1.32988489E-02-2.80733327E-05 3
++2.89484755E-08-1.07502351E-11+6.70616050E+04+6.18547632E+00 4
+CH3CHO H 4C 2O 1 G 200.00 6000.00 1000.00 1
++5.40411080E+00+1.17230590E-02-4.22631370E-06+6.83724510E-10-4.09848630E-14 2
+-2.25931220E+04-3.48079170E+00+4.72945950E+00-3.19328580E-03+4.75349210E-05 3
+-5.74586110E-08+2.19311120E-11-2.15728780E+04+4.10301590E+00 4
+C2H3OH H 4O 1C 2 G 300.00 5000.00 1410.00 1
++8.32598158E+00+8.03387281E-03-2.63928405E-06+3.98410726E-10-2.26551155E-14 2
+-1.83221436E+04-2.02080305E+01-1.27972260E-01+3.38506073E-02-3.30644935E-05 3
++1.64858739E-08-3.19935455E-12-1.59914544E+04+2.30438601E+01 4
+C2H2OH H 3O 1C 2 G 300.00 5000.00 1000.00 1
++6.81339897E+00+8.05827723E-03-3.11728612E-06+5.54590896E-10-3.71804255E-14 2
++1.31583034E+04-1.09863525E+01+5.62397968E-01+2.64598620E-02-2.28453705E-05 3
++9.14478695E-09-1.06711936E-12+1.48374643E+04+2.10439544E+01 4
+CH3CO O 1C 2H 3 G 200.00 6000.00 1000.00 1
++5.31371650E+00+9.17377930E-03-3.32203860E-06+5.39474560E-10-3.24523680E-14 2
+-3.64504140E+03-1.67575580E+00+4.03587050E+00+8.77294870E-04+3.07100100E-05 3
+-3.92475650E-08+1.52968690E-11-2.68207380E+03+7.86176820E+00 4
+CH2CHO O 1C 2H 3 G 200.00 6000.00 1000.00 1
++6.53928338E+00+7.80238629E-03-2.76413612E-06+4.42098906E-10-2.62954290E-14 2
+-1.18858659E+03-8.72091393E+00+2.79502600E+00+1.01099472E-02+1.61750645E-05 3
+-3.10303145E-08+1.39436139E-11+1.62944975E+02+1.23646657E+01 4
+O2CH2CHO H 3O 3C 2 G 300.00 5000.00 1393.00 1
++1.11807543E+01+9.14479256E-03-3.15089833E-06+4.91944238E-10-2.86639180E-14 2
+-1.55790331E+04-2.87892740E+01-1.29465843E+00+4.44936393E-02-4.26577074E-05 3
++2.07391950E-08-3.96828771E-12-1.18275628E+04+3.60778797E+01 4
+HO2CH2CO H 3O 3C 2 G 300.00 5000.00 1386.00 1
++1.04146322E+01+1.12680116E-02-5.17494839E-06+1.00333285E-09-6.68165911E-14 2
+-1.40955672E+04-2.27894400E+01+2.22681686E+00+3.56781380E-02-3.26401909E-05 3
++1.47651988E-08-2.64794380E-12-1.18735095E+04+1.91581197E+01 4
+CH2CO H 2O 1C 2 G 300.00 5000.00 1000.00 1
++5.35869367E+00+6.95641586E-03-2.64802637E-06+4.65067592E-10-3.08641820E-14 2
+-7.90294013E+03-3.98525731E+00+1.81422511E+00+1.99008590E-02-2.21416008E-05 3
++1.45028521E-08-3.98877068E-12-7.05394926E+03+1.36079359E+01 4
+HCCO H 1O 1C 2 G 200.00 6000.00 1000.00 1
++5.91479333E+00+3.71408730E-03-1.30137010E-06+2.06473345E-10-1.21476759E-14 2
++1.93596301E+04-5.50567269E+00+1.87607969E+00+2.21205418E-02-3.58869325E-05 3
++3.05402541E-08-1.01281069E-11+2.01633840E+04+1.36968290E+01 4
+HCCOH H 2O 1C 2 G 200.00 6000.00 1000.00 1
++6.37509678E+00+5.49429011E-03-1.88136576E-06+2.93803536E-10-1.71771901E-14 2
++8.93277676E+03-8.24498007E+00+2.05541154E+00+2.52003372E-02-3.80821654E-05 3
++3.09890632E-08-9.89799902E-12+9.76872113E+03+1.22271534E+01 4
+CH3CO3H H 4O 3C 2 G 300.00 5000.00 1391.00 1
++1.25060485E+01+9.47789695E-03-3.30402246E-06+5.19630793E-10-3.04233568E-14 2
+-4.59856703E+04-3.79195947E+01+2.24135876E+00+3.37963514E-02-2.53887482E-05 3
++9.67583587E-09-1.49266157E-12-4.24677831E+04+1.70668133E+01 4
+CH3CO3 H 3O 3C 2 G 300.00 5000.00 1391.00 1
++1.12522498E+01+8.33652672E-03-2.89014530E-06+4.52781734E-10-2.64354456E-14 2
+-2.60238584E+04-2.96370457E+01+3.60373432E+00+2.70080341E-02-2.08293438E-05 3
++8.50541104E-09-1.43846110E-12-2.34205171E+04+1.12014914E+01 4
+CH3CO2 H 3O 2C 2 G 300.00 5000.00 1395.00 1
++8.54059736E+00+8.32951214E-03-2.84722010E-06+4.41927196E-10-2.56373394E-14 2
+-2.97290678E+04-2.03883545E+01+1.37440768E+00+2.49115604E-02-1.74308894E-05 3
++6.24799508E-09-9.09516835E-13-2.72330150E+04+1.81405454E+01 4
+C2H5OH H 6C 2O 1 G 200.00 6000.00 1000.00 1
++6.56243650E+00+1.52042220E-02-5.38967950E-06+8.62250110E-10-5.12897870E-14 2
+-3.15256210E+04-9.47302020E+00+4.85869570E+00-3.74017260E-03+6.95553780E-05 3
+-8.86547960E-08+3.51688350E-11-2.99961320E+04+4.80185450E+00 4
+C2H5O H 5O 1C 2 G 200.00 6000.00 1000.00 1
++6.68899820E+00+1.31256760E-02-4.70388400E-06+7.58585520E-10-4.54133060E-14 2
+-4.74578320E+03-9.69837550E+00+4.30742680E+00+6.41472050E-03+3.11397140E-05 3
+-4.33140830E-08+1.72761840E-11-3.40275240E+03+5.90258370E+00 4
+PC2H4OH H 5O 1C 2 G 200.00 6000.00 1000.00 1
++7.02824536E+00+1.20037746E-02-4.21306455E-06+6.69471213E-10-3.96371893E-14 2
+-5.92493321E+03-9.40355948E+00+4.47893092E+00+7.59782301E-03+2.81794908E-05 3
+-4.26953487E-08+1.78878934E-11-4.71446256E+03+6.38921206E+00 4
+SC2H4OH H 5O 1C 2 G 200.00 6000.00 1000.00 1
++6.35842302E+00+1.24356276E-02-4.33096839E-06+6.84530381E-10-4.03713238E-14 2
+-9.37900432E+03-6.05106112E+00+4.22283250E+00+5.12174798E-03+3.48386522E-05 3
+-4.91943637E-08+2.01183723E-11-8.20503939E+03+8.01675700E+00 4
+O2C2H4OH H 5O 3C 2 G 300.00 5000.00 1392.00 1
++1.07432659E+01+1.30957787E-02-4.45370088E-06+6.88548738E-10-3.98230113E-14 2
+-2.55911274E+04-2.33254953E+01+4.11839445E+00+2.72240632E-02-1.60824430E-05 3
++5.17033408E-09-7.31610168E-13-2.30857785E+04+1.28482112E+01 4
+C2H5O2H O 2C 2H 6 G 300.00 5000.00 1391.00 1
++1.12305737E+01+1.20482120E-02-3.96730201E-06+6.00754632E-10-3.42657803E-14 2
+-2.47977531E+04-3.25607232E+01+1.57329011E+00+3.52379996E-02-2.53203993E-05 3
++9.56802476E-09-1.48167375E-12-2.15278368E+04+1.90472032E+01 4
+C2H5O2 O 2H 5C 2 G 200.00 6000.00 1000.00 1
++8.88872432E+00+1.35833179E-02-4.91116949E-06+7.92343362E-10-4.73525704E-14 2
+-7.44107388E+03-1.90789836E+01+4.50099327E+00+6.87965342E-03+4.74143971E-05 3
+-6.92287127E-08+2.87395324E-11-5.39547911E+03+7.91490068E+00 4
+C2H4O2H H 5O 2C 2 G 300.00 5000.00 1397.00 1
++1.05228954E+01+9.48091381E-03-3.55727763E-06+6.41445994E-10-4.21232247E-14 2
++1.55718322E+03-2.31413632E+01+3.46916874E+00+2.71188626E-02-2.08022550E-05 3
++8.44284845E-09-1.40756215E-12+3.89688270E+03+1.43400726E+01 4
+C2H4O1-2 H 4C 2O 1 G 200.00 6000.00 1000.00 1
++5.48876410E+00+1.20461900E-02-4.33369310E-06+7.00283110E-10-4.19490880E-14 2
+-9.18042510E+03-7.07996050E+00+3.75905320E+00-9.44121800E-03+8.03097210E-05 3
+-1.00807880E-07+4.00399210E-11-7.56081430E+03+7.84974750E+00 4
+C2H3O1-2 O 1C 2H 3 G 200.00 6000.00 1000.00 1
++5.60158035E+00+9.17613962E-03-3.28028902E-06+5.27903888E-10-3.15362241E-14 2
++1.71446252E+04-5.47228512E+00+3.58349017E+00-6.02275805E-03+6.32426867E-05 3
+-8.18540707E-08+3.30444505E-11+1.85681353E+04+9.59725926E+00 4
+CH3COCH3 C 3O 1H 6 G 200.00 6000.00 1000.00 1
++7.29796974E+00+1.75656913E-02-6.31678065E-06+1.02025553E-09-6.10903592E-14 2
+-2.95368927E+04-1.27591704E+01+5.55638920E+00-2.83863547E-03+7.05722951E-05 3
+-8.78130984E-08+3.40290951E-11-2.78325393E+04+2.31960221E+00 4
+CH3COCH2 H 5C 3O 1 G 200.00 6000.00 1000.00 1
++7.54410697E+00+1.43443222E-02-5.08381081E-06+8.13200521E-10-4.83673315E-14 2
+-7.48672286E+03-1.14792587E+01+4.70187196E+00+5.51653762E-03+4.27505858E-05 3
+-5.94680816E-08+2.40685378E-11-5.92845491E+03+7.12932590E+00 4
+CH3COCH2O2 H 5O 3C 3 G 300.00 5000.00 1379.00 1
++1.27690342E+01+1.42554828E-02-4.92821461E-06+7.70448921E-10-4.49110534E-14 2
+-2.34798669E+04-3.27155799E+01+5.95535468E+00+2.70255205E-02-1.37385031E-05 3
++3.53735851E-09-4.03922557E-13-2.06679464E+04+5.21436049E+00 4
+C3KET21 H 6O 3C 3 G 300.00 5000.00 1371.00 1
++1.56377776E+01+1.44059342E-02-5.08808082E-06+8.07076119E-10-4.75295650E-14 2
+-4.30657975E+04-5.13105869E+01+4.55686367E+00+3.57076837E-02-1.94712054E-05 3
++4.70695431E-09-3.69753807E-13-3.86710975E+04+9.97761694E+00 4
+C2H3CHO H 4O 1C 3 G 300.00 5000.00 1393.00 1
++1.04184959E+01+9.48963321E-03-3.29310529E-06+5.16279203E-10-3.01587291E-14 2
+-1.49630281E+04-3.07235061E+01+2.92355162E-01+3.54321417E-02-2.94936324E-05 3
++1.28100124E-08-2.26144108E-12-1.16521584E+04+2.28878280E+01 4
+C2H3CO H 3O 1C 3 G 300.00 5000.00 1402.00 1
++9.37467676E+00+7.91296900E-03-2.67198280E-06+4.11115430E-10-2.36978981E-14 2
++1.92969514E+03-2.40892696E+01+1.36242013E+00+3.15273972E-02-3.00218935E-05 3
++1.48167112E-08-2.87971530E-12+4.25770215E+03+1.72626546E+01 4
+C2H5CHO C 3O 1H 6 G 200.00 6000.00 1000.00 1
++7.44085690E+00+1.77301764E-02-6.34081568E-06+1.02040803E-09-6.09461714E-14 2
+-2.60055814E+04-1.44195446E+01+4.24529681E+00+6.68296706E-03+4.93337933E-05 3
+-6.71986124E-08+2.67262347E-11-2.41473007E+04+6.90738560E+00 4
+C2H5CO H 5C 3O 1 G 200.00 6000.00 1000.00 1
++6.52325448E+00+1.54211952E-02-5.50898157E-06+8.85889862E-10-5.28846399E-14 2
+-7.19631634E+03-5.19862218E+00+6.25722402E+00-9.17612184E-03+7.61190493E-05 3
+-9.05514997E-08+3.46198215E-11-5.91616484E+03+2.23330599E+00 4
+CH3OCH3 O 1C 2H 6 G 300.00 5000.00 1367.00 1
++7.36358679E+00+1.38910153E-02-4.74083257E-06+7.34874498E-10-4.25867578E-14 2
+-2.61148074E+04-1.61332876E+01+2.41860337E+00+1.87279640E-02-1.40894592E-06 3
+-4.28367822E-09+1.36818123E-12-2.36771735E+04+1.28877967E+01 4
+CH3OCH2 H 5O 1C 2 G 300.00 5000.00 1389.00 1
++6.73134670E+00+1.18022530E-02-4.00104434E-06+6.17227325E-10-3.56435023E-14 2
+-3.34933412E+03-9.40782513E+00+2.19172957E+00+1.90390966E-02-6.81450700E-06 3
++8.63577609E-11+3.23902492E-13-1.38948253E+03+1.62440756E+01 4
+CH3OCH2O2 H 5O 3C 2 G 300.00 5000.00 1399.00 1
++1.22024149E+01+1.19225104E-02-4.06624713E-06+6.30079576E-10-3.65065312E-14 2
+-2.40327175E+04-3.38665462E+01+1.72101041E+00+3.78155492E-02-2.89668870E-05 3
++1.16796117E-08-1.93234479E-12-2.05308597E+04+2.19296296E+01 4
+CH2OCH2O2H H 5O 3C 2 G 300.00 5000.00 1419.00 1
++1.51031233E+01+9.18263324E-03-3.15895361E-06+4.92789411E-10-2.87001298E-14 2
+-1.96611854E+04-4.85172618E+01+9.08332173E-01+4.47997444E-02-3.69441578E-05 3
++1.48366604E-08-2.32279459E-12-1.50992319E+04+2.66419885E+01 4
+CH3OCH2O2H O 3C 2H 6 G 300.00 5000.00 1402.00 1
++1.46617126E+01+1.20544674E-02-4.13604704E-06+6.43721637E-10-3.74188832E-14 2
+-4.18896186E+04-4.81293252E+01+7.37369081E-01+4.67410003E-02-3.73051936E-05 3
++1.50735309E-08-2.43781978E-12-3.73260287E+04+2.57932851E+01 4
+CH3OCH2O H 5O 2C 2 G 300.00 5000.00 2012.00 1
++8.60261845E+00+1.35772195E-02-4.84661602E-06+7.77766193E-10-4.62633624E-14 2
+-2.13762444E+04-1.75775023E+01+3.25889339E+00+2.22146359E-02-7.78556340E-06 3
+-2.41484158E-10+4.51914496E-13-1.92377212E+04+1.23680069E+01 4
+O2CH2OCH2O2H O 5H 5C 2 G 300.00 5000.00 1411.00 1
++1.96207800E+01+9.96131702E-03-3.41480475E-06+5.31364852E-10-3.08902100E-14 2
+-3.98679641E+04-6.72721405E+01-1.22579809E-01+6.64376755E-02-6.55340609E-05 3
++3.13441786E-08-5.79042960E-12-3.41530358E+04+3.49112501E+01 4
+HO2CH2OCHO H 4O 4C 2 G 300.00 5000.00 1428.00 1
++1.78528337E+01+7.54042388E-03-2.74895624E-06+4.45343367E-10-2.66154007E-14 2
+-6.41380252E+04-6.47357373E+01+5.15432996E-01+4.76081860E-02-3.63877925E-05 3
++1.24225089E-08-1.50813145E-12-5.82730214E+04+2.81992694E+01 4
+OCH2OCHO H 3O 3C 2 G 300.00 5000.00 1426.00 1
++1.24378042E+01+7.82259106E-03-2.82874305E-06+4.55808935E-10-2.71391601E-14 2
+-4.44526361E+04-3.85337353E+01+3.92797655E+00+1.85731220E-02-4.14656828E-07 3
+-6.94060480E-09+2.32311215E-12-4.07070844E+04+1.02048630E+01 4
+HOCH2OCO H 3O 3C 2 G 300.00 5000.00 1603.00 1
++1.13737391E+01+8.17663898E-03-2.92034021E-06+4.66695616E-10-2.76276823E-14 2
+-4.65575743E+04-2.86035265E+01+6.08180801E+00+1.28768359E-02+2.04419418E-06 3
+-6.10154921E-09+1.79820559E-12-4.39526183E+04+2.54054449E+00 4
+CH3OCHO O 2H 4C 2 G 200.00 6000.00 1000.00 1
++6.33360880E+00+1.34851485E-02-4.84305805E-06+7.81719241E-10-4.67917447E-14 2
+-4.68316521E+04-6.91542601E+00+5.96757028E+00-9.38085425E-03+7.07648417E-05 3
+-8.29932227E-08+3.13522917E-11-4.55713267E+04+7.50341113E-01 4
+CH3OCO O 2C 2H 3 G 200.00 6000.00 1000.00 1
++7.00171955E+00+1.01977290E-02-3.65621800E-06+5.89475086E-10-3.52561321E-14 2
+-2.26135780E+04-9.05267669E+00+4.75563598E+00+7.80915313E-03+1.62272935E-05 3
+-2.41210787E-08+9.42644561E-12-2.15157456E+04+4.78096491E+00 4
+CH2OCHO H 3O 2C 2 G 300.00 5000.00 1442.00 1
++1.00960096E+01+7.19887066E-03-2.59813465E-06+4.18110812E-10-2.48723387E-14 2
+-2.36389018E+04-2.71144175E+01+2.31031671E+00+1.80474065E-02-2.71519637E-06 3
+-4.60918579E-09+1.70037078E-12-2.02910878E+04+1.71549722E+01 4
+HE HE 1 G 200.00 6000.00 1000.00 1
++2.50000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00+0.00000000E+00 2
+-7.45375000E+02+9.28723974E-01+2.50000000E+00+0.00000000E+00+0.00000000E+00 3
++0.00000000E+00+0.00000000E+00-7.45375000E+02+9.28723974E-01 4
+C3H8 H 8C 3 G 200.00 6000.00 1000.00 1
++6.66919760E+00+2.06108751E-02-7.36512349E-06+1.18434262E-09-7.06914630E-14 2
+-1.62754066E+04-1.31943379E+01+4.21093013E+00+1.70886504E-03+7.06530164E-05 3
+-9.20060565E-08+3.64618453E-11-1.43810883E+04+5.61004451E+00 4
+IC3H7 H 7C 3 G 200.00 6000.00 1000.00 1
++5.30597255E+00+1.89854588E-02-6.74315384E-06+1.07993730E-09-6.42785036E-14 2
++7.78748910E+03-2.23233935E+00+5.47421257E+00-8.42536682E-03+8.04607759E-05 3
+-9.49287824E-08+3.59830971E-11+9.04939013E+03+3.40542323E+00 4
+NC3H7 H 7C 3 G 200.00 6000.00 1000.00 1
++6.49636579E+00+1.77337992E-02-6.24898046E-06+9.95389495E-10-5.90199770E-14 2
++8.85973885E+03-8.56389710E+00+4.08211458E+00+5.23240341E-03+5.13554466E-05 3
+-6.99343598E-08+2.81819493E-11+1.04074558E+04+8.39534919E+00 4
+C3H6 C 3H 6 G 200.00 6000.00 1000.00 1
++6.03870234E+00+1.62963931E-02-5.82130800E-06+9.35936829E-10-5.58603143E-14 2
+-7.41715057E+02-8.43825992E+00+3.83464468E+00+3.29078952E-03+5.05228001E-05 3
+-6.66251176E-08+2.63707473E-11+7.88717123E+02+7.53408013E+00 4
+C3H5-A H 5C 3 G 300.00 3000.00 1000.00 1
++6.50078770E+00+1.43247310E-02-5.67816320E-06+1.10808010E-09-9.03638870E-14 2
++1.74824490E+04-1.12430500E+01+1.36318350E+00+1.98138210E-02+1.24970600E-05 3
+-3.33555550E-08+1.58465710E-11+1.92456290E+04+1.71732140E+01 4
+C3H5-S H 5C 3 G 300.00 3000.00 1000.00 1
++5.37252810E+00+1.57805090E-02-5.99228500E-06+9.30896640E-10-3.65509660E-14 2
++2.96147600E+04-3.41864780E+00+9.13729310E-01+2.64323430E-02-1.17589500E-05 3
+-2.30356780E-09+2.77154880E-12+3.09168670E+04+1.99892690E+01 4
+C3H5-T H 5C 3 G 300.00 3000.00 1000.00 1
++5.42555280E+00+1.55110720E-02-5.66783500E-06+7.92243880E-10-1.68780340E-14 2
++2.78430270E+04-3.35271840E+00+1.73292090E+00+2.23946200E-02-5.14906110E-06 3
+-6.75964660E-09+3.82532110E-12+2.90404980E+04+1.65688780E+01 4
+C3H4-P H 4C 3 G 200.00 6000.00 1000.00 1
++6.02524000E+00+1.13365420E-02-4.02233910E-06+6.43760630E-10-3.82996350E-14 2
++1.96209420E+04-8.60437850E+00+2.68038690E+00+1.57996510E-02+2.50705960E-06 3
+-1.36576230E-08+6.61542850E-12+2.08023740E+04+9.87693510E+00 4
+C3H4-A C 3H 4 G 200.00 6000.00 1000.00 1
++6.31687220E+00+1.11337280E-02-3.96293780E-06+6.35642380E-10-3.78755400E-14 2
++2.01174950E+04-1.09957660E+01+2.61304450E+00+1.21225750E-02+1.85398800E-05 3
+-3.45251490E-08+1.53350790E-11+2.15415670E+04+1.02261390E+01 4
+C3H3 C 3H 3 G 200.00 6000.00 1000.00 1
++7.14221719E+00+7.61902211E-03-2.67460030E-06+4.24914904E-10-2.51475443E-14 2
++3.95709594E+04-1.25848690E+01+1.35110873E+00+3.27411291E-02-4.73827407E-05 3
++3.76310220E-08-1.18541128E-11+4.07679941E+04+1.52058598E+01 4
+C3H5O H 5O 1C 3 G 300.00 5000.00 1380.00 1
++1.02551752E+01+1.14983720E-02-3.84645659E-06+5.88910346E-10-3.38557923E-14 2
++6.26560810E+03-2.77655042E+01+1.19822582E+00+3.05579837E-02-1.80630276E-05 3
++4.86150033E-09-4.19854562E-13+9.58217784E+03+2.15566221E+01 4
+C3H6OOH1-2 O 2H 7C 3 G 300.00 5000.00 1402.00 1
++1.24605763E+01+1.58889526E-02-5.32742106E-06+8.15818791E-10-4.68723250E-14 2
+-4.20305196E+03-3.23858947E+01+2.87774562E+00+3.74166999E-02-2.36058063E-05 3
++7.79930860E-09-1.06042562E-12-7.82368119E+02+1.93941340E+01 4
+C3H6OOH1-3 O 2H 7C 3 G 300.00 5000.00 1384.00 1
++1.46881564E+01+1.49941200E-02-5.24056505E-06+8.25462711E-10-4.83758952E-14 2
+-4.77342863E+03-4.77984492E+01+1.88331465E+00+4.40156051E-02-3.07858462E-05 3
++1.13214862E-08-1.75323184E-12-1.68779168E+02+2.14040621E+01 4
+C3H6OOH2-1 O 2H 7C 3 G 300.00 5000.00 1407.00 1
++1.42163221E+01+1.43382450E-02-4.78004477E-06+7.29133134E-10-4.17761973E-14 2
+-5.67381620E+03-4.35770997E+01+2.09193950E+00+4.69220394E-02-3.90280831E-05 3
++1.72381453E-08-3.07968979E-12-1.89377918E+03+2.00178282E+01 4
+C3H6OOH1-2O2 O 4H 7C 3 G 300.00 5000.00 1386.00 1
++1.91759159E+01+1.59857013E-02-5.61306378E-06+8.86880495E-10-5.20877040E-14 2
+-2.64412115E+04-6.77512936E+01+2.65196584E+00+5.74638149E-02-4.72190867E-05 3
++2.05591557E-08-3.68787387E-12-2.08829371E+04+2.01547955E+01 4
+C3H6OOH1-3O2 O 4H 7C 3 G 300.00 5000.00 1382.00 1
++1.85916698E+01+1.65328553E-02-5.81343626E-06+9.19396939E-10-5.40320702E-14 2
+-2.39598698E+04-6.42544402E+01+3.14864588E+00+5.33542571E-02-4.08330611E-05 3
++1.67542220E-08-2.89288326E-12-1.85473645E+04+1.86305431E+01 4
+C3H6OOH2-1O2 O 4H 7C 3 G 300.00 5000.00 1386.00 1
++1.91759159E+01+1.59857013E-02-5.61306378E-06+8.86880495E-10-5.20877040E-14 2
+-2.64412115E+04-6.77512936E+01+2.65196584E+00+5.74638149E-02-4.72190867E-05 3
++2.05591557E-08-3.68787387E-12-2.08829371E+04+2.01547955E+01 4
+C3H6OOH2-2 O 2H 7C 3 G 300.00 5000.00 1407.00 1
++1.42163221E+01+1.43382450E-02-4.78004477E-06+7.29133134E-10-4.17761973E-14 2
+-5.67381620E+03-4.35770997E+01+2.09193950E+00+4.69220394E-02-3.90280831E-05 3
++1.72381453E-08-3.07968979E-12-1.89377918E+03+2.00178282E+01 4
+NC3H7O2H H 8O 2C 3 G 200.00 6000.00 1000.00 1
++1.04115631E+01+2.13763889E-02-7.55819870E-06+1.20207180E-09-7.11798090E-14 2
+-2.68935445E+04-2.35428789E+01+7.08977756E+00-4.86163264E-03+1.03253531E-04 3
+-1.33200956E-07+5.30799252E-11-2.44194556E+04+1.74859215E+00 4
+IC3H7O2H H 8O 2C 3 G 300.00 5000.00 1389.00 1
++1.57046391E+01+1.65924516E-02-5.77250934E-06+9.06453070E-10-5.30084111E-14 2
+-3.23268564E+04-5.71735156E+01+5.19265570E-01+5.32111228E-02-4.05156892E-05 3
++1.63346713E-08-2.73751233E-12-2.71048486E+04+2.40815065E+01 4
+NC3H7O2 H 7O 2C 3 G 200.00 6000.00 1000.00 1
++9.24489759E+00+2.14800809E-02-7.69335773E-06+1.23945160E-09-7.40911693E-14 2
+-9.81187945E+03-2.20401438E+01+6.99488957E+00-7.50355088E-03+1.01250579E-04 3
+-1.25012534E-07+4.84675978E-11-7.53004240E+03-2.03740242E+00 4
+IC3H7O2 O 2H 7C 3 G 300.00 5000.00 1388.00 1
++1.32493493E+01+1.64082190E-02-5.67432062E-06+8.87336340E-10-5.17361535E-14 2
+-1.44109855E+04-4.29066213E+01+1.49941639E+00+4.43081205E-02-3.22414456E-05 3
++1.29687136E-08-2.23370569E-12-1.02587980E+04+2.02336490E+01 4
+NC3H7O H 7C 3O 1 G 200.00 6000.00 1000.00 1
++8.38041157E+00+1.95206120E-02-6.97374143E-06+1.12144919E-09-6.69467831E-14 2
+-8.48625211E+03-1.89916219E+01+4.21934640E+00+7.38556641E-03+6.02825529E-05 3
+-8.38680247E-08+3.39623435E-11-6.23491852E+03+8.08139850E+00 4
+IC3H7O H 7O 1C 3 G 300.00 5000.00 1393.00 1
++1.23135031E+01+1.38062606E-02-4.91585531E-06+8.21075632E-10-5.07493001E-14 2
+-1.24717023E+04-4.17270532E+01-8.18260771E-01+4.68807147E-02-3.74369377E-05 3
++1.55917264E-08-2.64308171E-12-8.15153216E+03+2.79483196E+01 4
+C3H6O1-2 C 3O 1H 6 G 200.00 6000.00 1000.00 1
++8.01491079E+00+1.73919953E-02-6.26027968E-06+1.01188256E-09-6.06239111E-14 2
+-1.51980838E+04-1.88279964E+01+3.42806676E+00+6.25176642E-03+6.13196311E-05 3
+-8.60387185E-08+3.51371393E-11-1.28446646E+04+1.04244994E+01 4
+C3H6O1-3 C 3O 1H 6 G 200.00 6000.00 1000.00 1
++6.80716906E+00+1.88824545E-02-6.79082475E-06+1.09713919E-09-6.57154952E-14 2
+-1.36547629E+04-1.35382154E+01+5.15283752E+00-1.86401716E-02+1.29980652E-04 3
+-1.58629974E-07+6.20668783E-11-1.13243512E+04+4.73561224E+00 4
+C3KET12 H 6O 3C 3 G 300.00 5000.00 1388.00 1
++1.70756225E+01+1.31013491E-02-4.61949408E-06+7.31991329E-10-4.30788679E-14 2
+-4.17008637E+04-5.95778952E+01+1.10507238E+00+5.27396706E-02-4.31805774E-05 3
++1.81618292E-08-3.10535568E-12-3.63627536E+04+2.54111636E+01 4
+C3KET13 H 6O 3C 3 G 300.00 5000.00 1379.00 1
++1.58927479E+01+1.40990923E-02-4.96118851E-06+7.84992198E-10-4.61488928E-14 2
+-3.93774829E+04-5.26049341E+01+3.55241022E+00+4.18720270E-02-2.94550370E-05 3
++1.09982900E-08-1.75045977E-12-3.48902671E+04+1.42082894E+01 4
+C3H51-2,3OOH O 4H 7C 3 G 300.00 5000.00 1386.00 1
++2.12378169E+01+1.39519596E-02-4.94539222E-06+7.86381389E-10-4.63925564E-14 2
+-1.92864584E+04-7.69636561E+01+2.55619708E+00+6.13504487E-02-5.23205391E-05 3
++2.28208029E-08-4.02231508E-12-1.31353414E+04+2.21043799E+01 4
+C3H52-1,3OOH O 4H 7C 3 G 300.00 5000.00 1379.00 1
++2.02817964E+01+1.48155431E-02-5.25503386E-06+8.35963453E-10-4.93308915E-14 2
+-1.80085066E+04-7.22688262E+01+4.12253742E+00+5.19553611E-02-3.83733727E-05 3
++1.45851637E-08-2.29820536E-12-1.22759164E+04+1.48367359E+01 4
+C3H6OH H 7O 1C 3 G 300.00 5000.00 1674.00 1
++9.31287816E+00+1.67579212E-02-5.75555480E-06+9.00584362E-10-5.26566836E-14 2
+-1.20169635E+04-1.95011064E+01+1.20494302E+00+3.30857885E-02-1.63893637E-05 3
++3.18103918E-09-6.84229288E-14-9.12961720E+03+2.47155202E+01 4
+HOC3H6O2 H 7O 3C 3 G 300.00 5000.00 1397.00 1
++1.42691004E+01+1.71837825E-02-5.83419536E-06+9.00994191E-10-5.20716210E-14 2
+-3.14501750E+04-4.15295035E+01+3.06954289E+00+4.43105640E-02-3.18636260E-05 3
++1.26409287E-08-2.12751901E-12-2.75893676E+04+1.83891218E+01 4
+CH3CHCO H 4O 1C 3 G 300.00 5000.00 1400.00 1
++1.00219123E+01+9.56966300E-03-3.26221644E-06+5.05231706E-10-2.92593257E-14 2
+-1.42482738E+04-2.77829973E+01+1.48380119E+00+3.22203013E-02-2.70250033E-05 3
++1.20499164E-08-2.18365931E-12-1.15276540E+04+1.71552068E+01 4
+AC3H5OOH H 6O 2C 3 G 300.00 5000.00 1394.00 1
++1.36837693E+01+1.33968049E-02-4.61533631E-06+7.19988958E-10-4.19109988E-14 2
+-1.33165248E+04-4.31904193E+01+2.43934647E+00+4.02070638E-02-2.95322679E-05 3
++1.14715600E-08-1.85170511E-12-9.43679906E+03+1.70549969E+01 4
+C2H3OOH H 4O 2C 2 G 300.00 5000.00 1397.00 1
++1.15749951E+01+8.09909174E-03-2.81808668E-06+4.42697954E-10-2.58998042E-14 2
+-8.84852664E+03-3.43859117E+01+1.35644398E+00+3.37002447E-02-2.75988500E-05 3
++1.14222854E-08-1.89488886E-12-5.49996692E+03+1.98354466E+01 4
+CC3H4 H 4C 3 G 300.00 5000.00 1000.00 1
++6.69999310E+00+1.03573720E-02-3.45511670E-06+5.06529490E-10-2.66822760E-14 2
++3.01990510E+04-1.33787700E+01-2.46210470E-02+2.31972150E-02-1.84743570E-06 3
+-1.59275930E-08+8.68461550E-12+3.23341370E+04+2.27297620E+01 4
+H2CC H 2C 2 G 200.00 6000.00 1000.00 1
++4.27803400E+00+4.75628040E-03-1.63010090E-06+2.54628060E-10-1.48863790E-14 2
++4.83166880E+04+6.40237010E-01+3.28154830E+00+6.97647910E-03-2.38552440E-06 3
+-1.21044320E-09+9.81895450E-13+4.86217940E+04+5.92039100E+00 4
+C4H10 C 4H 10 G 300.00 5000.00 1392.00 1
++1.24940183E+01+2.17726258E-02-7.44272215E-06+1.15487023E-09-6.69712949E-14 2
+-2.18403437E+04-4.45558921E+01-4.55756824E-01+4.80323389E-02-2.65497552E-05 3
++6.92544700E-09-6.38317504E-13-1.68960904E+04+2.64870966E+01 4
+C4H8-1 H 8C 4 G 200.00 6000.00 1000.00 1
++7.86795262E+00+2.24448843E-02-8.07705438E-06+1.30179988E-09-7.77958472E-14 2
+-4.23853340E+03-1.65662549E+01+5.13226136E+00+5.33862838E-03+6.02928960E-05 3
+-7.60364685E-08+2.87324693E-11-2.16718358E+03+3.82936810E+00 4
+C4H8-2 H 8C 4 G 200.00 6000.00 1000.00 1
++7.89114667E+00+2.24970532E-02-8.12143779E-06+1.31273568E-09-7.84451632E-14 2
+-5.51643171E+03-1.76436027E+01+5.57278967E+00+3.76541017E-03+6.52226708E-05 3
+-8.30909522E-08+3.20311342E-11-3.60128327E+03+5.37796708E-01 4
+PC4H9 C 4H 9 G 300.00 5000.00 1391.00 1
++1.20779744E+01+1.96264778E-02-6.71302199E-06+1.04206424E-09-6.04469282E-14 2
++3.22550473E+03-3.87719384E+01+3.20730933E-01+4.34654454E-02-2.40584970E-05 3
++6.28245308E-09-5.80113166E-13+7.71490893E+03+2.57301085E+01 4
+SC4H9 C 4H 9 G 300.00 5000.00 1381.00 1
++1.16934304E+01+1.96402287E-02-6.65306517E-06+1.02631895E-09-5.92826294E-14 2
++1.96382429E+03-3.61626672E+01+8.49159986E-01+3.82085320E-02-1.49626797E-05 3
++2.04499211E-10+8.24254437E-13+6.38832956E+03+2.44466606E+01 4
+C4H71-1 H 7C 4 G 200.00 6000.00 1000.00 1
++8.15646382E+00+1.90308835E-02-6.73262214E-06+1.07333098E-09-6.36886441E-14 2
++2.55826427E+04-1.61428872E+01+4.19857522E+00+1.19616999E-02+4.23864923E-05 3
+-6.30299109E-08+2.59475110E-11+2.75256555E+04+8.57181248E+00 4
+C4H71-2 H 7C 4 G 200.00 6000.00 1000.00 1
++8.16688868E+00+1.95680375E-02-6.95694878E-06+1.11504166E-09-6.64079384E-14 2
++2.37537003E+04-1.77041242E+01+3.77145965E+00+1.46544157E-02+3.70080802E-05 3
+-5.72714455E-08+2.36641011E-11+2.58014506E+04+9.11906641E+00 4
+C4H71-3 H 7C 4 G 200.00 6000.00 1000.00 1
++8.08107449E+00+1.95526544E-02-6.93149115E-06+1.10889183E-09-6.59584410E-14 2
++1.22822959E+04-1.67137903E+01+4.54746808E+00+4.63771460E-03+6.61340221E-05 3
+-8.97456502E-08+3.61716165E-11+1.43843217E+04+7.30313471E+00 4
+C4H71-4 H 7C 4 G 200.00 6000.00 1000.00 1
++8.49073768E+00+1.91056974E-02-6.74370664E-06+1.07343267E-09-6.36251837E-14 2
++2.04659294E+04-1.74555814E+01+5.07355313E+00+5.27619329E-03+6.23441322E-05 3
+-8.54203458E-08+3.45890031E-11+2.24615054E+04+5.60318035E+00 4
+C4H72-2 H 7C 4 G 200.00 6000.00 1000.00 1
++7.26612168E+00+1.99858497E-02-7.12030976E-06+1.14276142E-09-6.81206632E-14 2
++2.31915554E+04-1.09941637E+01+7.61389036E+00-9.06922602E-03+8.28486476E-05 3
+-9.61203624E-08+3.59333528E-11+2.44971584E+04-5.90519467E+00 4
+C4H6 C 4H 6 G 300.00 3000.00 1000.00 1
++8.86731340E+00+1.49186700E-02-3.15487160E-06-4.18413300E-10+1.57612580E-13 2
++9.13385160E+03-2.33281710E+01+1.12844650E-01+3.43690220E-02-1.11073920E-05 3
+-9.21066600E-09+6.20651790E-12+1.18022700E+04+2.30899960E+01 4
+PC4H9O2H C 4O 2H 10 G 300.00 5000.00 1387.00 1
++1.82687454E+01+2.16940079E-02-7.54629828E-06+1.18484806E-09-6.92818498E-14 2
+-3.39441633E+04-6.84816300E+01+6.34644286E-01+6.20007657E-02-4.34477749E-05 3
++1.61407616E-08-2.53121507E-12-2.76345805E+04+2.67026090E+01 4
+SC4H9O2H C 4O 2H 10 G 300.00 5000.00 1390.00 1
++1.88587916E+01+2.11200987E-02-7.33205568E-06+1.14969842E-09-6.71656991E-14 2
+-3.64236058E+04-7.20026458E+01+3.40587657E-01+6.52078069E-02-4.84840460E-05 3
++1.91011830E-08-3.13833073E-12-3.00007960E+04+2.72835451E+01 4
+PC4H9O2 C 4O 2H 9 G 300.00 5000.00 1385.00 1
++1.57845448E+01+2.15210910E-02-7.44909017E-06+1.16558071E-09-6.79885609E-14 2
+-1.60146054E+04-5.40388525E+01+1.94363650E+00+5.15513163E-02-3.28284400E-05 3
++1.13064860E-08-1.70118606E-12-1.08358103E+04+2.13503149E+01 4
+SC4H9O2 C 4O 2H 9 G 300.00 5000.00 1389.00 1
++1.64031135E+01+2.09361006E-02-7.23393011E-06+1.13058996E-09-6.58938667E-14 2
+-1.85074517E+04-5.77331636E+01+1.32689044E+00+5.62785583E-02-4.01717786E-05 3
++1.57120967E-08-2.62948443E-12-1.31557057E+04+2.34069659E+01 4
+PC4H9O C 4H 9O 1 G 300.00 5000.00 1403.00 1
++1.49315588E+01+1.95927054E-02-6.66958265E-06+1.03222635E-09-5.97583630E-14 2
+-1.46178979E+04-5.25561919E+01-4.99964924E-01+5.37157310E-02-3.44426650E-05 3
++1.08145957E-08-1.29600044E-12-9.11644218E+03+3.09183423E+01 4
+SC4H9O C 4H 9O 1 G 300.00 5000.00 1679.00 1
++1.43323395E+01+2.04542365E-02-7.12271896E-06+1.12545447E-09-6.62697853E-14 2
+-1.60006806E+04-5.02030895E+01-4.09000900E-01+5.38573427E-02-3.39105695E-05 3
++1.01023834E-08-1.11268025E-12-1.11109627E+04+2.88554742E+01 4
+C4H7O C 4H 7O 1 G 300.00 5000.00 1395.00 1
++1.53137780E+01+1.43427017E-02-4.81625517E-06+7.39574839E-10-4.26140814E-14 2
+-7.29342884E+02-5.52937859E+01-1.60619192E+00+5.58562682E-02-4.35595767E-05 3
++1.70589279E-08-2.65635180E-12+4.85090326E+03+3.47112559E+01 4
+C4H8O1-2 C 4H 8O 1 G 300.00 5000.00 1399.00 1
++1.39197290E+01+1.85551492E-02-6.36014179E-06+9.88844645E-10-5.74274779E-14 2
+-2.09452548E+04-5.06788231E+01-2.42033073E+00+5.79308508E-02-4.30236499E-05 3
++1.66679793E-08-2.64714350E-12-1.53950880E+04+3.66425242E+01 4
+C4H8O1-3 C 4H 8O 1 G 300.00 5000.00 1371.00 1
++1.54227092E+01+1.70211052E-02-6.06347951E-06+9.67354762E-10-5.71992419E-14 2
+-2.20194174E+04-6.13871862E+01-2.53690104E+00+5.43995707E-02-3.43390305E-05 3
++1.01079922E-08-1.10262736E-12-1.52980680E+04+3.67400719E+01 4
+C4H8O1-4 C 4H 8O 1 G 300.00 5000.00 1361.00 1
++1.42360731E+01+1.81176105E-02-6.46263809E-06+1.03194372E-09-6.10557331E-14 2
+-2.99478670E+04-5.52081041E+01-3.28505561E+00+5.04800902E-02-2.51998984E-05 3
++3.65743744E-09+3.94863161E-13-2.30067422E+04+4.19349253E+01 4
+C4H8O2-3 C 4H 8O 1 G 300.00 5000.00 1384.00 1
++1.58263859E+01+1.64400938E-02-5.80680311E-06+9.21146000E-10-5.42511002E-14 2
+-2.35334573E+04-6.34844562E+01-2.98701197E+00+6.32678880E-02-5.20855777E-05 3
++2.24064364E-08-3.95416618E-12-1.71957196E+04+3.66920390E+01 4
+PC4H8OH C 4H 9O 1 G 300.00 5000.00 1503.00 1
++1.40357398E+01+1.94173155E-02-6.50230141E-06+9.95481694E-10-5.72034525E-14 2
+-1.67631276E+04-4.41162528E+01+1.20329680E+00+4.40218297E-02-2.12295754E-05 3
++3.03714993E-09+3.72027554E-13-1.18622440E+04+2.65515175E+01 4
+SC4H8OH C 4H 9O 1 G 300.00 5000.00 1392.00 1
++1.48421985E+01+1.78435665E-02-6.16709050E-06+1.00443458E-09-6.10697983E-14 2
+-1.81714637E+04-4.96976895E+01-1.04565044E+00+5.72423420E-02-4.43109142E-05 3
++1.80944672E-08-3.02843329E-12-1.28718032E+04+3.48383489E+01 4
+C4H8OH-1O2 C 4H 9O 3 G 300.00 5000.00 1396.00 1
++1.74383247E+01+2.16778876E-02-7.37772628E-06+1.14128811E-09-6.60391451E-14 2
+-3.55892620E+04-5.71247140E+01+2.88497398E+00+5.63287929E-02-3.98403503E-05 3
++1.53891643E-08-2.51940787E-12-3.05246721E+04+2.09293355E+01 4
+C4H8OH-2O2 C 4H 9O 3 G 300.00 5000.00 1399.00 1
++1.82942871E+01+2.09395389E-02-7.12096934E-06+1.10103094E-09-6.36889768E-14 2
+-3.80505855E+04-6.29154326E+01+2.10003504E+00+6.17528218E-02-4.77238541E-05 3
++1.99145784E-08-3.44416275E-12-3.26698755E+04+2.30901271E+01 4
+C4H8OOH1-1 C 4O 2H 9 G 300.00 5000.00 1379.00 1
++1.80477436E+01+1.92137176E-02-6.66503008E-06+1.04468117E-09-6.10170737E-14 2
+-1.23069570E+04-6.33580990E+01+4.36087539E+00+4.46153162E-02-2.14784588E-05 3
++3.14619957E-09+3.03152649E-13-6.89950326E+03+1.24757248E+01 4
+C4H8OOH1-2 C 4O 2H 9 G 300.00 5000.00 1393.00 1
++1.58327906E+01+2.07220436E-02-7.09869028E-06+1.10302045E-09-6.40251984E-14 2
+-8.53034314E+03-5.04399828E+01+1.51698234E+00+5.44584331E-02-3.84524319E-05 3
++1.48145523E-08-2.42809434E-12-3.49728423E+03+2.64916926E+01 4
+C4H8OOH1-3 C 4O 2H 9 G 300.00 5000.00 1377.00 1
++1.76442170E+01+1.91706536E-02-6.57168641E-06+1.02246571E-09-5.94304735E-14 2
+-1.01859280E+04-6.17115813E+01+1.94106276E+00+5.18789351E-02-3.10411683E-05 3
++8.63568881E-09-8.42841994E-13-4.34315962E+03+2.40230471E+01 4
+C4H8OOH1-4 C 4O 2H 9 G 300.00 5000.00 1386.00 1
++1.78623700E+01+1.95212501E-02-6.80351173E-06+1.06960529E-09-6.26000540E-14 2
+-8.87923008E+03-6.34393359E+01+1.45017084E+00+5.72418991E-02-4.06431218E-05 3
++1.52821793E-08-2.42123218E-12-3.02905522E+03+2.50737890E+01 4
+C4H8OOH2-1 C 4O 2H 9 G 300.00 5000.00 1390.00 1
++1.84555673E+01+1.89543719E-02-6.59381457E-06+1.03538370E-09-6.05467101E-14 2
+-1.13637100E+04-6.69839138E+01+1.01711681E+00+6.10560866E-02-4.65789185E-05 3
++1.88024138E-08-3.15265575E-12-5.37391474E+03+2.63059691E+01 4
+C4H8OOH2-2 C 4O 2H 9 G 300.00 5000.00 1383.00 1
++1.63837700E+01+2.04422768E-02-7.04524557E-06+1.09927552E-09-6.39967086E-14 2
+-1.45616229E+04-5.33147431E+01+4.40329034E+00+4.30478989E-02-2.14076129E-05 3
++4.28267268E-09-1.27804885E-13-9.79432029E+03+1.30514046E+01 4
+C4H8OOH2-3 C 4O 2H 9 G 300.00 5000.00 1387.00 1
++1.79338472E+01+1.92153623E-02-6.64486961E-06+1.03940007E-09-6.06239862E-14 2
+-1.25767913E+04-6.36194089E+01+1.45436266E+00+5.63121286E-02-3.84161425E-05 3
++1.34229297E-08-1.92382914E-12-6.68916116E+03+2.54247554E+01 4
+C4H8OOH2-4 C 4O 2H 9 G 300.00 5000.00 1390.00 1
++1.84555673E+01+1.89543719E-02-6.59381457E-06+1.03538370E-09-6.05467101E-14 2
+-1.13637100E+04-6.69839138E+01+1.01711681E+00+6.10560866E-02-4.65789185E-05 3
++1.88024138E-08-3.15265575E-12-5.37391474E+03+2.63059691E+01 4
+C4H8OOH1-2O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH1-3O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH1-4O2 C 4O 4H 9 G 300.00 5000.00 1383.00 1
++2.17116470E+01+2.11216172E-02-7.40101448E-06+1.16772959E-09-6.85139846E-14 2
+-2.80483124E+04-7.95885249E+01+3.12351717E+00+6.46725908E-02-4.78357914E-05 3
++1.89656817E-08-3.18025828E-12-2.14664300E+04+2.04322494E+01 4
+C4H8OOH2-1O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+C4H8OOH2-3O2 C 4O 4H 9 G 300.00 5000.00 1389.00 1
++2.29951044E+01+1.99238919E-02-6.96326765E-06+1.09677832E-09-6.42747281E-14 2
+-3.30095408E+04-8.71461958E+01+2.19248006E+00+7.36763430E-02-6.24428300E-05 3
++2.79371307E-08-5.10126013E-12-2.61773538E+04+2.29568752E+01 4
+C4H8OOH2-4O2 C 4O 4H 9 G 300.00 5000.00 1387.00 1
++2.23244015E+01+2.05474775E-02-7.19076348E-06+1.13361536E-09-6.64744383E-14 2
+-3.05468277E+04-8.32666070E+01+2.22400728E+00+7.04994620E-02-5.66978827E-05 3
++2.42627751E-08-4.29715459E-12-2.37391490E+04+2.38371533E+01 4
+NC4KET12 C 4H 8O 3 G 300.00 5000.00 1388.00 1
++2.02458485E+01+1.76440360E-02-6.19054598E-06+9.77688024E-10-5.74053258E-14 2
+-4.58141511E+04-7.52145443E+01+8.05387149E-01+6.52375119E-02-5.18373651E-05 3
++2.13454896E-08-3.59860255E-12-3.92395961E+04+2.84908472E+01 4
+NC4KET13 C 4H 8O 3 G 300.00 5000.00 1386.00 1
++1.96430808E+01+1.80940566E-02-6.33063232E-06+9.97860399E-10-5.85076458E-14 2
+-4.59588851E+04-7.16905094E+01+2.74883461E+00+5.86936745E-02-4.49605895E-05 3
++1.83200130E-08-3.11765369E-12-4.01065878E+04+1.88072090E+01 4
+NC4KET14 C 4H 8O 3 G 300.00 5000.00 1382.00 1
++1.90283822E+01+1.86604765E-02-6.53616227E-06+1.03102482E-09-6.04833256E-14 2
+-4.34678787E+04-6.80210373E+01+3.40797147E+00+5.37386096E-02-3.72613233E-05 3
++1.36862855E-08-2.13798779E-12-3.77919233E+04+1.65580190E+01 4
+NC4KET21 C 4H 8O 3 G 300.00 5000.00 1376.00 1
++1.86231473E+01+1.90969401E-02-6.70745998E-06+1.05994690E-09-6.22564248E-14 2
+-4.71929933E+04-6.55477892E+01+4.69785973E+00+4.83859623E-02-3.05576939E-05 3
++1.02705744E-08-1.51713483E-12-4.18665528E+04+1.06715264E+01 4
+NC4KET23 C 4H 8O 3 G 300.00 5000.00 1387.00 1
++1.99512969E+01+1.79558596E-02-6.31230878E-06+9.98217386E-10-5.86636973E-14 2
+-4.95585495E+04-7.43071328E+01+4.50575961E-01+6.48862527E-02-5.04446464E-05 3
++2.03085220E-08-3.35952497E-12-4.28779359E+04+3.00153676E+01 4
+NC4KET24 C 4H 8O 3 G 300.00 5000.00 1380.00 1
++1.87707201E+01+1.89490823E-02-6.65182145E-06+1.05080860E-09-6.17069393E-14 2
+-4.72319802E+04-6.73335107E+01+2.93007283E+00+5.39296076E-02-3.66164919E-05 3
++1.30880106E-08-1.99245456E-12-4.14118815E+04+1.86567511E+01 4
+C2H5COCH3 H 8O 1C 4 G 200.00 6000.00 1000.00 1
++9.29655016E+00+2.29172746E-02-8.22048591E-06+1.32404838E-09-7.91751980E-14 2
+-3.34442311E+04-2.04993263E+01+6.61978185E+00+8.51847835E-03+5.10322077E-05 3
+-6.58433042E-08+2.49110484E-11-3.15251691E+04-1.09485469E+00 4
+C2H5COCH2 C 4H 7O 1 G 300.00 5000.00 1383.00 1
++1.42098738E+01+1.57866459E-02-5.50529183E-06+8.65870540E-10-5.06913329E-14 2
+-1.41284951E+04-4.87132911E+01+1.54013856E+00+4.39486258E-02-2.97002421E-05 3
++1.05495313E-08-1.58598769E-12-9.50796505E+03+1.99706641E+01 4
+CH2CH2COCH3 C 4H 7O 1 G 300.00 5000.00 1380.00 1
++1.24694368E+01+1.71022143E-02-5.92156726E-06+9.26816806E-10-5.40730504E-14 2
+-1.01378242E+04-3.62186375E+01+2.40255609E+00+3.67294268E-02-1.97316510E-05 3
++5.07323216E-09-4.99655275E-13-6.15006886E+03+1.93993386E+01 4
+CH3CHCOCH3 C 4H 7O 1 G 300.00 5000.00 1384.00 1
++1.31388032E+01+1.66091073E-02-5.76924215E-06+9.04978165E-10-5.28826527E-14 2
+-1.51162098E+04-4.38876580E+01+8.12941079E-01+4.29256944E-02-2.69230252E-05 3
++8.59326807E-09-1.13188129E-12-1.05247481E+04+2.32952685E+01 4
+C2H3COCH3 C 4O 1H 6 G 300.00 5000.00 1386.00 1
++1.25571995E+01+1.49672645E-02-5.20015351E-06+8.15864365E-10-4.76824406E-14 2
+-2.14622958E+04-4.01434299E+01+2.45578501E-01+4.26432049E-02-2.91126822E-05 3
++1.03478392E-08-1.53551381E-12-1.70305379E+04+2.64430799E+01 4
+CH3CHOOCOCH3 C 4H 7O 3 G 300.00 5000.00 1393.00 1
++1.72170832E+01+1.76740453E-02-6.10387321E-06+9.53711693E-10-5.55757409E-14 2
+-3.05280370E+04-5.67959657E+01+1.59405312E+00+5.74729487E-02-4.65071459E-05 3
++2.01816805E-08-3.61175600E-12-2.53445178E+04+2.60857480E+01 4
+CH2CHOOHCOCH3 C 4H 7O 3 G 300.00 5000.00 1394.00 1
++1.93158016E+01+1.56592602E-02-5.45395604E-06+8.57160086E-10-5.01582885E-14 2
+-2.47752201E+04-6.70296581E+01+1.55204769E+00+6.08201262E-02-5.04704383E-05 3
++2.16347587E-08-3.75674081E-12-1.89563540E+04+2.71011896E+01 4
+NC3H7CHO H 8C 4O 1 G 200.00 6000.00 1000.00 1
++1.02351219E+01+2.32201057E-02-8.46144199E-06+1.37589764E-09-8.27046434E-14 2
+-3.00345804E+04-2.82583105E+01+5.30068149E+00+5.00213349E-03+8.12219686E-05 3
+-1.07815910E-07+4.25781054E-11-2.71198341E+04+4.93592991E+00 4
+NC3H7CO C 4H 7O 1 G 300.00 5000.00 1380.00 1
++1.30026331E+01+1.63104877E-02-5.57642899E-06+8.65670629E-10-5.02255667E-14 2
+-1.25523385E+04-4.02608515E+01+2.67256826E+00+3.71198825E-02-2.06862859E-05 3
++5.48873888E-09-5.35864183E-13-8.58050888E+03+1.64848950E+01 4
+C3H6CHO-1 C 4H 7O 1 G 300.00 5000.00 1379.00 1
++1.30322954E+01+1.62418373E-02-5.54388124E-06+8.59723685E-10-4.98459726E-14 2
+-6.45915975E+03-3.92399021E+01+2.67672303E+00+3.73064128E-02-2.11281405E-05 3
++5.80472681E-09-6.09688236E-13-2.49714183E+03+1.75750933E+01 4
+C3H6CHO-2 C 4H 7O 1 G 300.00 5000.00 1682.00 1
++1.11942816E+01+1.81806772E-02-6.35916662E-06+1.00727333E-09-5.93943618E-14 2
+-6.86826460E+03-2.80298956E+01+2.95067531E+00+3.34223079E-02-1.45356815E-05 3
++1.67282048E-09+2.62011555E-13-3.79034324E+03+1.74324072E+01 4
+C3H6CHO-3 C 4H 7O 1 G 300.00 5000.00 1387.00 1
++1.34301738E+01+1.62250792E-02-5.60631713E-06+8.76356273E-10-5.10864241E-14 2
+-1.13561098E+04-4.47371262E+01+1.35168659E+00+4.23714083E-02-2.69123192E-05 3
++8.70132567E-09-1.15287455E-12-6.91166610E+03+2.09381509E+01 4
+C2H5CHCO C 4O 1H 6 G 300.00 5000.00 1400.00 1
++1.34100537E+01+1.38766678E-02-4.74130143E-06+7.35504188E-10-4.26457752E-14 2
+-1.83790837E+04-4.45295352E+01+2.76600655E-01+4.82966593E-02-4.02376928E-05 3
++1.76564254E-08-3.14365357E-12-1.41717351E+04+2.47118671E+01 4
+SC3H5CHO C 4O 1H 6 G 300.00 5000.00 1390.00 1
++1.31695904E+01+1.42484434E-02-4.90843998E-06+7.65789041E-10-4.45834896E-14 2
+-2.04032613E+04-4.43673205E+01+4.35795171E-01+4.48719314E-02-3.36582931E-05 3
++1.33066870E-08-2.17839128E-12-1.60394651E+04+2.37597452E+01 4
+SC3H5CO H 5C 4O 1 G 300.00 5000.00 1392.00 1
++1.25514754E+01+1.22521948E-02-4.22382101E-06+6.59184896E-10-3.83818826E-14 2
+-4.25349795E+03-4.02864145E+01+1.74191343E+00+3.97229536E-02-3.20061901E-05 3
++1.38227925E-08-2.46272017E-12-6.64428100E+02+1.70762023E+01 4
+CH2CH2CHO H 5O 1C 3 G 300.00 5000.00 1363.00 1
++9.96855598E+00+1.61917946E-02-6.64161740E-06+1.15444520E-09-7.21981790E-14 2
+-4.16450354E+03-2.73971573E+01+8.36272659E+00-3.90712606E-03+3.59751257E-05 3
+-2.69209237E-08+5.98920261E-12-7.55243244E+02-9.53140102E+00 4
+IC4H10 H 10C 4 G 200.00 6000.00 1000.00 1
++9.76991697E+00+2.54997141E-02-9.14142587E-06+1.47328201E-09-8.80799697E-14 2
+-2.14052667E+04-3.00329670E+01+4.45479140E+00+8.26058864E-03+8.29886433E-05 3
+-1.14647616E-07+4.64569994E-11-1.84593929E+04+4.92740653E+00 4
+IC4H9 H 9C 4 G 200.00 6000.00 1000.00 1
++9.61250942E+00+2.28581786E-02-8.06391309E-06+1.28556553E-09-7.62730799E-14 2
++4.15218608E+03-2.66485099E+01+3.34476784E+00+2.31869650E-02+3.28261040E-05 3
+-5.96398514E-08+2.58980820E-11+6.66201200E+03+9.68860372E+00 4
+TC4H9 H 9C 4 G 200.00 6000.00 1000.00 1
++6.72557390E+00+2.53649194E-02-9.05306262E-06+1.45474620E-09-8.67934112E-14 2
++2.57430692E+03-8.89920414E+00+6.45910754E+00-1.02015930E-02+1.06310577E-04 3
+-1.25717030E-07+4.75543216E-11+4.43420391E+03+1.30648608E+00 4
+IC4H8 H 8C 4 G 200.00 6000.00 1000.00 1
++8.94232121E+00+2.12900129E-02-7.61851464E-06+1.22641473E-09-7.32634442E-14 2
+-6.67292929E+03-2.46775148E+01+3.30612340E+00+1.33377057E-02+5.65726066E-05 3
+-8.46898088E-08+3.52403438E-11-4.04128388E+03+9.92304633E+00 4
+IC4H7 H 7C 4 G 200.00 6000.00 1000.00 1
++8.34970451E+00+1.92508033E-02-6.81360221E-06+1.08484853E-09-6.42422082E-14 2
++1.24406647E+04-1.87060633E+01+2.38739541E+00+2.06784631E-02+2.89299685E-05 3
+-5.37553477E-08+2.35670326E-11+1.47584145E+04+1.55529104E+01 4
+TC4H9O2 H 9O 2C 4 G 200.00 6000.00 1000.00 1
++1.34566146E+01+2.40864396E-02-8.56308159E-06+1.36853372E-09-8.12706683E-14 2
+-1.89690450E+04-4.18792381E+01+4.45494881E+00+2.89185105E-02+3.68274347E-05 3
+-7.18116292E-08+3.18779709E-11-1.56103943E+04+9.17831465E+00 4
+IC4H9O2 C 4O 2H 9 G 300.00 5000.00 1387.00 1
++1.59741221E+01+2.13534740E-02-7.39001105E-06+1.15624411E-09-6.74408046E-14 2
+-1.72329304E+04-5.65302409E+01+1.21434293E+00+5.45388311E-02-3.67001593E-05 3
++1.34131042E-08-2.11741793E-12-1.18482450E+04+2.34153048E+01 4
+TC4H8O2H-I C 4O 2H 9 G 300.00 5000.00 1405.00 1
++1.78060253E+01+1.84952716E-02-6.21268423E-06+9.52753962E-10-5.48010330E-14 2
+-1.17555816E+04-6.40180236E+01+1.57469723E+00+6.04648659E-02-4.84991814E-05 3
++2.05236181E-08-3.52974722E-12-6.54190901E+03+2.16852700E+01 4
+IC4H8O2H-I C 4O 2H 9 G 300.00 5000.00 1388.00 1
++1.80246456E+01+1.93668264E-02-6.74676496E-06+1.06040129E-09-6.20506445E-14 2
+-1.00858977E+04-6.57629693E+01+9.94784793E-01+5.89212240E-02-4.25202225E-05 3
++1.61370574E-08-2.55904902E-12-4.08029057E+03+2.58950880E+01 4
+IC4H8O2H-T C 4O 2H 9 G 300.00 5000.00 1397.00 1
++1.52395012E+01+2.06496983E-02-6.94791927E-06+1.06651097E-09-6.13782754E-14 2
+-1.02271199E+04-4.70908585E+01+3.77633001E+00+4.50889269E-02-2.62423875E-05 3
++7.74736900E-09-9.11520393E-13-5.98295842E+03+1.53503399E+01 4
+IC4H8O C 4H 8O 1 G 300.00 5000.00 1399.00 1
++1.44624830E+01+1.80562860E-02-6.18008791E-06+9.59941341E-10-5.57132297E-14 2
+-2.30230616E+04-5.61190165E+01-2.97373741E+00+6.24618637E-02-5.04348211E-05 3
++2.13345360E-08-3.67382824E-12-1.73274318E+04+3.62336362E+01 4
+CC4H8O C 4H 8O 1 G 300.00 5000.00 1401.00 1
++1.35131704E+01+1.91666441E-02-6.53902359E-06+1.01366570E-09-5.87546671E-14 2
+-2.00311488E+04-5.22146967E+01-5.27768230E+00+6.52482242E-02-5.00209030E-05 3
++1.97452179E-08-3.15605813E-12-1.37706522E+04+4.78500688E+01 4
+IC4H9O H 9O 1C 4 G 200.00 6000.00 1000.00 1
++1.16309708E+01+2.47981574E-02-9.01550536E-06+1.46714720E-09-8.83214518E-14 2
+-1.37854612E+04-3.81956151E+01+3.80297372E+00+1.56874209E-02+6.81105412E-05 3
+-9.83346774E-08+3.95261902E-11-1.00832243E+04+9.78963305E+00 4
+TC4H9O H 9O 1C 4 G 200.00 6000.00 1000.00 1
++1.27371509E+01+2.33707342E-02-8.50516678E-06+1.38519973E-09-8.34398061E-14 2
+-1.66940150E+04-4.53156321E+01+2.77057100E+00+2.68033175E-02+4.12718360E-05 3
+-7.22054739E-08+3.02642276E-11-1.27079262E+04+1.21532856E+01 4
+IC4H9O2H C 4O 2H 10 G 300.00 5000.00 1388.00 1
++1.84308794E+01+2.15337606E-02-7.48623965E-06+1.17499240E-09-6.86890788E-14 2
+-3.51483277E+04-7.08030846E+01+2.44181899E-01+6.34027841E-02-4.49162379E-05 3
++1.67406877E-08-2.61216478E-12-2.86959808E+04+2.72156229E+01 4
+TC4H9O2H H 10O 2C 4 G 200.00 6000.00 1000.00 1
++1.52702114E+01+2.56462637E-02-9.02796199E-06+1.43759278E-09-8.52381573E-14 2
+-3.58539067E+04-5.44966764E+01+3.96033042E+00+4.06267078E-02+1.85652131E-05 3
+-5.72128820E-08+2.73014984E-11-3.20467014E+04+7.55565609E+00 4
+IC4H7O C 4H 7O 1 G 300.00 5000.00 1386.00 1
++1.33457615E+01+1.61218588E-02-5.44376403E-06+8.38199374E-10-4.83608280E-14 2
++6.11443644E+02-4.36818838E+01+1.74700687E+00+4.07783436E-02-2.44750243E-05 3
++7.06502958E-09-7.51570589E-13+4.86979233E+03+1.94535999E+01 4
+IC4H8OH C 4H 9O 1 G 300.00 5000.00 1376.00 1
++1.25605997E+01+2.10637488E-02-7.15019648E-06+1.10439262E-09-6.38428695E-14 2
+-1.86203249E+04-3.67889430E+01+3.29612707E+00+3.47649647E-02-1.02505618E-05 3
+-2.04641931E-09+1.18879408E-12-1.45627247E+04+1.58606320E+01 4
+IO2C4H8OH C 4H 9O 3 G 300.00 5000.00 1395.00 1
++1.79798208E+01+2.13452115E-02-7.29108198E-06+1.13068846E-09-6.55402236E-14 2
+-3.85769917E+04-6.23553522E+01+2.88826008E+00+5.80363124E-02-4.26690874E-05 3
++1.71759332E-08-2.91842186E-12-3.33881503E+04+1.83381149E+01 4
+IC3H7CHO C 4H 8O 1 G 300.00 5000.00 1391.00 1
++1.37501656E+01+1.83126722E-02-6.28572629E-06+9.78250756E-10-5.68538653E-14 2
+-3.26936771E+04-4.77270548E+01-2.73021382E-01+4.89696307E-02-3.12770049E-05 3
++1.00052945E-08-1.27512074E-12-2.76054737E+04+2.83451139E+01 4
+TC3H6CHO C 4H 7O 1 G 300.00 5000.00 1389.00 1
++1.31013047E+01+1.66391865E-02-5.68457623E-06+8.81808351E-10-5.11290161E-14 2
+-1.30638647E+04-4.42705813E+01+1.87052762E+00+4.14869677E-02-2.66815701E-05 3
++9.01531610E-09-1.27870633E-12-8.97730744E+03+1.66174178E+01 4
+IC3H7CO C 4H 7O 1 G 300.00 5000.00 1390.00 1
++1.33305736E+01+1.61873930E-02-5.56711402E-06+8.67575951E-10-5.04696549E-14 2
+-1.37307001E+04-4.33958746E+01+5.03452639E-01+4.41607510E-02-2.82139091E-05 3
++8.93548675E-09-1.11327422E-12-9.07755468E+03+2.61991461E+01 4
+IC3H6CHO C 4H 7O 1 G 300.00 5000.00 1390.00 1
++1.33102250E+01+1.62097959E-02-5.57575891E-06+8.69003718E-10-5.05554202E-14 2
+-7.62177931E+03-4.25050854E+01+5.21481767E-01+4.43114357E-02-2.86617314E-05 3
++9.30319894E-09-1.20761563E-12-2.99677086E+03+2.68182130E+01 4
+TC4H8OOH-IO2 C 4O 4H 9 G 300.00 5000.00 1386.00 1
++2.26382889E+01+2.03246143E-02-7.12390770E-06+1.12425028E-09-6.59732993E-14 2
+-3.24406877E+04-8.80387843E+01+2.17782096E+00+7.17785118E-02-5.88836046E-05 3
++2.56759171E-08-4.61678643E-12-2.55622378E+04+2.07846231E+01 4
+IC4H8OOH-IO2 C 4O 4H 9 G 300.00 5000.00 1385.00 1
++2.18969581E+01+2.09637874E-02-7.34664900E-06+1.15926594E-09-6.80225413E-14 2
+-2.92664889E+04-8.20540807E+01+2.39424426E+00+6.76572549E-02-5.17083682E-05 3
++2.10796041E-08-3.59960373E-12-2.24787495E+04+2.25029839E+01 4
+IC4H8OOH-TO2 C 4O 4H 9 G 300.00 5000.00 1386.00 1
++2.26382889E+01+2.03246143E-02-7.12390770E-06+1.12425028E-09-6.59732993E-14 2
+-3.24406877E+04-8.80387843E+01+2.17782096E+00+7.17785118E-02-5.88836046E-05 3
++2.56759171E-08-4.61678643E-12-2.55622378E+04+2.07846231E+01 4
+IC4KETII C 4H 8O 3 G 300.00 5000.00 1387.00 1
++1.95143059E+01+1.82377395E-02-6.38908606E-06+1.00801571E-09-5.91440350E-14 2
+-4.46884836E+04-7.17167584E+01+1.15501614E+00+6.10622345E-02-4.49711323E-05 3
++1.70514654E-08-2.65948602E-12-3.82747956E+04+2.69612235E+01 4
+IC4KETIT C 4H 8O 3 G 300.00 5000.00 1388.00 1
++2.09369850E+01+1.71090955E-02-6.01892169E-06+9.52353863E-10-5.59926176E-14 2
+-4.77819819E+04-8.27717611E+01+1.14243741E+00+6.33840797E-02-4.73084738E-05 3
++1.77145373E-08-2.67265475E-12-4.09366796E+04+2.34844867E+01 4
+IC4H7OH C 4H 8O 1 G 300.00 5000.00 1384.00 1
++1.35043419E+01+1.78646968E-02-5.99304371E-06+9.18717641E-10-5.28435302E-14 2
+-2.58255688E+04-4.44645715E+01+1.69099899E+00+4.27168891E-02-2.49281695E-05 3
++7.00961522E-09-7.23262828E-13-2.14512334E+04+1.99500833E+01 4
+IC4H6OH C 4H 7O 1 G 300.00 5000.00 1390.00 1
++1.40310926E+01+1.55317541E-02-5.32754961E-06+8.28785902E-10-4.81545257E-14 2
+-7.69378228E+03-4.76555306E+01+8.63371227E-01+4.68711282E-02-3.43580339E-05 3
++1.33031052E-08-2.13914975E-12-3.14948305E+03+2.29075523E+01 4
+IC3H5CHO C 4O 1H 6 G 300.00 5000.00 1396.00 1
++1.36203958E+01+1.37917192E-02-4.73370118E-06+7.36655226E-10-4.20097974E-14 2
+-2.00025274E+04-4.73184531E+01+6.27183793E-01+4.66780254E-02-3.74430631E-05 3
++1.58330542E-08-2.73952155E-12-1.57203117E+04+2.16034294E+01 4
+IC3H5CO H 5C 4O 1 G 300.00 5000.00 1397.00 1
++1.30667437E+01+1.16704244E-02-3.99106523E-06+6.19498148E-10-3.59348249E-14 2
+-3.36519344E+03-4.35803090E+01+1.85097069E+00+4.18855846E-02-3.62553731E-05 3
++1.65690659E-08-3.05850846E-12+1.70381441E+02+1.53014433E+01 4
+TC3H6OCHO C 4O 2H 7 G 300.00 5000.00 1394.00 1
++1.70371287E+01+1.54400645E-02-5.28332886E-06+8.21085347E-10-4.76898429E-14 2
+-2.75871941E+04-6.37271230E+01+3.70830259E-01+5.38475661E-02-3.82477565E-05 3
++1.32882237E-08-1.79228730E-12-2.18391262E+04+2.58142112E+01 4
+IC3H6CO C 4O 1H 6 G 300.00 5000.00 1397.00 1
++1.32548232E+01+1.40142787E-02-4.78910215E-06+7.42924342E-10-4.30737566E-14 2
+-2.00529779E+04-4.44810221E+01+2.28039055E+00+4.17016989E-02-3.25089661E-05 3
++1.37243419E-08-2.40573132E-12-1.63939712E+04+1.38187714E+01 4
+IC4H7OOH C 4O 2H 8 G 300.00 5000.00 1392.00 1
++1.69234564E+01+1.78396769E-02-6.14273279E-06+9.57895028E-10-5.57438304E-14 2
+-2.00040686E+04-5.94746070E+01+2.99117402E+00+5.03349278E-02-3.56280061E-05 3
++1.33952154E-08-2.11053409E-12-1.51095046E+04+1.54537413E+01 4
+TC3H6OHCHO C 4O 2H 8 G 300.00 5000.00 1396.00 1
++1.70788996E+01+1.74005554E-02-5.93008112E-06+9.18860909E-10-5.32512140E-14 2
+-5.38730427E+04-6.38638754E+01+2.10033500E-01+5.63086284E-02-3.95158669E-05 3
++1.37780428E-08-1.89068805E-12-4.80402638E+04+2.67836070E+01 4
+TC3H6OH H 7O 1C 3 G 300.00 5000.00 1392.00 1
++1.12222277E+01+1.36444398E-02-4.51406709E-06+7.10523275E-10-4.22690392E-14 2
+-1.75350136E+04-3.18911926E+01+1.09670360E+00+3.80727565E-02-2.75022497E-05 3
++1.07477493E-08-1.74895773E-12-1.40764487E+04+2.22475799E+01 4
+IC3H5OH H 6O 1C 3 G 300.00 5000.00 1374.00 1
++1.07381025E+01+1.31698194E-02-4.41529622E-06+6.77009837E-10-3.89608901E-14 2
+-2.47298321E+04-3.13634050E+01+1.58376391E+00+3.16215366E-02-1.73664942E-05 3
++4.18927663E-09-2.79899620E-13-2.12643496E+04+1.88313766E+01 4
+TC3H6O2CHO C 4H 7O 3 G 300.00 5000.00 1386.00 1
++1.85534443E+01+1.68774389E-02-5.90752965E-06+9.31518085E-10-5.46345187E-14 2
+-2.85447191E+04-6.82486667E+01+2.17883383E+00+5.41595832E-02-3.83435886E-05 3
++1.38308104E-08-2.04190147E-12-2.27394154E+04+2.00751264E+01 4
+TC3H6O2HCO C 4H 7O 3 G 300.00 5000.00 1387.00 1
++2.06472678E+01+1.48526500E-02-5.25104875E-06+8.33619219E-10-4.91256069E-14 2
+-2.88719869E+04-7.95951389E+01+2.03864428E+00+5.80421003E-02-4.32123528E-05 3
++1.58792094E-08-2.32209543E-12-2.24284673E+04+2.03680990E+01 4
+IC3H5O2HCHO C 4H 7O 3 G 300.00 5000.00 1387.00 1
++2.06288832E+01+1.48625539E-02-5.25305276E-06+8.33772951E-10-4.91277401E-14 2
+-2.27589076E+04-7.82962888E+01+2.05984770E+00+5.82331716E-02-4.37672100E-05 3
++1.63249918E-08-2.43462051E-12-1.63496250E+04+2.13687921E+01 4
+CH2CCH2OH H 5O 1C 3 G 300.00 5000.00 1372.00 1
++9.70702027E+00+1.13972660E-02-3.77993962E-06+5.75209277E-10-3.29229125E-14 2
++9.13212884E+03-2.25012933E+01+2.88422544E+00+2.42428071E-02-1.14152268E-05 3
++1.71775334E-09+1.42177454E-13+1.17935615E+04+1.52102335E+01 4
+TC4H8CHO C 5H 9O 1 G 300.00 5000.00 1397.00 1
++1.79663933E+01+1.94207117E-02-6.67409451E-06+1.03969221E-09-6.04702651E-14 2
+-1.33368585E+04-6.79819424E+01-9.58078294E-01+6.42003258E-02-4.70776827E-05 3
++1.75737698E-08-2.64896151E-12-6.86582501E+03+3.33781112E+01 4
+O2C4H8CHO C 5H 9O 3 G 300.00 5000.00 1395.00 1
++2.12629904E+01+2.14072282E-02-7.38342949E-06+1.15281523E-09-6.71508438E-14 2
+-3.16854524E+04-7.99828703E+01+1.91847699E+00+6.67245869E-02-4.80871046E-05 3
++1.78588690E-08-2.71163880E-12-2.49837984E+04+2.38577867E+01 4
+O2HC4H8CO C 5H 9O 3 G 300.00 5000.00 1394.00 1
++2.38219630E+01+1.91411448E-02-6.67919154E-06+1.05127303E-09-6.15876805E-14 2
+-3.23093973E+04-9.42580755E+01+1.82607262E+00+6.93466111E-02-4.93125140E-05 3
++1.69848340E-08-2.26117657E-12-2.46578311E+04+2.41167544E+01 4
+C3H5OH C 3O 1H 6 G 200.00 6000.00 1000.00 1
++8.72477114E+00+1.63942712E-02-5.90852993E-06+9.53262253E-10-5.70318010E-14 2
+-1.90496618E+04-1.97198674E+01+3.15011905E+00+1.28538274E-02+4.28438434E-05 3
+-6.67818707E-08+2.80408237E-11-1.66413668E+04+1.35066359E+01 4
+TIC4H7Q2-I C 4O 4H 9 G 300.00 5000.00 1400.00 1
++2.33848631E+01+1.87070035E-02-6.44021945E-06+1.00428123E-09-5.84468189E-14 2
+-2.61180902E+04-8.76610135E+01+4.48426361E+00+6.61225007E-02-5.27349018E-05 3
++2.18215585E-08-3.66788946E-12-1.98906586E+04+1.26719614E+01 4
+IIC4H7Q2-T C 4O 4H 9 G 300.00 5000.00 1377.00 1
++2.15070321E+01+2.05359839E-02-7.12383399E-06+1.11655053E-09-6.52112103E-14 2
+-2.51117508E+04-7.43379783E+01+8.16274487E+00+4.34463050E-02-1.76972456E-05 3
++4.88790666E-10+9.03915465E-13-1.96501749E+04+2.62067299E-01 4
+IIC4H7Q2-I C 4O 4H 9 G 300.00 5000.00 1394.00 1
++2.30500244E+01+1.92149194E-02-6.66622576E-06+1.04495725E-09-6.10370520E-14 2
+-2.32086881E+04-8.39949885E+01+4.93055661E+00+6.05819201E-02-4.23665566E-05 3
++1.49122008E-08-2.10978665E-12-1.68415495E+04+1.36228018E+01 4
+CH2O2H H 3O 2C 1 G 300.00 5000.00 1357.00 1
++9.10784249E+00+5.27260434E-03-1.88170543E-06+3.00561364E-10-1.77865959E-14 2
++3.77440183E+03-2.11741044E+01+4.47228333E+00+1.33401095E-02-5.92919725E-06 3
++4.44481025E-10+2.12699899E-13+5.67413711E+03+4.72608208E+00 4
+C4H4 C 4H 4 G 300.00 3000.00 1000.00 1
++6.65070920E+00+1.61294340E-02-7.19388750E-06+1.49817870E-09-1.18641100E-13 2
++3.11959920E+04-9.79521180E+00-1.91524790E+00+5.27508780E-02-7.16559440E-05 3
++5.50724230E-08-1.72862280E-11+3.29785040E+04+3.14199830E+01 4
+C4H3-I C 4H 3 G 300.00 3000.00 1000.00 1
++9.09781650E+00+9.22071190E-03-3.38784410E-06+4.91604980E-10-1.45297800E-14 2
++5.66005740E+04-1.98025970E+01+2.08304120E+00+4.08342740E-02-6.21596850E-05 3
++5.16793580E-08-1.70291840E-11+5.80051290E+04+1.36174620E+01 4
+NC4H3 C 4H 3 G 300.00 3000.00 1000.00 1
++5.43282790E+00+1.68609810E-02-9.43131090E-06+2.57038950E-09-2.74563090E-13 2
++6.16006800E+04-1.56739810E+00-3.16841130E-01+4.69121000E-02-6.80938100E-05 3
++5.31799210E-08-1.65230050E-11+6.24761990E+04+2.46225590E+01 4
+CH2CCHCH3 C 4H 6 G 300.00 3000.00 1000.00 1
++1.78155700E+01-4.25750200E-03+1.05118500E-05-4.47384400E-09+5.84813800E-13 2
++1.26734200E+04-6.98266200E+01+1.02346700E+00+3.49591900E-02-2.20090500E-05 3
++6.94227200E-09-7.87918700E-13+1.81179900E+04+1.97506600E+01 4
+C4H2 H 2C 4 G 300.00 3000.00 1000.00 1
++9.15763280E+00+5.54305180E-03-1.35916040E-06+1.87800750E-11+2.31895360E-14 2
++5.25880390E+04-2.37114600E+01+1.05439780E+00+4.16269600E-02-6.58717840E-05 3
++5.32570750E-08-1.66831620E-11+5.41852110E+04+1.48665910E+01 4
+C4H5 H 5C 4 G 300.00 3000.00 1000.00 1
++1.02290920E+01+9.48501380E-03-9.04064450E-08-1.25961000E-09+2.47814680E-13 2
++3.46428120E+04-2.85645290E+01-1.99329000E-02+3.80056720E-02-2.75594500E-05 3
++7.78355510E-09+4.02093830E-13+3.74962230E+04+2.43942410E+01 4
+NC4H5 H 5C 4 G 300.00 3000.00 1000.00 1
++9.85019780E+00+1.07790080E-02-1.36721250E-06-7.72005350E-10+1.83663140E-13 2
++3.88403010E+04-2.60018460E+01+1.63053210E-01+3.98301370E-02-3.40001280E-05 3
++1.51472330E-08-2.46658250E-12+4.14297660E+04+2.35361630E+01 4
+AC3H5CO H 5C 4O 1 G 200.00 6000.00 1000.00 1
++8.90967920E+00+1.34364140E-02-7.62977390E-07-1.69114810E-09+2.95540440E-13 2
++1.48898740E+03-1.79662460E+01-1.08199860E+00+3.64929760E-02-1.52255950E-05 3
+-5.62607170E-18+2.16113750E-21+3.56713230E+03+3.27142550E+01 4
+CXOCXCCJ H 5C 4O 1 G 200.00 6000.00 1000.00 1
++8.90967920E+00+1.34364140E-02-7.62977390E-07-1.69114810E-09+2.95540440E-13 2
++1.48898740E+03-1.79662460E+01-1.08199860E+00+3.64929760E-02-1.52255950E-05 3
+-5.62607170E-18+2.16113750E-21+3.56713230E+03+3.27142550E+01 4
+C4H6O25 C 4O 1H 6 G 200.00 5000.00 1000.00 1
++8.60658242E+00+2.08310051E-02-8.42229481E-06+1.56717640E-09-1.09391202E-13 2
+-1.76177415E+04-2.32464750E+01+2.67053463E+00+4.92586420E-03+8.86967406E-05 3
+-1.26219194E-07+5.23991321E-11-1.46572472E+04+1.45722395E+01 4
+C2H3CHOCH2 C 4O 1H 6 G 300.00 3000.00 1000.00 1
+-4.72093360E+00+3.91413780E-02-6.52872650E-06-7.68209500E-09+2.51473310E-12 2
++1.75352252E+03+5.17190420E+01+7.97985440E-01+3.44034320E-02-1.24598510E-05 3
+-5.18062790E-18+1.99359540E-21-6.48927540E+02+2.18896980E+01 4
+C4H5-2 H 5C 4 G 300.00 3000.00 1000.00 1
++1.45381710E+01-8.56770560E-03+2.35595240E-05-1.36763790E-08+2.44369270E-12 2
++3.32590950E+04-4.53694970E+01+2.96962800E+00+2.44422450E-02-9.12514240E-06 3
+-4.24668710E-18+1.63047280E-21+3.55033160E+04+1.20360510E+01 4
+C4H6-2 C 4H 6 G 300.00 3000.00 1000.00 1
++9.03381330E+00+8.21245100E-03+7.17539520E-06-5.88343340E-09+1.03439150E-12 2
++1.43350680E+04-2.09857620E+01+2.13733380E+00+2.64862290E-02-9.05687110E-06 3
+-5.53863970E-19+2.12818840E-22+1.57109020E+04+1.35294260E+01 4
+C4H6O23 C 4O 1H 6 G 200.00 5000.00 1000.00 1
++8.60658242E+00+2.08310051E-02-8.42229481E-06+1.56717640E-09-1.09391202E-13 2
+-1.32392815E+04-2.32464750E+01+2.67053463E+00+4.92586420E-03+8.86967406E-05 3
+-1.26219194E-07+5.23991321E-11-1.02787872E+04+1.45722395E+01 4
+AC3H5CHO C 4O 1H 6 G 298.15 3000.00 1000.00 1
++1.98794540E+01-2.09130550E-02+4.45360508E-05-2.60374870E-08+4.86836120E-12 2
+-1.95278768E+04-6.87200320E+01-1.55577660E+00+4.09640630E-02-1.69868810E-05 3
+-6.00928140E-18+2.31368530E-21-1.41394920E+04+3.74707580E+01 4
+C4H4O C 4H 4O 1 G 200.00 6000.00 1000.00 1
++9.38935003E+00+1.40291241E-02-5.07755110E-06+8.24137332E-10-4.95319963E-14 2
+-8.68241814E+03-2.79162920E+01+8.47469463E-01+1.31773796E-02+5.99735901E-05 3
+-9.71562904E-08+4.22733796E-11-5.36785445E+03+2.14945172E+01 4
+H2C4O H 2C 4O 1 G 300.00 4000.00 1000.00 1
++1.02688800E+01+4.89616400E-03-4.88508100E-07-2.70856600E-10+5.10701300E-14 2
++2.34690300E+04-2.81598500E+01+4.81097100E+00+1.31399900E-02+9.86507300E-07 3
+-6.12072000E-09+1.64000300E-12+2.54580300E+04+2.11342400E+00 4
+C6H6 C 6H 6 G 200.00 6000.00 1000.00 1
++1.10809576E+01+2.07176746E-02-7.52145991E-06+1.22320984E-09-7.36091279E-14 2
++4.30641035E+03-4.00413310E+01+5.04818632E-01+1.85020642E-02+7.38345881E-05 3
+-1.18135741E-07+5.07210429E-11+8.55247913E+03+2.16412893E+01 4
+CXCCJCXC C 5H 7 G 300.00 5000.00 1388.00 1
++1.40879309E+01+1.62398907E-02-5.64768950E-06+8.86857524E-10-5.18698993E-14 2
++1.76798698E+04-5.13735038E+01-2.94595603E+00+5.68783623E-02-4.31336497E-05 3
++1.68169537E-08-2.67926433E-12+2.35156925E+04+3.98188778E+01 4
+CY13PD C 5H 6 G 200.00 6000.00 1000.00 1
++9.97578480E+00+1.89055430E-02-6.84114610E-06+1.10993400E-09-6.66802360E-14 2
++1.10816930E+04-3.22094540E+01+8.61089570E-01+1.48040310E-02+7.21088950E-05 3
+-1.13380550E-07+4.86899720E-11+1.48017550E+04+2.13534530E+01 4
+C6H5 H 5C 6 G 200.00 6000.00 1000.00 1
++1.08444762E+01+1.73212473E-02-6.29233249E-06+1.02369961E-09-6.16216828E-14 2
++3.55598475E+04-3.53735134E+01+2.10306633E-01+2.04745507E-02+5.89743006E-05 3
+-1.01534255E-07+4.47105660E-11+3.95468722E+04+2.52910455E+01 4
+C6H2 H 2C 6 G 300.00 3000.00 1000.00 1
++1.32262810E+01+7.39043020E-03-2.27153810E-06+2.58752170E-10-5.53567410E-15 2
++8.05652580E+04-4.12011760E+01-1.59326240E+00+8.05301450E-02-1.48006490E-04 3
++1.33000310E-07-4.53323130E-11+8.32732270E+04+2.79808730E+01 4
+C6H3 H 3C 6 G 300.00 3000.00 1000.00 1
++5.81883430E+00+2.79334080E-02-1.78254270E-05+5.37025360E-09-6.17076270E-13 2
++8.51882500E+04-9.21478270E-01+1.17906190E+00+5.55473600E-02-7.30761680E-05 3
++5.20767360E-08-1.50469640E-11+8.56473120E+04+1.91791990E+01 4
+L-C6H4 H 4C 6 G 300.00 3000.00 1000.00 1
++1.27151820E+01+1.38396620E-02-4.37654400E-06+3.15416360E-10+4.66190260E-14 2
++5.70311480E+04-3.94646000E+01+2.95902250E-01+5.80533180E-02-6.77667560E-05 3
++4.33767620E-08-1.14188640E-11+6.00013710E+04+2.23189700E+01 4
+C-C6H4 H 4C 6 G 300.00 3000.00 1000.00 1
++1.38492090E+01+7.88079200E-03+1.82438360E-06-2.11691660E-09+3.74599770E-13 2
++4.74463400E+04-5.04049530E+01-3.09912680E+00+5.40305640E-02-4.08390040E-05 3
++1.07388370E-08+9.80784900E-13+5.22057110E+04+3.74152070E+01 4
+C6H5OJ H 5C 6O 1 G 200.00 6000.00 1000.00 1
++1.37221720E+01+1.74688771E-02-6.35504520E-06+1.03492308E-09-6.23410504E-14 2
++2.87274751E+02-4.88181680E+01-4.66204455E-01+4.13443975E-02+1.32412991E-05 3
+-5.72872769E-08+2.89763707E-11+4.77858391E+03+2.76990274E+01 4
+C6H5OH C 6O 1H 6 G 300.00 5000.00 1000.00 1
++1.49120730E+01+1.83781350E-02-6.19831280E-06+9.19832210E-10-4.92095650E-14 2
+-1.83751990E+04-5.59241030E+01-1.69565390E+00+5.22712990E-02-7.20240500E-06 3
+-3.58596030E-08+2.04490730E-11-1.32841210E+04+3.25421600E+01 4
+OC6H4O H 4C 6O 2 G 270.00 3000.00 1370.00 1
++1.23423732E+01+2.40612690E-02-1.16565184E-05+2.71393504E-09-2.47643065E-13 2
+-2.06185312E+04-4.08244024E+01-2.43170113E+00+6.87937608E-02-6.41382837E-05 3
++3.08126855E-08-5.99832072E-12-1.65696994E+04+3.48309430E+01 4
+O-C6H4O2 H 4C 6O 2 G 270.00 3000.00 1370.00 1
++1.23614349E+01+2.40491397E-02-1.16529057E-05+2.71332785E-09-2.47593219E-13 2
+-1.67079717E+04-4.00310857E+01-2.36179712E+00+6.86058343E-02-6.39129516E-05 3
++3.06903009E-08-5.97357785E-12-1.26704431E+04+3.53724482E+01 4
+P-C6H3O2 H 3C 6O 2 G 270.00 3000.00 1290.00 1
++1.22963699E+01+2.15055142E-02-1.07516136E-05+2.57528163E-09-2.41023652E-13 2
++1.15428998E+04-3.72584002E+01-1.57852347E+00+6.55376473E-02-6.50308721E-05 3
++3.32026554E-08-6.86665555E-12+1.51750093E+04+3.31518638E+01 4
+CY13PD5J C 5H 5 G 298.15 3500.00 969.35 1
++1.33675715E+00+3.24793912E-02-1.67587774E-05+4.03514137E-09-3.70739036E-13 2
++3.00730524E+04+1.60315806E+01-3.97555452E+00+7.41370991E-02-1.11803345E-04 3
++9.04628776E-08-2.80999747E-11+3.01769405E+04+3.67153636E+01 4
+CYPDONE C 5H 4O 1 G 200.00 6000.00 1000.00 1
++1.00806824E+01+1.61143465E-02-5.83314509E-06+9.46759320E-10-5.68972206E-14 2
++1.94364771E+03-2.94521623E+01+2.64576497E-01+3.34873827E-02+1.67738470E-06 3
+-2.96207455E-08+1.54431476E-11+5.11159287E+03+2.35409513E+01 4
+CYC5H5OJ C 5H 5O 1 G 300.00 5000.00 1392.00 1
++1.48322894E+01+1.40483376E-02-4.92302051E-06+7.77041219E-10-4.56103939E-14 2
++1.45523665E+04-5.73228191E+01-2.83112840E+00+5.67277287E-02-4.44757303E-05 3
++1.74924447E-08-2.76004847E-12+2.04992154E+04+3.69634411E+01 4
+CYC5H5OH C 5O 1H 6 G 300.00 5000.00 1398.00 1
++1.53433477E+01+1.50754059E-02-5.13553582E-06+7.95807816E-10-4.61311517E-14 2
+-1.19645453E+04-5.85204430E+01-4.26822012E+00+6.62446749E-02-5.68494038E-05 3
++2.46858526E-08-4.26820696E-12-5.75581338E+03+4.47962850E+01 4
+CYC5H4OH C 5H 5O 1 G 200.00 6000.00 1000.00 1
++1.33741248E+01+1.51996469E-02-5.45685046E-06+8.80944866E-10-5.27493258E-14 2
++2.20358027E+03-4.59569069E+01-1.28398054E+00+4.90298511E-02-1.35844414E-05 3
+-2.92983743E-08+1.90820619E-11+6.37364803E+03+3.08073591E+01 4
+CPDJONE C 5H 3O 1 G 300.00 3500.00 1500.00 1
++1.19961781E+01+1.34287065E-02-5.90045309E-06+1.22553862E-09-9.86114716E-14 2
++2.89592010E+04-4.07548249E+01-3.03242604E+00+5.43937201E-02-4.95018348E-05 3
++2.25523751E-08-4.10727920E-12+3.35644081E+04+3.78374823E+01 4
+C6H5O2 H 5C 6O 2 G 300.00 5000.00 1403.00 1
++1.67078262E+01+1.62326229E-02-5.47969630E-06+8.43510060E-10-4.86562431E-14 2
++8.14242915E+03-6.08346973E+01-2.99164672E+00+7.03857150E-02-6.34400574E-05 3
++2.91548920E-08-5.30706938E-12+1.41320240E+04+4.20142955E+01 4
+C6H5OOH C 6O 2H 6 G 300.00 5000.00 1404.00 1
++1.92317474E+01+1.63154699E-02-5.53448904E-06+8.55059974E-10-4.94583790E-14 2
+-1.01971012E+04-7.61674471E+01-4.03105975E+00+7.96101888E-02-7.21655013E-05 3
++3.27610696E-08-5.85584239E-12-3.10973017E+03+4.54324978E+01 4
+OC6H4OH H 5C 6O 2 G 300.00 5000.00 1403.00 1
++2.22718210E+01+1.21038561E-02-4.18429526E-06+6.54475399E-10-3.81746504E-14 2
+-2.34827539E+04-9.61035467E+01-8.02205657E+00+1.09403210E-01-1.23489276E-04 3
++6.56286805E-08-1.31527870E-11-1.55949156E+04+5.72175202E+01 4
+C6H4OH H 5C 6O 1 G 300.00 5000.00 1402.00 1
++1.73187560E+01+1.36366984E-02-4.68316332E-06+7.29071204E-10-4.23805358E-14 2
++1.14990276E+04-6.89986593E+01-5.99875435E+00+8.59063379E-02-9.12525636E-05 3
++4.72275890E-08-9.35576749E-12+1.78621926E+04+4.99931427E+01 4
+YOC6JDO H 5C 6O 2 G 300.00 5000.00 1400.00 1
++1.84625733E+01+1.57607263E-02-5.44671499E-06+8.51765760E-10-4.96759541E-14 2
+-1.72770226E+02-7.28742484E+01-2.65459198E+00+7.17179095E-02-6.31552372E-05 3
++2.81132946E-08-4.97463333E-12+6.45283150E+03+3.81123139E+01 4
+P-OC6H5OJ H 5C 6O 2 G 300.00 5000.00 1400.00 1
++1.82799770E+01+1.59280974E-02-5.50765220E-06+8.61649836E-10-5.02677539E-14 2
+-6.25907994E+01-7.25809444E+01-3.29683290E+00+7.27365977E-02-6.36158220E-05 3
++2.80683553E-08-4.92279426E-12+6.73402222E+03+4.09349895E+01 4
+CJCXCC#C C 5H 5 G 300.00 5000.00 1396.00 1
++1.41230912E+01+1.14233190E-02-3.95851276E-06+6.20128961E-10-3.62097887E-14 2
++4.25158384E+04-5.02942871E+01-6.16143558E-01+5.06466579E-02-4.48561743E-05 3
++2.02459419E-08-3.64542145E-12+4.71532377E+04+2.71623299E+01 4
+C5H6-L C 5H 6 G 300.00 5000.00 1372.00 1
++1.29600892E+01+1.48953758E-02-5.23622902E-06+8.27916389E-10-4.86464523E-14 2
++2.38180800E+04-4.25312093E+01+3.58448213E+00+3.24459626E-02-1.70150991E-05 3
++4.22715914E-09-4.18452556E-13+2.76514681E+04+9.60644208E+00 4
+OXCCXCCXCJ C 5H 5O 1 G 300.00 5000.00 1396.00 1
++1.62360823E+01+1.18297101E-02-4.11454219E-06+6.46026823E-10-3.77767639E-14 2
++1.93499885E+04-5.83498817E+01-5.06628841E-01+6.04671965E-02-5.97396749E-05 3
++2.96804228E-08-5.76240010E-12+2.42765544E+04+2.82994148E+01 4
+OXCJCXCCXC C 5H 5O 1 G 300.00 5000.00 1399.00 1
++1.53178248E+01+1.27352911E-02-4.35882964E-06+6.76912763E-10-3.92771371E-14 2
++7.60582726E+03-5.43599625E+01-2.18492198E-01+5.92100223E-02-5.89241174E-05 3
++2.97411920E-08-5.85244770E-12+1.20600764E+04+2.55968530E+01 4
+CJXCCXO H 3O 1C 3 G 300.00 5000.00 1402.00 1
++1.07482537E+01+6.19822688E-03-2.06130981E-06+3.14418872E-10-1.80309517E-14 2
++1.51410162E+04-3.01266033E+01+1.46654466E+00+3.23390476E-02-3.05588208E-05 3
++1.44081861E-08-2.65600505E-12+1.78850058E+04+1.80850321E+01 4
+CYC5H7U1 C 5H 7 G 300.00 5000.00 1377.00 1
++1.36630213E+01+1.68061358E-02-5.98746539E-06+9.55341072E-10-5.64951981E-14 2
++1.27238941E+04-5.46331286E+01-6.75118368E+00+6.06461693E-02-4.01260152E-05 3
++1.22051562E-08-1.33459844E-12+2.01365277E+04+5.62694938E+01 4
+CXOCCCJCXO C 5O 2H 7 G 300.00 5000.00 1375.00 1
++1.65416953E+01+1.86677673E-02-6.44836048E-06+1.00787611E-09-5.87521858E-14 2
+-2.82017168E+04-5.47258181E+01+4.88394767E+00+4.03401300E-02-1.97774150E-05 3
++3.68903501E-09-3.40202384E-14-2.35295942E+04+9.97070337E+00 4
+C*CCJC*COH C 5H 7O 1 G 300.00 5000.00 1397.00 1
++1.67465815E+01+1.58357240E-02-5.44954706E-06+8.49881387E-10-4.94743246E-14 2
+-4.30972870E+03-6.19378748E+01-2.91175436E+00+6.69362484E-02-5.71603047E-05 3
++2.48753749E-08-4.33243894E-12+1.96441523E+03+4.17454344E+01 4
+CXCCXCCJ C 5H 7 G 300.00 5000.00 1386.00 1
++1.47302883E+01+1.59030900E-02-5.57729508E-06+8.80604825E-10-5.16963733E-14 2
++1.74050791E+04-5.42670706E+01-1.60087476E+00+5.38764703E-02-3.96302225E-05 3
++1.49599474E-08-2.31995284E-12+2.31199746E+04+3.35492960E+01 4
+CXCCXCC C 5H 8 G 300.00 5000.00 1395.00 1
++1.41303131E+01+1.81877961E-02-6.19208788E-06+9.58333792E-10-5.54785472E-14 2
++2.25907168E+03-5.11705577E+01-1.19376866E+00+5.65474329E-02-4.39472481E-05 3
++1.82341266E-08-3.12226566E-12+7.36084709E+03+3.02808980E+01 4
+CXCCXCCOH C 5H 8O 1 G 300.00 5000.00 1396.00 1
++1.63079670E+01+1.79957763E-02-6.03115896E-06+9.23992259E-10-5.31254053E-14 2
+-1.58204603E+04-5.84137244E+01-5.31488384E-01+6.06983915E-02-4.81499862E-05 3
++2.00308244E-08-3.38987282E-12-1.03301302E+04+3.07961436E+01 4
+C2H3CHCHO H 5C 4O 1 G 300.00 5000.00 1385.00 1
++1.22833215E+01+1.26428506E-02-4.31034879E-06+6.68415867E-10-3.87693974E-14 2
++1.86818728E+03-3.84807909E+01-4.83886977E-01+4.23431670E-02-3.05389089E-05 3
++1.11441978E-08-1.63863920E-12+6.28635090E+03+3.00860103E+01 4
+CXOCCCXO C 4O 2H 6 G 300.00 5000.00 1382.00 1
++1.41894774E+01+1.53345510E-02-5.24594862E-06+8.14655154E-10-4.72759368E-14 2
+-4.10001835E+04-4.43771751E+01+4.21628848E+00+3.57422725E-02-2.04226185E-05 3
++5.63821367E-09-5.88888993E-13-3.72055911E+04+1.02814620E+01 4
+CXOCCCJXO H 5C 4O 2 G 300.00 5000.00 1388.00 1
++1.32138775E+01+1.37339051E-02-4.62639517E-06+7.10941370E-10-4.09538499E-14 2
+-2.16535271E+04-3.64185255E+01+4.60550978E+00+3.30498712E-02-2.13102363E-05 3
++7.37021089E-09-1.08289438E-12-1.85460831E+04+1.01599453E+01 4
+HOCO H 1C 1O 2 G 200.00 6000.00 1000.00 1
++5.39206152E+00+4.11221455E-03-1.48194900E-06+2.39875460E-10-1.43903104E-14 2
+-2.38606717E+04-2.23529091E+00+2.92207919E+00+7.62453859E-03+3.29884437E-06 3
+-1.07135205E-08+5.11587057E-12-2.30281524E+04+1.12925886E+01 4
+HOC*CC*O H 4O 2C 3 G 300.00 5000.00 1413.00 1
++1.66505478E+01+6.11745137E-03-2.09080785E-06+3.24985683E-10-1.88875073E-14 2
+-3.82179939E+04-6.36794754E+01-2.01837189E+00+6.26539783E-02-6.73359280E-05 3
++3.39430425E-08-6.48917648E-12-3.31367523E+04+3.18162860E+01 4
+HOC*CCJ*O H 3O 2C 3 G 300.00 5000.00 1414.00 1
++1.52720985E+01+5.02586331E-03-1.68408578E-06+2.58390706E-10-1.48849424E-14 2
+-1.98506828E+04-5.54641734E+01+6.07270082E-01+4.96011303E-02-5.32300885E-05 3
++2.68392951E-08-5.13094510E-12-1.58814562E+04+1.94817133E+01 4
+DHCO2J H 1O 4C 2 G 300.00 5000.00 1682.00 1
++1.09910849E+01+7.46985861E-03-2.75568271E-06+4.51353051E-10-2.72108652E-14 2
+-3.51335323E+04-2.11652231E+01+8.91497688E+00+8.60571847E-03+5.24416766E-07 3
+-2.79301331E-09+7.62963051E-13-3.40867754E+04-8.72978273E+00 4
+PBZ C 9H 12 G 300.00 3000.00 1000.00 1
++1.95645600E+01+3.37187500E-02-1.12799700E-05+1.78064900E-09-1.09008600E-13 2
+-8.66884600E+03-7.90585200E+01-4.23830000E+00+9.00641500E-02-5.33140800E-05 3
++9.88389100E-09+1.25966100E-12-1.32686300E+03+4.69942100E+01 4
+PBZJA H 11C 9 G 300.00 3000.00 1000.00 1
++2.17414800E+01+2.69099200E-02-7.90011500E-06+1.13694600E-09-6.53509500E-14 2
++1.50904300E+04-8.86894300E+01-5.10942100E+00+9.91004600E-02-8.14086200E-05 3
++3.66630800E-08-7.42305400E-12+2.29389000E+04+5.13511100E+01 4
+PBZJB H 11C 9 G 300.00 3000.00 1000.00 1
++2.11298500E+01+2.74250100E-02-8.07872700E-06+1.16627600E-09-6.72191000E-14 2
++1.47685100E+04-8.51025000E+01-4.28913500E+00+9.42193900E-02-7.34819200E-05 3
++3.08637000E-08-5.72392500E-12+2.22983600E+04+4.79078900E+01 4
+PBZJC H 11C 9 G 300.00 3000.00 1000.00 1
++2.03510200E+01+2.87417200E-02-8.63546200E-06+1.26215600E-09-7.32408800E-14 2
++8.06550600E+03-8.17730100E+01-3.78837100E+00+8.97499200E-02-6.46241400E-05 3
++2.43737900E-08-4.07184300E-12+1.53855000E+04+4.52579100E+01 4
+CR4 C 9H 10 G 300.00 5000.00 1394.00 1
++2.19853383E+01+2.70638184E-02-9.31538265E-06+1.45259764E-09-8.45413132E-14 2
++2.69366707E+03-9.24338477E+01-4.35832771E+00+9.11717963E-02-6.97871645E-05 3
++2.77223371E-08-4.50000291E-12+1.15805419E+04+4.81294035E+01 4
+C6H5C3H4 H 9C 9 G 300.00 5000.00 1393.00 1
++2.27552458E+01+2.43969901E-02-8.51385950E-06+1.33981649E-09-7.84733524E-14 2
++2.07012023E+04-9.74493675E+01-4.95799544E+00+9.40497566E-02-7.70155559E-05 3
++3.25278599E-08-5.57386852E-12+2.98543817E+04+4.96805752E+01 4
+C6H5C2H4HCO C 9O 1H 10 G 300.00 5000.00 1389.00 1
++2.45201777E+01+2.65966062E-02-9.06999913E-06+1.40649173E-09-8.15706632E-14 2
+-2.06440651E+04-1.03260879E+02-3.51452942E+00+9.44753458E-02-7.23466221E-05 3
++2.84149855E-08-4.52662508E-12-1.11972167E+04+4.63750693E+01 4
+C6H5C2H4CO H 9C 9O 1 G 300.00 5000.00 1388.00 1
++2.41401504E+01+2.44085832E-02-8.32461450E-06+1.29120181E-09-7.49030128E-14 2
+-1.69689524E+03-9.95597353E+01-2.74324766E+00+8.96773901E-02-6.92714443E-05 3
++2.73162150E-08-4.35475868E-12+7.33171062E+03+4.38474772E+01 4
+C6H5C2H2HCO H 8C 9O 1 G 300.00 5000.00 1395.00 1
++2.43396805E+01+2.29488876E-02-7.99206120E-06+1.25607828E-09-7.35059093E-14 2
+-1.03809934E+04-1.04678423E+02-4.45326828E+00+9.77441883E-02-8.40254088E-05 3
++3.68956893E-08-6.49941387E-12-1.14134809E+03+4.72765941E+01 4
+BC6H5C3H5OHA H 11C 9O 1 G 300.00 5000.00 1000.00 1
++2.17480490E+01+2.94321870E-02-8.74782750E-06+1.26976090E-09-7.33894350E-14 2
+-3.51209960E+03-8.24292140E+01-4.79796890E+00+1.06230180E-01-9.47998780E-05 3
++4.77062510E-08-1.07049510E-11+3.83612840E+03+5.43512690E+01 4
+AC6H5C3H5OHB H 11C 9O 1 G 300.00 5000.00 1000.00 1
++4.26098710E+01+1.48712080E-03-4.09507880E-08-1.60705690E-12+2.12571690E-16 2
+-1.40060860E+04-2.02498250E+02-2.81981250E+00+9.51892290E-02-7.03555420E-05 3
++2.95624110E-08-7.51497390E-12+2.12277250E+03+4.47981990E+01 4
+CC6H5C3H5OHB H 11C 9O 1 G 300.00 5000.00 1000.00 1
++4.17666890E+01+2.05666360E-03-3.44630350E-08-1.36387660E-11+1.33513310E-15 2
+-2.15295590E+04-1.98229100E+02-1.93873630E+00+8.90196640E-02-6.07336990E-05 3
++2.35852160E-08-6.15332780E-12-5.74133500E+03+4.07362980E+01 4
+BC6H5C3H5OHC H 11C 9O 1 G 300.00 5000.00 1392.00 1
++2.56278980E+01+2.71742952E-02-9.14982234E-06+1.40759294E-09-8.12078708E-14 2
+-7.96732596E+03-1.05500570E+02-5.41454336E+00+1.02219649E-01-7.80367976E-05 3
++2.99199282E-08-4.56777226E-12+2.39900315E+03+6.00533071E+01 4
+PBZOHAQJB H 11C 9O 3 G 300.00 5000.00 1000.00 1
++3.19565431E+01+2.62882126E-02-9.34949766E-06+1.49004559E-09-8.80437571E-14 2
+-2.64172679E+04-1.36826090E+02-3.17466752E+00+1.11126079E-01-8.88134603E-05 3
++3.58635381E-08-5.86576689E-12-1.44890054E+04+5.08828040E+01 4
+PBZOHBQJA H 11C 9O 3 G 300.00 5000.00 1000.00 1
++3.19565431E+01+2.62882126E-02-9.34949766E-06+1.49004559E-09-8.80437571E-14 2
+-2.64172679E+04-1.36826090E+02-3.17466752E+00+1.11126079E-01-8.88134603E-05 3
++3.58635381E-08-5.86576689E-12-1.44890054E+04+5.08828040E+01 4
+PBZOHBQJC H 11C 9O 3 G 300.00 5000.00 1395.00 1
++3.27032733E+01+2.57270580E-02-9.17338705E-06+1.46447770E-09-8.66360485E-14 2
+-2.83875449E+04-1.41158304E+02-4.44255203E+00+1.16886944E-01-9.60843767E-05 3
++3.97166890E-08-6.61490372E-12-1.59406599E+04+5.67652602E+01 4
+PBZOHCQJB H 11C 9O 3 G 300.00 5000.00 1395.00 1
++3.27032733E+01+2.57270580E-02-9.17338705E-06+1.46447770E-09-8.66360485E-14 2
+-2.83875449E+04-1.41158304E+02-4.44255203E+00+1.16886944E-01-9.60843767E-05 3
++3.97166890E-08-6.61490372E-12-1.59406599E+04+5.67652602E+01 4
+COC6H5C3H4-1 H 9C 9O 1 G 300.00 5000.00 1394.00 1
++2.51730730E+01+2.36753732E-02-8.01815748E-06+1.23843432E-09-7.16504593E-14 2
++1.04394911E+04-1.06613466E+02-6.47405067E+00+1.04577612E-01-8.77058889E-05 3
++3.70258549E-08-6.22136179E-12+2.05936790E+04+6.06489707E+01 4
+AOC6H5C3H4-2 H 9C 9O 1 G 300.00 5000.00 1000.00 1
+-3.95608520E+00+6.88598980E-02-2.88535450E-05+5.33358510E-09-3.64491610E-13 2
++2.25842190E+04+5.62221070E+01-6.92343000E+00+1.05615910E-01-8.59674400E-05 3
++2.96652800E-08-1.47172370E-12+2.03500430E+04+6.06869740E+01 4
+CH3C6H4C2H3 C 9H 10 G 300.00 5000.00 1387.00 1
++2.13664963E+01+2.79354157E-02-9.69178877E-06+1.51917696E-09-8.87326037E-14 2
++2.91092188E+03-9.00111261E+01-2.76029596E+00+8.32252436E-02-5.85472575E-05 3
++2.14521211E-08-3.26642304E-12+1.14654148E+04+4.00613508E+01 4
+HCOHCO H 2O 2C 2 G 300.00 5000.00 1000.00 1
++8.02132500E+00+7.57293100E-03-3.11667200E-06+5.86455000E-10-4.11322600E-14 2
+-2.87500500E+04-1.62478200E+01+3.36002900E+00+1.25597700E-02+1.05694200E-05 3
+-2.45037800E-08+1.10374600E-11-2.70873600E+04+9.71515000E+00 4
+PBZAOO H 11O 2C 9 G 300.00 5000.00 1395.00 1
++2.60100310E+01+3.05269833E-02-1.05277313E-05+1.64356861E-09-9.57274565E-14 2
+-5.53765496E+03-1.07121503E+02-1.92533205E+00+9.78626322E-02-7.35480328E-05 3
++2.88798372E-08-4.66324139E-12+3.98082265E+03+4.22131510E+01 4
+PBZBOO H 11O 2C 9 G 300.00 5000.00 1395.00 1
++2.61985495E+01+3.03972000E-02-1.04905146E-05+1.63861317E-09-9.54755955E-14 2
+-7.38310902E+03-1.09569753E+02-2.96923427E+00+1.01297075E-01-7.73920065E-05 3
++3.07549734E-08-5.00386878E-12+2.47883681E+03+4.61142100E+01 4
+PBZCOO H 11O 2C 9 G 300.00 5000.00 1391.00 1
++2.70881043E+01+3.01154190E-02-1.04993048E-05+1.65111529E-09-9.66567337E-14 2
+-7.00093223E+03-1.15003897E+02-4.34282012E+00+1.08344981E-01-8.70542620E-05 3
++3.65251404E-08-6.27300908E-12+3.51026948E+03+5.22250337E+01 4
+CYCLO4 C 9O 1H 10 G 300.00 5000.00 1397.00 1
++2.37726733E+01+2.89480407E-02-1.00625132E-05+1.57951207E-09-9.23531341E-14 2
+-8.37597674E+03-1.05257887E+02-8.57322587E+00+1.07325489E-01-8.30221037E-05 3
++3.25802219E-08-5.15410189E-12+2.50367023E+03+6.73411270E+01 4
+CYC3AB C 9O 1H 10 G 300.00 5000.00 1401.00 1
++2.45093593E+01+2.76102019E-02-9.53577921E-06+1.49036586E-09-8.68780051E-14 2
+-9.50038949E+03-1.06959229E+02-7.50212964E+00+1.09277846E-01-9.04022957E-05 3
++3.82180610E-08-6.49216399E-12+8.63865971E+02+6.24118032E+01 4
+CYC3CB C 9O 1H 10 G 300.00 5000.00 1400.00 1
++2.51843400E+01+2.72247476E-02-9.44515572E-06+1.48069215E-09-8.64976604E-14 2
+-1.13678642E+04-1.12095000E+02-8.71622530E+00+1.14800670E-01-9.74375757E-05 3
++4.20587977E-08-7.26758241E-12-4.94636085E+02+6.68959615E+01 4
+PBOOHA-B H 11O 2C 9 G 300.00 5000.00 1390.00 1
++2.84279465E+01+2.72337866E-02-9.23504153E-06+1.42727744E-09-8.26017630E-14 2
++8.89160247E+01-1.17892351E+02-2.13910763E+00+9.88691816E-02-7.22123037E-05 3
++2.60613250E-08-3.69502884E-12+1.05104962E+04+4.59079604E+01 4
+PBOOHAOOB H 11O 4C 9 G 300.00 5000.00 1397.00 1
++3.17911704E+01+2.99725600E-02-1.03622607E-05+1.62055740E-09-9.45058111E-14 2
+-1.99178324E+04-1.32067455E+02-3.31956743E-01+1.10717564E-01-8.94221948E-05 3
++3.73011122E-08-6.30733218E-12-9.34685928E+03+3.84065028E+01 4
+PBKETAB O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHA-C H 11O 2C 9 G 300.00 5000.00 1393.00 1
++2.91040521E+01+2.79063105E-02-9.72230086E-06+1.52835255E-09-8.94514518E-14 2
+-6.08616812E+03-1.25795788E+02-7.30519347E-01+9.93024480E-02-7.55184591E-05 3
++2.93199764E-08-4.62241121E-12+4.08038449E+03+3.37916753E+01 4
+PBOOHAOOC H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.54467808E+01+2.76200740E-02-9.72222953E-06+1.53890595E-09-9.05024965E-14 2
+-1.99976341E+04-1.54316732E+02-7.54324990E-01+1.18518598E-01-9.86235689E-05 3
++4.16428164E-08-7.07876652E-12-8.08039201E+03+3.78275405E+01 4
+PBKETAC O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHB-A H 11O 2C 9 G 300.00 5000.00 1397.00 1
++2.82009481E+01+2.85053616E-02-9.89144729E-06+1.55082497E-09-9.06001651E-14 2
+-2.24733750E+02-1.18954677E+02-3.09478849E+00+1.05268259E-01-8.26470768E-05 3
++3.31800057E-08-5.39016538E-12+1.02326139E+04+4.77507684E+01 4
+PBOOHBOOA H 11O 4C 9 G 300.00 5000.00 1397.00 1
++3.17911704E+01+2.99725600E-02-1.03622607E-05+1.62055740E-09-9.45058111E-14 2
+-1.99178324E+04-1.32067455E+02-3.31956743E-01+1.10717564E-01-8.94221948E-05 3
++3.73011122E-08-6.30733218E-12-9.34685928E+03+3.84065028E+01 4
+PBKETBA O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHB-C H 11O 2C 9 G 300.00 5000.00 1393.00 1
++2.92702523E+01+2.78205937E-02-9.70565280E-06+1.52715177E-09-8.94397508E-14 2
+-7.92583662E+03-1.28124201E+02-1.70685061E+00+1.02447570E-01-7.89573884E-05 3
++3.09692133E-08-4.91831549E-12+2.56795852E+03+3.73779076E+01 4
+PBOOHBOOC H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.26114971E+01+2.98421667E-02-1.04450319E-05+1.64697489E-09-9.65961733E-14 2
+-1.96025729E+04-1.38284141E+02-2.42273542E+00+1.18795040E-01-9.91763669E-05 3
++4.27135056E-08-7.45360698E-12-8.09556849E+03+4.74380127E+01 4
+PBKETBC O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHC-A H 11O 2C 9 G 300.00 5000.00 1392.00 1
++2.91409134E+01+2.81242141E-02-9.85392586E-06+1.55488258E-09-9.12416112E-14 2
++1.45924910E+02-1.23558454E+02-4.55893725E+00+1.12716392E-01-9.28579156E-05 3
++3.92369979E-08-6.71150107E-12+1.12775635E+04+5.53773386E+01 4
+PBOOHCOOA H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.26114971E+01+2.98421667E-02-1.04450319E-05+1.64697489E-09-9.65961733E-14 2
+-1.96025729E+04-1.37187010E+02-2.42273542E+00+1.18795040E-01-9.91763669E-05 3
++4.27135056E-08-7.45360698E-12-8.09556849E+03+4.85351441E+01 4
+PBKETCA O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOOHC-B H 11O 2C 9 G 300.00 5000.00 1390.00 1
++2.87563540E+01+2.81224913E-02-9.78337876E-06+1.53680000E-09-8.99094032E-14 2
+-1.10863041E+03-1.21632364E+02-4.46275035E+00+1.09332437E-01-8.64790474E-05 3
++3.47818901E-08-5.65192556E-12+1.00175698E+04+5.54158315E+01 4
+PBOOHCOOB H 11O 4C 9 G 300.00 5000.00 1392.00 1
++3.26114971E+01+2.98421667E-02-1.04450319E-05+1.64697489E-09-9.65961733E-14 2
+-1.96025729E+04-1.38284141E+02-2.42273542E+00+1.18795040E-01-9.91763669E-05 3
++4.27135056E-08-7.45360698E-12-8.09556849E+03+4.74380127E+01 4
+PBKETCB O 3C 9H 10 G 300.00 5000.00 1395.00 1
++3.11091786E+01+2.64910219E-02-9.30079088E-06+1.46974586E-09-8.63374688E-14 2
+-3.63987236E+04-1.34379396E+02-5.52467783E+00+1.20021204E-01-1.02090372E-04 3
++4.37539802E-08-7.49575374E-12-2.45392102E+04+5.94361608E+01 4
+PBOJ H 11C 9O 1 G 300.00 5000.00 1394.00 1
++2.61696989E+01+2.76087733E-02-9.39211027E-06+1.45417431E-09-8.42488163E-14 2
+-5.38394374E+03-1.12912464E+02-6.63967839E+00+1.09920176E-01-8.89776285E-05 3
++3.65976463E-08-6.03700490E-12+5.32952328E+03+6.10964475E+01 4
+PBO C 9O 1H 10 G 300.00 5000.00 1388.00 1
++2.36210601E+01+2.82169638E-02-9.80624365E-06+1.53894142E-09-8.99632231E-14 2
+-2.40798552E+04-9.93510220E+01-2.67701312E+00+8.94321050E-02-6.47935290E-05 3
++2.43148248E-08-3.76412635E-12-1.48801436E+04+4.20409156E+01 4
+PBENOOH O 2C 9H 10 G 300.00 5000.00 1395.00 1
++2.74653127E+01+2.70162692E-02-9.37831272E-06+1.47065698E-09-8.59253330E-14 2
+-9.53405041E+03-1.16525705E+02-1.97671762E+00+1.01122707E-01-8.22697399E-05 3
++3.46107359E-08-5.90945733E-12+1.68190619E+02+3.97244489E+01 4
+AC6H5C4H8 H 13C 10 G 300.00 5000.00 1395.00 1
++2.63195668E+01+3.22014066E-02-1.09791469E-05+1.70158839E-09-9.86239739E-14 2
++9.94241670E+03-1.13082008E+02-5.45675956E+00+1.09122905E-01-8.25272801E-05 3
++3.20915301E-08-5.06141805E-12+2.06406285E+04+5.65096112E+01 4
+BC6H5C4H8 H 13C 10 G 300.00 5000.00 1388.00 1
++2.62094455E+01+3.18543753E-02-1.07757053E-05+1.66215541E-09-9.60490097E-14 2
++8.53697685E+03-1.12088233E+02-4.89499625E+00+1.03472638E-01-7.25748996E-05 3
++2.53788579E-08-3.50769312E-12+1.93152099E+04+5.51207574E+01 4
+CC6H5C4H8 H 13C 10 G 300.00 5000.00 1388.00 1
++2.62094455E+01+3.18543753E-02-1.07757053E-05+1.66215541E-09-9.60490097E-14 2
++8.53697685E+03-1.12088233E+02-4.89499625E+00+1.03472638E-01-7.25748996E-05 3
++2.53788579E-08-3.50769312E-12+1.93152099E+04+5.51207574E+01 4
+DC6H5C4H8 H 13C 10 G 300.00 5000.00 1393.00 1
++2.70273993E+01+3.21704122E-02-1.10893400E-05+1.73097280E-09-1.00815459E-13 2
++2.35147019E+03-1.20696474E+02-3.97290080E+00+1.05990334E-01-7.87536684E-05 3
++3.01569625E-08-4.71350779E-12+1.29600077E+04+4.52696443E+01 4
+BC6H5C4H6-3 H 11C 10 G 300.00 5000.00 1391.00 1
++2.47070740E+01+2.90264191E-02-9.91397307E-06+1.53860047E-09-8.92709004E-14 2
++2.23032232E+04-1.04039398E+02-4.37243296E+00+9.78810028E-02-7.21054814E-05 3
++2.70409791E-08-4.09629384E-12+3.22392342E+04+5.16926203E+01 4
+CC6H5C4H6-1 H 11C 10 G 300.00 5000.00 1390.00 1
++2.51229558E+01+2.81005272E-02-9.48298210E-06+1.46083903E-09-8.43531064E-14 2
++2.44662758E+04-1.05142326E+02-5.17174396E+00+9.99499536E-02-7.39211502E-05 3
++2.74237635E-08-4.04934030E-12+3.47360317E+04+5.69401550E+01 4
+DC6H5C4H6-1 H 11C 10 G 300.00 5000.00 1394.00 1
++2.59340983E+01+2.84263046E-02-9.79818843E-06+1.52952343E-09-8.90909075E-14 2
++1.82936918E+04-1.13694812E+02-4.31081400E+00+1.02842357E-01-8.07007396E-05 3
++3.25777716E-08-5.33680982E-12+2.83870153E+04+4.73493640E+01 4
+C6H5C4H5 C 10H 10 G 300.00 5000.00 1398.00 1
++2.51177291E+01+2.71079788E-02-9.36415847E-06+1.46361840E-09-8.53182081E-14 2
++1.23688395E+04-1.10413157E+02-6.13672076E+00+1.09990763E-01-9.57033138E-05 3
++4.29399928E-08-7.72933039E-12+2.22598478E+04+5.39819170E+01 4
+C6H5C4H8OJA H 13C 10O 1 G 300.00 5000.00 1394.00 1
++2.84513486E+01+3.32063635E-02-1.14739814E-05+1.79387989E-09-1.04595186E-13 2
+-7.55212227E+03-1.22499678E+02-5.30615619E+00+1.15113502E-01-8.83561440E-05 3
++3.49764035E-08-5.64138940E-12+3.84810478E+03+5.76884946E+01 4
+C6H5C4H8OJB H 13C 10O 1 G 300.00 5000.00 1397.00 1
++2.89950874E+01+3.27117416E-02-1.12953327E-05+1.76509703E-09-1.02881048E-13 2
+-9.85437258E+03-1.26409892E+02-5.76019225E+00+1.19264276E-01-9.50280784E-05 3
++3.90501895E-08-6.50879318E-12+1.65099626E+03+5.82986152E+01 4
+C6H5C4H8OJC H 13C 10O 1 G 300.00 5000.00 1397.00 1
++2.89950874E+01+3.27117416E-02-1.12953327E-05+1.76509703E-09-1.02881048E-13 2
+-9.85437258E+03-1.26409892E+02-5.76019225E+00+1.19264276E-01-9.50280784E-05 3
++3.90501895E-08-6.50879318E-12+1.65099626E+03+5.82986152E+01 4
+C6H5C4H8OJD H 13C 10O 1 G 300.00 5000.00 1394.00 1
++2.94596622E+01+3.21058244E-02-1.10459202E-05+1.72245524E-09-1.00263509E-13 2
+-9.58226117E+03-1.29304628E+02-6.76952885E+00+1.21689929E-01-9.65915717E-05 3
++3.91507891E-08-6.40399151E-12+2.42637877E+03+6.33845304E+01 4
+C6H5C4H8QJA H 13C 10O 2 G 300.00 5000.00 1392.00 1
++2.90162301E+01+3.52898469E-02-1.21938858E-05+1.90620549E-09-1.11128246E-13 2
+-9.68367141E+03-1.21895498E+02-2.28279674E+00+1.08214505E-01-7.75111304E-05 3
++2.87453483E-08-4.38354548E-12+1.23163982E+03+4.63125321E+01 4
+C6H5C4H8QJB H 13C 10O 2 G 300.00 5000.00 1392.00 1
++3.06747172E+01+3.38518540E-02-1.17861965E-05+1.85183804E-09-1.08339822E-13 2
+-1.06726621E+04-1.31483945E+02-3.91962734E+00+1.19337110E-01-9.46664205E-05 3
++3.92235446E-08-6.66222898E-12+9.49580676E+02+5.27803492E+01 4
+C6H5C4H8QJC H 13C 10O 2 G 300.00 5000.00 1392.00 1
++2.90162301E+01+3.52898469E-02-1.21938858E-05+1.90620549E-09-1.11128246E-13 2
+-9.68367141E+03-1.21895498E+02-2.28279674E+00+1.08214505E-01-7.75111304E-05 3
++2.87453483E-08-4.38354548E-12+1.23163982E+03+4.63125321E+01 4
+C6H5C4H8QJD H 13C 10O 2 G 300.00 5000.00 1384.00 1
++3.29433924E+01+3.24682623E-02-1.24870478E-05+2.07708155E-09-1.25876772E-13 2
+-1.26391156E+04-1.46881012E+02-3.28758026E+00+1.13009541E-01-8.07422394E-05 3
++2.85337544E-08-4.11461923E-12+4.66204317E+02+4.93485667E+01 4
+BBZQA C 10O 2H 14 G 300.00 5000.00 1392.00 1
++3.20065100E+01+3.52390466E-02-1.22591795E-05+1.92517610E-09-1.12592895E-13 2
+-2.78611688E+04-1.39446935E+02-4.34731205E+00+1.23976480E-01-9.66502396E-05 3
++3.90676024E-08-6.45939531E-12-1.55834398E+04+5.45018094E+01 4
+BBZQB C 10O 2H 14 G 300.00 5000.00 1394.00 1
++3.26656531E+01+3.46918358E-02-1.20729164E-05+1.89633800E-09-1.10922550E-13 2
+-2.97300156E+04-1.43770581E+02-5.67396621E+00+1.32067178E-01-1.09151697E-04 3
++4.67567747E-08-8.12851930E-12-1.71474860E+04+5.94498425E+01 4
+BBZQC C 10O 2H 14 G 300.00 5000.00 1394.00 1
++3.26656531E+01+3.46918358E-02-1.20729164E-05+1.89633800E-09-1.10922550E-13 2
+-2.97300156E+04-1.43770581E+02-5.67396621E+00+1.32067178E-01-1.09151697E-04 3
++4.67567747E-08-8.12851930E-12-1.71474860E+04+5.94498425E+01 4
+BBZQD C 10O 2H 14 G 300.00 5000.00 1392.00 1
++3.27472154E+01+3.48071628E-02-1.21549070E-05+1.91364021E-09-1.12115639E-13 2
+-2.93529434E+04-1.44602154E+02-6.14874040E+00+1.32282089E-01-1.07905808E-04 3
++4.55411998E-08-7.81742762E-12-1.64555397E+04+6.20355219E+01 4
+BBZQDRC H 13C 10O 2 G 300.00 5000.00 1378.00 1
++3.50019111E+01+2.87252676E-02-1.02736005E-05+1.64342241E-09-9.73577978E-14 2
+-6.67463944E+03-1.55090999E+02-4.16103787E+00+1.18012012E-01-8.70718641E-05 3
++3.13566089E-08-4.47720363E-12+7.07215874E+03+5.59040844E+01 4
+BBZQDRB H 13C 10O 2 G 300.00 5000.00 1378.00 1
++3.50019111E+01+2.87252676E-02-1.02736005E-05+1.64342241E-09-9.73577978E-14 2
+-6.67463944E+03-1.55090999E+02-4.16103787E+00+1.18012012E-01-8.70718641E-05 3
++3.13566089E-08-4.47720363E-12+7.07215874E+03+5.59040844E+01 4
+BBZQDRA H 13C 10O 2 G 300.00 5000.00 1386.00 1
++3.93762569E+01+2.25455378E-02-8.16428066E-06+1.31681682E-09-7.84576081E-14 2
+-6.62647344E+03-1.78777565E+02-5.83750920E+00+1.31086773E-01-1.06311159E-04 3
++4.09901183E-08-6.12537343E-12+8.47625294E+03+6.25071188E+01 4
+BBZQCRD H 13C 10O 2 G 300.00 5000.00 1393.00 1
++3.24461397E+01+3.23001850E-02-1.12422304E-05+1.76615872E-09-1.03324222E-13 2
+-1.20253210E+04-1.43752893E+02-1.91152707E+00+1.14563903E-01-8.70814451E-05 3
++3.38034613E-08-5.32782390E-12-3.24309622E+02+4.00092596E+01 4
+BBZQCRB H 13C 10O 2 G 300.00 5000.00 1392.00 1
++3.15907994E+01+3.19126011E-02-1.08769101E-05+1.68615455E-09-9.77710911E-14 2
+-5.77960555E+03-1.34844191E+02-3.34238809E+00+1.14287503E-01-8.41507689E-05 3
++3.08820530E-08-4.49258656E-12+6.10816487E+03+5.22195676E+01 4
+BBZQCRA H 13C 10O 2 G 300.00 5000.00 1396.00 1
++3.13658330E+01+3.30084390E-02-1.14392043E-05+1.79189327E-09-1.04617323E-13 2
+-4.32228533E+03-1.33429077E+02-3.26166239E+00+1.17215948E-01-9.05288848E-05 3
++3.58767309E-08-5.77209934E-12+7.33468909E+03+5.13045425E+01 4
+BBZQBRD H 13C 10O 2 G 300.00 5000.00 1393.00 1
++3.24461397E+01+3.23001850E-02-1.12422304E-05+1.76615872E-09-1.03324222E-13 2
+-1.20253210E+04-1.43752893E+02-1.91152707E+00+1.14563903E-01-8.70814451E-05 3
++3.38034613E-08-5.32782390E-12-3.24309622E+02+4.00092596E+01 4
+BBZQBRC H 13C 10O 2 G 300.00 5000.00 1392.00 1
++3.15907994E+01+3.19126011E-02-1.08769101E-05+1.68615455E-09-9.77710911E-14 2
+-5.77960555E+03-1.34844191E+02-3.34238809E+00+1.14287503E-01-8.41507689E-05 3
++3.08820530E-08-4.49258656E-12+6.10816487E+03+5.22195676E+01 4
+BBZQBRA H 13C 10O 2 G 300.00 5000.00 1396.00 1
++3.13658330E+01+3.30084390E-02-1.14392043E-05+1.79189327E-09-1.04617323E-13 2
+-4.32228533E+03-1.33429077E+02-3.26166239E+00+1.17215948E-01-9.05288848E-05 3
++3.58767309E-08-5.77209934E-12+7.33468909E+03+5.13045425E+01 4
+BBZQARD H 13C 10O 2 G 300.00 5000.00 1390.00 1
++3.20992779E+01+3.26909419E-02-1.13986543E-05+1.79285634E-09-1.04971900E-13 2
+-1.02286452E+04-1.40509019E+02-1.02735642E+00+1.09403500E-01-7.91296498E-05 3
++2.89834038E-08-4.30121866E-12+1.32154441E+03+3.76064691E+01 4
+BBZQARC H 13C 10O 2 G 300.00 5000.00 1403.00 1
++2.93863915E+01+3.42926490E-02-1.12686664E-05+1.70423736E-09-9.71300419E-14 2
+-2.98333233E+03-1.20570493E+02-2.91760286E+00+1.11777644E-01-8.11444186E-05 3
++2.97737719E-08-4.32521629E-12+7.80993959E+03+5.18326248E+01 4
+BBZQARB H 13C 10O 2 G 300.00 5000.00 1403.00 1
++2.93863915E+01+3.42926490E-02-1.12686664E-05+1.70423736E-09-9.71300419E-14 2
+-2.98333233E+03-1.20570493E+02-2.91760286E+00+1.11777644E-01-8.11444186E-05 3
++2.97737719E-08-4.32521629E-12+7.80993959E+03+5.18326248E+01 4
+BBZQDQJC H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQDQJB H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQDQJA H 13C 10O 4 G 300.00 5000.00 1401.00 1
++3.27099760E+01+3.80904015E-02-1.29667781E-05+2.00644744E-09-1.16130582E-13 2
+-2.22183264E+04-1.35577415E+02-2.25889265E+00+1.30180388E-01-1.08410677E-04 3
++4.77034624E-08-8.51924644E-12-1.10593617E+04+4.86268822E+01 4
+BBZQCQJD H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQCQJB H 13C 10O 4 G 300.00 5000.00 1399.00 1
++3.53134294E+01+3.40723317E-02-1.17486465E-05+1.83410555E-09-1.06825799E-13 2
+-2.58170871E+04-1.50944081E+02-1.37700840E+00+1.27795763E-01-1.05200438E-04 3
++4.47788240E-08-7.70670237E-12-1.38915124E+04+4.32385702E+01 4
+BBZQCQJA H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZQBQJD H 13C 10O 4 G 300.00 5000.00 1394.00 1
++3.61027915E+01+3.40077547E-02-1.18624314E-05+1.86619563E-09-1.09279047E-13 2
+-2.54960378E+04-1.55903949E+02-3.49701990E+00+1.36010314E-01-1.15199287E-04 3
++5.03824666E-08-8.90327014E-12-1.26357910E+04+5.35021839E+01 4
+BBZQBQJC H 13C 10O 4 G 300.00 5000.00 1399.00 1
++3.53134294E+01+3.40723317E-02-1.17486465E-05+1.83410555E-09-1.06825799E-13 2
+-2.58170871E+04-1.50944081E+02-1.37700840E+00+1.27795763E-01-1.05200438E-04 3
++4.47788240E-08-7.70670237E-12-1.38915124E+04+4.32385702E+01 4
+BBZQBQJA H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZQAQJD H 13C 10O 4 G 300.00 5000.00 1401.00 1
++3.27099760E+01+3.80904015E-02-1.29667781E-05+2.00644744E-09-1.16130582E-13 2
+-2.22183264E+04-1.35577415E+02-2.25889265E+00+1.30180388E-01-1.08410677E-04 3
++4.77034624E-08-8.51924644E-12-1.10593617E+04+4.86268822E+01 4
+BBZQAQJC H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZQAQJB H 13C 10O 4 G 300.00 5000.00 1407.00 1
++3.27637540E+01+3.69832044E-02-1.24477722E-05+1.91145244E-09-1.10042645E-13 2
+-2.28860999E+04-1.35410791E+02-8.01473363E-01+1.24858677E-01-1.02132064E-04 3
++4.39109182E-08-7.64141685E-12-1.22166696E+04+4.14259331E+01 4
+BBZOCQD C 10H 12O 3 G 300.00 5000.00 1391.00 1
++3.35272823E+01+3.17155615E-02-1.11151484E-05+1.75414800E-09-1.02943293E-13 2
+-4.26373309E+04-1.44609387E+02-4.33502426E+00+1.28416013E-01-1.08313643E-04 3
++4.71152301E-08-8.29434144E-12-3.02459913E+04+5.59244546E+01 4
+BBZOBQD C 10H 12O 3 G 300.00 5000.00 1389.00 1
++3.32203594E+01+3.20804742E-02-1.12652374E-05+1.78018888E-09-1.04568173E-13 2
+-4.26270615E+04-1.43078260E+02-3.53491176E+00+1.22738370E-01-9.88568978E-05 3
++4.11083699E-08-6.97356018E-12-3.02793303E+04+5.27289246E+01 4
+BBZOAQD C 10H 12O 3 G 300.00 5000.00 1390.00 1
++3.34678308E+01+3.18186095E-02-1.11628270E-05+1.76289371E-09-1.03506517E-13 2
+-3.88627053E+04-1.43715988E+02-2.98711536E+00+1.22230054E-01-9.90292264E-05 3
++4.14257145E-08-7.06013074E-12-2.66697555E+04+5.03079159E+01 4
+BBZODQC C 10H 12O 3 G 300.00 5000.00 1393.00 1
++3.42579373E+01+3.10810453E-02-1.08939677E-05+1.71944686E-09-1.00917661E-13 2
+-1.29900278E+04-1.49888746E+02-4.64180376E+00+1.30016034E-01-1.09306832E-04 3
++4.69584248E-08-8.13062352E-12-2.82058740E+02+5.61786177E+01 4
+BBZOBQC C 10H 12O 3 G 300.00 5000.00 1392.00 1
++3.36734804E+01+3.15898633E-02-1.10723623E-05+1.74760322E-09-1.02569998E-13 2
+-4.26116369E+04-1.45792573E+02-4.76743980E+00+1.28051250E-01-1.05570223E-04 3
++4.45316371E-08-7.59402941E-12-2.99240412E+04+5.83058545E+01 4
+BBZOAQC C 10H 12O 3 G 300.00 5000.00 1392.00 1
++3.33806026E+01+3.16761016E-02-1.10642378E-05+1.74223753E-09-1.02086934E-13 2
+-3.92264996E+04-1.42826031E+02-2.46304489E+00+1.21819085E-01-1.00002241E-04 3
++4.24577272E-08-7.32586988E-12-2.73697549E+04+4.74892243E+01 4
+BBZODQB C 10H 12O 3 G 300.00 5000.00 1391.00 1
++3.36726156E+01+3.15259909E-02-1.10345070E-05+1.73992324E-09-1.02047241E-13 2
+-1.33627844E+04-1.46053045E+02-2.68620243E+00+1.23388659E-01-1.02246011E-04 3
++4.37989670E-08-7.61792966E-12-1.36674405E+03+4.68663270E+01 4
+BBZOCQB C 10H 12O 3 G 300.00 5000.00 1391.00 1
++3.35272823E+01+3.17155615E-02-1.11151484E-05+1.75414800E-09-1.02943293E-13 2
+-4.26373309E+04-1.44609387E+02-4.33502426E+00+1.28416013E-01-1.08313643E-04 3
++4.71152301E-08-8.29434144E-12-3.02459913E+04+5.59244546E+01 4
+BBZOAQB C 10H 12O 3 G 300.00 5000.00 1394.00 1
++3.39473225E+01+3.12721509E-02-1.09433590E-05+1.72540007E-09-1.01192143E-13 2
+-3.88495215E+04-1.46562230E+02-4.28671761E+00+1.27882526E-01-1.06253311E-04 3
++4.51440838E-08-7.74018747E-12-2.63056046E+04+5.61859706E+01 4
+BBZODQA C 10H 12O 3 G 300.00 5000.00 1389.00 1
++3.30876745E+01+3.20379866E-02-1.12147834E-05+1.76846890E-09-1.03726547E-13 2
+-1.10281184E+04-1.42562236E+02-2.23307538E+00+1.19350042E-01-9.58658986E-05 3
++3.99355328E-08-6.79805521E-12+8.27835480E+02+4.55496707E+01 4
+BBZOCQA C 10H 12O 3 G 300.00 5000.00 1388.00 1
++3.23768675E+01+3.26306098E-02-1.14160290E-05+1.79949197E-09-1.05515262E-13 2
+-4.06811904E+04-1.37391918E+02-2.05769135E+00+1.18288570E-01-9.56214578E-05 3
++4.05181941E-08-7.04831403E-12-2.91150439E+04+4.59132655E+01 4
+BBZOBQA C 10H 12O 3 G 300.00 5000.00 1386.00 1
++3.23611140E+01+3.26857545E-02-1.14446936E-05+1.80500228E-09-1.05879021E-13 2
+-3.97375501E+04-1.37482665E+02-6.65998176E-01+1.12253443E-01-8.67416618E-05 3
++3.51235082E-08-5.88315237E-12-2.83889589E+04+3.92427693E+01 4
+BBZOHDRC H 13C 10O 1 G 300.00 5000.00 1390.00 1
++2.89616045E+01+3.13860028E-02-1.05684490E-05+1.62583700E-09-9.37976226E-14 2
+-1.21309203E+04-1.23119546E+02-5.66970835E+00+1.14414123E-01-8.60977131E-05 3
++3.25990800E-08-4.92367334E-12-4.81961655E+02+6.18453183E+01 4
+BBZOHCRD H 13C 10O 1 G 300.00 5000.00 1397.00 1
++2.92194984E+01+3.23735228E-02-1.11452601E-05+1.73813247E-09-1.01165853E-13 2
+-1.85345570E+04-1.28255942E+02-3.78697371E+00+1.14666690E-01-9.09918967E-05 3
++3.74502620E-08-6.26920720E-12-7.60302466E+03+4.71488188E+01 4
+BBZOHCRB H 13C 10O 1 G 300.00 5000.00 1395.00 1
++2.83667165E+01+3.20931153E-02-1.08429774E-05+1.67082144E-09-9.64713801E-14 2
+-1.23304315E+04-1.19446010E+02-4.94261624E+00+1.13128783E-01-8.62235537E-05 3
++3.35119458E-08-5.24087878E-12-1.21085375E+03+5.80940852E+01 4
+BBZOHBRC H 13C 10O 1 G 300.00 5000.00 1393.00 1
++2.63327875E+01+3.24449184E-02-1.17374113E-05+1.98555802E-09-1.23755305E-13 2
++1.18972142E+04-1.05029728E+02-5.70985590E+00+1.13843465E-01-9.24499264E-05 3
++3.89125224E-08-6.64168643E-12+2.23577549E+04+6.47187471E+01 4
+BBZOHARB H 13C 10O 1 G 300.00 5000.00 1389.00 1
++2.83181157E+01+3.17223082E-02-1.06388494E-05+1.63214024E-09-9.39768846E-14 2
+-1.01875596E+04-1.18238369E+02-4.34777611E+00+1.08228515E-01-7.79405448E-05 3
++2.80187822E-08-3.98042093E-12+9.65972335E+02+5.68453377E+01 4
+BBZOHBRA H 13C 10O 1 G 300.00 5000.00 1399.00 1
++2.84776089E+01+3.24462572E-02-1.10511628E-05+1.71135092E-09-9.91269570E-14 2
+-1.09280253E+04-1.19758733E+02-5.43374476E+00+1.18481868E-01-9.57580042E-05 3
++3.99838837E-08-6.74527711E-12+1.03473911E+02+5.98420307E+01 4
+BBZOHDQJC H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.30311013E+01+3.40408082E-02-1.18669584E-05+1.86612850E-09-1.09241991E-13 2
+-3.12136098E+04-1.40145192E+02-4.56302972E+00+1.29702810E-01-1.07695326E-04 3
++4.64604389E-08-8.14383918E-12-1.88655146E+04+5.91077689E+01 4
+BBZOHCQJD H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.30311013E+01+3.40408082E-02-1.18669584E-05+1.86612850E-09-1.09241991E-13 2
+-3.12136098E+04-1.40145192E+02-4.56302972E+00+1.29702810E-01-1.07695326E-04 3
++4.64604389E-08-8.14383918E-12-1.88655146E+04+5.91077689E+01 4
+BBZOHCQJB H 13C 10O 3 G 300.00 5000.00 1395.00 1
++3.29364059E+01+3.39225620E-02-1.17808500E-05+1.84785988E-09-1.07979547E-13 2
+-3.15819175E+04-1.39228613E+02-4.00804466E+00+1.29104151E-01-1.08364411E-04 3
++4.73103694E-08-8.37213499E-12-1.95687320E+04+5.61569241E+01 4
+BBZOHBQJC H 13C 10O 3 G 300.00 5000.00 1395.00 1
++3.29364059E+01+3.39225620E-02-1.17808500E-05+1.84785988E-09-1.07979547E-13 2
+-3.15819175E+04-1.39228613E+02-4.00804466E+00+1.29104151E-01-1.08364411E-04 3
++4.73103694E-08-8.37213499E-12-1.95687320E+04+5.61569241E+01 4
+BBZOHAQJB H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.23285489E+01+3.44987580E-02-1.19929976E-05+1.88237898E-09-1.10046608E-13 2
+-2.92442159E+04-1.35622946E+02-3.50693341E+00+1.24895212E-01-1.01776032E-04 3
++4.33597130E-08-7.54161678E-12-1.73825613E+04+5.46091474E+01 4
+BBZOHBQJA H 13C 10O 3 G 300.00 5000.00 1393.00 1
++3.23285489E+01+3.44987580E-02-1.19929976E-05+1.88237898E-09-1.10046608E-13 2
+-2.92442159E+04-1.35622946E+02-3.50693341E+00+1.24895212E-01-1.01776032E-04 3
++4.33597130E-08-7.54161678E-12-1.73825613E+04+5.46091474E+01 4
+BBZE3OJB H 11C 10O 1 G 300.00 5000.00 1394.00 1
++2.90523370E+01+2.74093716E-02-9.35266850E-06+1.45119408E-09-8.42075299E-14 2
++3.90646596E+03-1.27911635E+02-6.32652451E+00+1.18475473E-01-1.00227313E-04 3
++4.29962855E-08-7.37102989E-12+1.52502708E+04+5.89438651E+01 4
+BBZE1OJC H 11C 10O 1 G 300.00 5000.00 1399.00 1
++2.99116577E+01+2.62545201E-02-8.87069640E-06+1.36803699E-09-7.90685061E-14 2
++5.84498598E+03-1.31753020E+02-1.01823067E+01+1.33514918E-01-1.19699450E-04 3
++5.34849264E-08-9.41224521E-12+1.82188656E+04+7.84384040E+01 4
+BBZE1OJD H 11C 10O 1 G 300.00 5000.00 1395.00 1
++2.83699212E+01+2.83475701E-02-9.74832523E-06+1.51990438E-09-8.84729649E-14 2
++6.35212179E+03-1.23023597E+02-7.09355624E+00+1.18355254E-01-9.81812632E-05 3
++4.13217340E-08-6.96841554E-12+1.78548529E+04+6.47375234E+01 4
+C6H5C4H7O-AB C 10H 12O 1 G 300.00 5000.00 1398.00 1
++2.77634636E+01+3.19566159E-02-1.10123814E-05+1.71860622E-09-1.00080496E-13 2
+-1.33020758E+04-1.21940647E+02-1.09331808E+01+1.35517455E-01-1.19634458E-04 3
++5.41172361E-08-9.77533378E-12-1.17987758E+03+8.12159449E+01 4
+C6H5C4H7O-AC C 10H 12O 1 G 300.00 5000.00 1397.00 1
++2.68727413E+01+3.30451034E-02-1.13692767E-05+1.77253264E-09-1.03153111E-13 2
+-1.37466877E+04-1.19258575E+02-1.19381051E+01+1.34599283E-01-1.15212934E-04 3
++5.06324341E-08-8.92755388E-12-1.38536367E+03+8.52713929E+01 4
+C6H5C4H7O-AD C 10H 12O 1 G 300.00 5000.00 1393.00 1
++2.67735806E+01+3.32922438E-02-1.14121606E-05+1.77600856E-09-1.03261952E-13 2
+-2.40065331E+04-1.23307611E+02-1.49020484E+01+1.39375913E-01-1.16157940E-04 3
++4.92331657E-08-8.36915399E-12-1.05018112E+04+9.72649566E+01 4
+C6H5C4H7O-BC C 10H 12O 1 G 300.00 5000.00 1399.00 1
++2.81822143E+01+3.17762095E-02-1.09869659E-05+1.71831813E-09-1.00207714E-13 2
+-1.55975048E+04-1.24549093E+02-1.11353572E+01+1.38533982E-01-1.24741027E-04 3
++5.74097944E-08-1.05130529E-11-3.41401160E+03+8.13557978E+01 4
+C6H5C4H7O-BD C 10H 12O 1 G 300.00 5000.00 1397.00 1
++2.72571916E+01+3.32325698E-02-1.15453770E-05+1.81144652E-09-1.05875648E-13 2
+-1.56401542E+04-1.22098995E+02-1.26166004E+01+1.37934000E-01-1.19416147E-04 3
++5.30848234E-08-9.46958279E-12-2.92934232E+03+8.79820376E+01 4
+C6H5C4H7O-CD C 10H 12O 1 G 300.00 5000.00 1398.00 1
++2.82572068E+01+3.19374957E-02-1.10935110E-05+1.74034091E-09-1.01711015E-13 2
+-1.52270909E+04-1.25367213E+02-1.17147029E+01+1.39232101E-01-1.24241424E-04 3
++5.66912774E-08-1.03194439E-11-2.70669779E+03+8.44222263E+01 4
+C6H4C2H H 5C 8 G 300.00 3000.00 1000.00 1
++9.43202080E+00+3.25329290E-02-1.68709990E-05+4.20594250E-09-4.09400480E-13 2
++6.23576270E+04-2.48636700E+01-4.56114890E+00+8.13046740E-02-8.13362740E-05 3
++4.22006150E-08-8.72984310E-12+6.56187700E+04+4.46738350E+01 4
+A1C2HAC C 10H 7 G 300.00 5000.00 1000.00 1
++1.21998720E+01+4.24216550E-02-2.18133560E-05+5.39916760E-09-5.22371160E-13 2
++6.75357020E+04-3.55326290E+01-2.87461430E+00+9.35986380E-02-8.71626910E-05 3
++4.21237400E-08-8.01506440E-12+7.11222060E+04+3.97275660E+01 4
+A2-X C 10H 7 G 300.00 5000.00 1000.00 1
++9.14717570E+00+4.80582360E-02-2.53147210E-05+6.38292050E-09-6.26509890E-13 2
++4.17725310E+04-2.59244170E+01-6.02056560E+00+9.04003210E-02-6.16294130E-05 3
++1.13763900E-08+3.50244490E-12+4.57999680E+04+5.19691610E+01 4
+A2O C 10H 7O 1 G 300.00 5000.00 1000.00 1
++1.77268430E+01+1.08095730E-02+4.74606580E-06+9.95701080E-10-6.69728000E-13 2
++9.57138280E+03-5.77990530E+01-8.58593850E+00+6.84750150E-02-9.20467850E-06 3
+-3.88479680E-08+2.17720230E-11+1.71742660E+04+8.09439620E+01 4
+A1C2H3AC C 10H 9 G 300.00 5000.00 1396.00 1
++2.50239956E+01+2.39105397E-02-8.10968529E-06+1.25277342E-09-7.24561609E-14 2
++4.35703121E+04-1.05906465E+02-2.83635408E+00+9.62636821E-02-8.11480370E-05 3
++3.50675636E-08-6.07614100E-12+5.24566003E+04+4.10401136E+01 4
+INDENYL C 9H 7 G 200.00 6000.00 1000.00 1
++1.85549761E+01+2.50350502E-02-9.14573755E-06+1.49348099E-09-9.01328268E-14 2
++2.57211482E+04-7.63004782E+01-2.66986010E+00+6.21770959E-02+1.50674040E-05 3
+-7.96461960E-08+4.09191931E-11+3.23869684E+04+3.78611069E+01 4
+INDENOXY C 9H 7O 1 G 300.00 5000.00 1400.00 1
++2.42528927E+01+2.06640524E-02-7.07817790E-06+1.10188688E-09-6.41084876E-14 2
++1.42528941E+04-1.06810256E+02-6.77634193E+00+9.53741681E-02-7.43666757E-05 3
++2.79382769E-08-4.05168693E-12+2.45400171E+04+5.86044645E+01 4
+PHENA C 14H 10 G 300.00 5000.00 1388.00 1
++3.15659624E+01+3.37289576E-02-1.18905510E-05+1.88392365E-09-1.10863384E-13 2
++8.86825879E+03-1.53073877E+02-9.00855994E+00+1.33073568E-01-1.06795088E-04 3
++4.39063506E-08-7.34436815E-12+2.25433546E+04+6.32918026E+01 4
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! LLNL THERMO !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+CH3COCH2O2H H 6O 3C 3 G 300.00 5000.00 1381.00 1
++1.52372810E+01+1.44114651E-02-5.01290009E-06+7.87071229E-10-4.60225784E-14 2
+-4.27564444E+04-4.77383784E+01+4.94789761E+00+3.60474432E-02-2.21719933E-05 3
++6.98296874E-09-9.21269260E-13-3.88687178E+04+8.49926130E+00 4
+CH3COCH2O H 5O 2C 3 G 300.00 5000.00 1370.00 1
++1.14637586E+01+1.32124342E-02-4.56580495E-06+7.13897538E-10-4.16281047E-14 2
+-2.23833017E+04-3.15127868E+01+3.72927689E+00+2.63943697E-02-1.09796486E-05 3
++8.58185303E-10+3.39474590E-13-1.91551565E+04+1.18505335E+01 4
+NC5H12 C 5H 12 G 300.00 5000.00 1396.00 1
++1.59247008E+01+2.59703101E-02-8.86821278E-06+1.37514707E-09-7.97105419E-14 2
+-2.60824218E+04-6.16997349E+01-1.67881131E+00+6.41231428E-02-3.96458285E-05 3
++1.23445155E-08-1.53325385E-12-1.96474971E+04+3.39348804E+01 4
+C5H11-1 H 11C 5 G 300.00 5000.00 1396.00 1
++1.54992372E+01+2.38273176E-02-8.13845161E-06+1.26220569E-09-7.31730066E-14 2
+-1.00988975E+03-5.58563592E+01-9.94216435E-01+5.99860809E-02-3.78318587E-05 3
++1.21310895E-08-1.57042863E-12+4.97697538E+03+3.35998032E+01 4
+C5H11-2 H 11C 5 G 300.00 5000.00 1391.00 1
++1.48744992E+01+2.40593799E-02-8.15587903E-06+1.25867109E-09-7.27223868E-14 2
+-2.14733945E+03-5.17907576E+01+7.25187788E-01+4.97343569E-02-2.18806076E-05 3
++2.09007834E-09+6.62752863E-13+3.46418370E+03+2.67485348E+01 4
+C5H11-3 H 11C 5 G 300.00 5000.00 1391.00 1
++1.48744992E+01+2.40593799E-02-8.15587903E-06+1.25867109E-09-7.27223868E-14 2
+-2.14733945E+03-5.24802393E+01+7.25187788E-01+4.97343569E-02-2.18806076E-05 3
++2.09007834E-09+6.62752863E-13+3.46418370E+03+2.60590532E+01 4
+C5H10-1 C 5H 10 G 300.00 5000.00 1392.00 1
++1.45851539E+01+2.24072471E-02-7.63348025E-06+1.18188966E-09-6.84385139E-14 2
+-1.00898205E+04-5.23683936E+01-1.06223481E+00+5.74218294E-02-3.74486890E-05 3
++1.27364989E-08-1.79609789E-12-4.46546666E+03+3.22739790E+01 4
+C5H10-2 C 5H 10 G 300.00 5000.00 1389.00 1
++1.41109267E+01+2.28348272E-02-7.78626835E-06+1.20627491E-09-6.98795983E-14 2
+-1.14336507E+04-5.01601163E+01-5.41560551E-01+5.39629918E-02-3.23508738E-05 3
++9.77416037E-09-1.18534668E-12-5.98606169E+03+2.97142748E+01 4
+C5H81-3 C 5H 8 G 300.00 5000.00 1396.00 1
++1.45574490E+01+1.80939266E-02-6.21671892E-06+9.67920254E-10-5.62629326E-14 2
++1.22365462E+03-5.43889766E+01-2.32617433E+00+6.38696042E-02-5.57052591E-05 3
++2.58049480E-08-4.83405924E-12+6.55183321E+03+3.42036513E+01 4
+C5H91-3 C 5H 9 G 300.00 5000.00 1392.00 1
++1.41860454E+01+2.07128899E-02-7.06960617E-06+1.09607133E-09-6.35322208E-14 2
++7.00496135E+03-5.14501773E+01-1.38013950E+00+5.57608487E-02-3.70143928E-05 3
++1.26883901E-08-1.78538835E-12+1.25589824E+04+3.26441304E+01 4
+C5H91-4 C 5H 9 G 300.00 5000.00 1379.00 1
++1.39904314E+01+1.99962562E-02-6.73105937E-06+1.03447598E-09-5.96148983E-14 2
++1.36075123E+04-4.58753046E+01+2.07302224E-01+4.75322572E-02-2.55232300E-05 3
++5.70570808E-09-2.53926602E-13+1.88300100E+04+2.97527890E+01 4
+C5H91-5 C 5H 9 G 300.00 5000.00 1392.00 1
++1.41604486E+01+2.02710046E-02-6.90765357E-06+1.06972742E-09-6.19529514E-14 2
++1.49795090E+04-4.72301324E+01-3.00352280E-01+5.29029897E-02-3.50199571E-05 3
++1.21280172E-08-1.74459793E-12+2.01482388E+04+3.08938514E+01 4
+C5H92-4 C 5H 9 G 300.00 5000.00 1389.00 1
++1.37128284E+01+2.11391857E-02-7.22186145E-06+1.12036442E-09-6.49675872E-14 2
++5.66079366E+03-4.92475603E+01-8.61323386E-01+5.23106875E-02-3.19282664E-05 3
++9.73236622E-09-1.17585595E-12+1.10386471E+04+3.00928924E+01 4
+C5H92-5 C 5H 9 G 300.00 5000.00 1389.00 1
++1.36885460E+01+2.06966684E-02-7.05980383E-06+1.09401634E-09-6.33885833E-14 2
++1.36345574E+04-4.50306538E+01+2.16350550E-01+4.94614176E-02-2.99438792E-05 3
++9.17728978E-09-1.13613754E-12+1.86282306E+04+2.83575279E+01 4
+C5H9O1-3 C 5H 9O 1 G 300.00 5000.00 1393.00 1
++1.86270165E+01+1.85189638E-02-6.21111137E-06+9.52916260E-10-5.48704082E-14 2
+-4.97349374E+03-7.09678919E+01-2.22532588E+00+6.97271843E-02-5.42285799E-05 3
++2.13591167E-08-3.36511599E-12+1.91826163E+03+3.99711270E+01 4
+C5H9O2-4 C 5H 9O 1 G 300.00 5000.00 1387.00 1
++1.86104516E+01+1.87100216E-02-6.31627652E-06+9.73434030E-10-5.62316246E-14 2
+-6.59575918E+03-7.05163465E+01-1.66449167E+00+6.51525448E-02-4.57159226E-05 3
++1.55903830E-08-2.04144207E-12+4.10326271E+02+3.84890543E+01 4
+C5H11O2H-1 C 5O 2H 12 G 300.00 5000.00 1387.00 1
++2.14180725E+01+2.62251472E-02-9.10691067E-06+1.42824507E-09-8.34473635E-14 2
+-3.80401323E+04-8.39746734E+01+4.74596161E-01+7.38808098E-02-5.12216645E-05 3
++1.87797149E-08-2.90291870E-12-3.05323779E+04+2.91362231E+01 4
+C5H11O2H-2 C 5O 2H 12 G 300.00 5000.00 1390.00 1
++2.21712264E+01+2.55540337E-02-8.86857346E-06+1.39034021E-09-8.12122040E-14 2
+-4.06027396E+04-8.84830959E+01-2.68431172E-01+7.90975970E-02-5.89751277E-05 3
++2.33029166E-08-3.83794655E-12-3.28329870E+04+3.17836191E+01 4
+C5H11O2H-3 C 5O 2H 12 G 300.00 5000.00 1390.00 1
++2.21712264E+01+2.55540337E-02-8.86857346E-06+1.39034021E-09-8.12122040E-14 2
+-4.06027396E+04-8.84830959E+01-2.68431172E-01+7.90975970E-02-5.89751277E-05 3
++2.33029166E-08-3.83794655E-12-3.28329870E+04+3.17836191E+01 4
+C5H11O2-1 H 11C 5O 2 G 300.00 5000.00 1386.00 1
++1.89702536E+01+2.60355552E-02-9.00706834E-06+1.40888868E-09-8.21618381E-14 2
+-2.01253683E+04-6.97477616E+01+1.39788038E+00+6.52788893E-02-4.34224032E-05 3
++1.57151743E-08-2.46631324E-12-1.36791222E+04+2.55411824E+01 4
+C5H11O2-2 H 11C 5O 2 G 300.00 5000.00 1389.00 1
++1.96655539E+01+2.53946113E-02-8.77477373E-06+1.37145913E-09-7.99350015E-14 2
+-2.26521255E+04-7.38934310E+01+7.10786402E-01+7.03521821E-02-5.11565299E-05 3
++2.03005197E-08-3.42470585E-12-1.59903126E+04+2.79113132E+01 4
+C5H11O2-3 H 11C 5O 2 G 300.00 5000.00 1389.00 1
++1.96655539E+01+2.53946113E-02-8.77477373E-06+1.37145913E-09-7.99350015E-14 2
+-2.26521255E+04-7.38934310E+01+7.10786402E-01+7.03521821E-02-5.11565299E-05 3
++2.03005197E-08-3.42470585E-12-1.59903126E+04+2.79113132E+01 4
+C5H11O-1 H 11C 5O 1 G 300.00 5000.00 1391.00 1
++1.73225378E+01+2.48217999E-02-8.48159842E-06+1.31587304E-09-7.63050620E-14 2
+-1.83356880E+04-6.37681611E+01-9.02925873E-02+6.34116550E-02-4.09268668E-05 3
++1.36982820E-08-1.89646466E-12-1.20333690E+04+3.05672313E+01 4
+C5H11O-2 H 11C 5O 1 G 300.00 5000.00 1396.00 1
++1.78183150E+01+2.44541516E-02-8.36505611E-06+1.29863054E-09-7.53356869E-14 2
+-2.06350810E+04-6.67615213E+01-4.94527725E-01+6.73149844E-02-4.72324734E-05 3
++1.75936532E-08-2.73651943E-12-1.42372243E+04+3.16370708E+01 4
+C5H11O-3 H 11C 5O 1 G 300.00 5000.00 1396.00 1
++1.78183150E+01+2.44541516E-02-8.36505611E-06+1.29863054E-09-7.53356869E-14 2
+-2.06350810E+04-6.74510029E+01-4.94527725E-01+6.73149844E-02-4.72324734E-05 3
++1.75936532E-08-2.73651943E-12-1.42372243E+04+3.09475892E+01 4
+C5H10OOH1-2 H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-3 H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-4 H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.09225281E+01+2.34863057E-02-8.03644420E-06+1.24880724E-09-7.25227776E-14 2
+-1.43245680E+04-7.79152904E+01+1.66304681E+00+6.42511734E-02-3.94124754E-05 3
++1.15348101E-08-1.25128422E-12-7.22288006E+03+2.70063739E+01 4
+C5H10OOH1-5 H 11C 5O 2 G 300.00 5000.00 1387.00 1
++2.10114488E+01+2.40561226E-02-8.36616955E-06+1.31339875E-09-7.67917194E-14 2
+-1.29757849E+04-7.89329903E+01+1.26957212E+00+6.92172253E-02-4.85626715E-05 3
++1.80144791E-08-2.81415382E-12-5.92384799E+03+2.76017751E+01 4
+C5H10OOH2-1 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10OOH2-3 H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH2-4 H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH2-5 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10OOH3-2 H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.10899451E+01+2.37168023E-02-8.19006128E-06+1.27986065E-09-7.45974063E-14 2
+-1.66702092E+04-7.91383677E+01+1.27092209E+00+6.82958985E-02-4.63421243E-05 3
++1.61403755E-08-2.30884220E-12-9.58339948E+03+2.79668173E+01 4
+C5H10OOH3-1 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.17441074E+01+2.33958311E-02-8.13002591E-06+1.27566943E-09-7.45598238E-14 2
+-1.55260698E+04-8.33092449E+01+5.18861756E-01+7.44934918E-02-5.64622871E-05 3
++2.26488673E-08-3.77612026E-12-8.22372586E+03+3.02858118E+01 4
+C5H10O1-2 C 5O 1H 10 G 300.00 5000.00 1382.00 1
++1.83450823E+01+2.15894287E-02-7.59914917E-06+1.20265688E-09-7.07149348E-14 2
+-2.52918816E+04-7.38748127E+01-2.50915891E+00+7.02820905E-02-5.23078154E-05 3
++2.05330738E-08-3.37999472E-12-1.79263879E+04+3.83402738E+01 4
+C5H10O1-3 C 5O 1H 10 G 300.00 5000.00 1370.00 1
++1.85051134E+01+2.17909650E-02-7.74803799E-06+1.23453810E-09-7.29327086E-14 2
+-2.62151881E+04-7.74524221E+01-2.70067147E+00+6.51234466E-02-3.97863209E-05 3
++1.12983558E-08-1.18141056E-12-1.81611984E+04+3.87589334E+01 4
+C5H10O1-4 C 5O 1H 10 G 300.00 5000.00 1371.00 1
++1.77074517E+01+2.24725523E-02-7.98404192E-06+1.27146816E-09-7.50866945E-14 2
+-3.63066445E+04-7.27392560E+01-3.94205066E+00+6.68440102E-02-4.09940878E-05 3
++1.17684771E-08-1.26029870E-12-2.80943137E+04+4.58617150E+01 4
+C5H10O1-5 C 5O 1H 10 G 300.00 5000.00 1457.00 1
++2.13684109E+01+1.97321411E-02-7.12842160E-06+1.14789888E-09-6.83162787E-14 2
+-3.89834904E+04-1.00032176E+02-3.02904503E+00+6.01320166E-02-2.12072490E-05 3
+-4.91313274E-09+3.07577547E-12-2.91028862E+04+3.64698785E+01 4
+C5H10O2-3 C 5O 1H 10 G 300.00 5000.00 1385.00 1
++1.89379846E+01+2.10434849E-02-7.40107577E-06+1.17069402E-09-6.88106356E-14 2
+-2.76228814E+04-7.74017673E+01-3.03891874E+00+7.46406721E-02-5.91275018E-05 3
++2.46307903E-08-4.24312686E-12-2.01088998E+04+4.00106761E+01 4
+C5H10O2-4 C 5O 1H 10 G 300.00 5000.00 1376.00 1
++1.91186278E+01+2.12169126E-02-7.53764833E-06+1.20035780E-09-7.08866585E-14 2
+-2.85216189E+04-8.03408390E+01-3.50702064E+00+7.13707278E-02-4.99483546E-05 3
++1.76515898E-08-2.56653255E-12-2.03198734E+04+4.22612571E+01 4
+C5H10OOH1-2O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-3O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-4O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH1-5O2 H 11C 5O 4 G 300.00 5000.00 1385.00 1
++2.48666576E+01+2.56688838E-02-8.97169324E-06+1.41315614E-09-8.28158711E-14 2
+-3.21479218E+04-9.51211738E+01+2.81997434E+00+7.72690504E-02-5.67282509E-05 3
++2.23236523E-08-3.71501383E-12-2.43447483E+04+2.35135259E+01 4
+C5H10OOH2-1O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH2-3O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+C5H10OOH2-4O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+C5H10OOH2-5O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH3-1O2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.55478814E+01+2.50385111E-02-8.74243938E-06+1.37611416E-09-8.06073182E-14 2
+-3.46345151E+04-9.91022020E+01+2.53072834E+00+8.12167401E-02-6.33054798E-05 3
++2.63900700E-08-4.58739612E-12-2.67337637E+04+2.39105049E+01 4
+C5H10OOH3-2O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.62850175E+01+2.43678422E-02-8.50101950E-06+1.33736519E-09-7.83075048E-14 2
+-3.71537284E+04-1.03435286E+02+2.08935173E+00+8.57156954E-02-7.04986902E-05 3
++3.07497216E-08-5.51132533E-12-2.90970365E+04+2.50297599E+01 4
+NC5KET12 C 5O 3H 10 G 300.00 5000.00 1389.00 1
++2.34427049E+01+2.21540692E-02-7.74817880E-06+1.22107095E-09-7.15883644E-14 2
+-4.99350593E+04-9.09970812E+01+5.64845658E-01+7.74889690E-02-6.00818427E-05 3
++2.42432817E-08-4.02329880E-12-4.21262314E+04+3.12910774E+01 4
+NC5KET13 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.27897549E+01+2.26387719E-02-7.89832354E-06+1.24260309E-09-7.27609759E-14 2
+-5.00526193E+04-8.71676166E+01+2.53945153E+00+7.08645319E-02-5.32266350E-05 3
++2.12906293E-08-3.56676536E-12-4.29988725E+04+2.14543054E+01 4
+NC5KET14 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.27897549E+01+2.26387719E-02-7.89832354E-06+1.24260309E-09-7.27609759E-14 2
+-5.00526193E+04-8.71676166E+01+2.53945153E+00+7.08645319E-02-5.32266350E-05 3
++2.12906293E-08-3.56676536E-12-4.29988725E+04+2.14543054E+01 4
+NC5KET15 C 5O 3H 10 G 300.00 5000.00 1383.00 1
++2.21776239E+01+2.31939864E-02-8.09797899E-06+1.27464047E-09-7.46625107E-14 2
+-4.75611599E+04-8.35091033E+01+3.22565144E+00+6.57620962E-02-4.52752542E-05 3
++1.64810866E-08-2.54467139E-12-4.06876266E+04+1.90851234E+01 4
+NC5KET21 C 5O 3H 10 G 300.00 5000.00 1379.00 1
++2.17534680E+01+2.36666119E-02-8.28610759E-06+1.30663620E-09-7.66324076E-14 2
+-5.12815467E+04-8.09340957E+01+4.56687437E+00+6.01978739E-02-3.82935508E-05 3
++1.29220662E-08-1.89791227E-12-4.47703435E+04+1.29580830E+01 4
+NC5KET23 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.31409808E+01+2.24801534E-02-7.87662916E-06+1.24282516E-09-7.29252729E-14 2
+-5.36784029E+04-9.00538236E+01+1.09304151E-01+7.75997760E-02-5.94124810E-05 3
++2.36744270E-08-3.89094338E-12-4.57495597E+04+3.32799795E+01 4
+NC5KET24 C 5O 3H 10 G 300.00 5000.00 1385.00 1
++2.25126387E+01+2.29495597E-02-8.02286486E-06+1.26389975E-09-7.40777420E-14 2
+-5.38122195E+04-8.63788737E+01+2.19333641E+00+7.04050260E-02-5.15856312E-05 3
++2.00741570E-08-3.28568948E-12-4.66368524E+04+2.29520202E+01 4
+NC5KET25 C 5O 3H 10 G 300.00 5000.00 1382.00 1
++2.19099644E+01+2.35018200E-02-8.22261497E-06+1.29606701E-09-7.59914647E-14 2
+-5.13242006E+04-8.27708903E+01+2.76270425E+00+6.58724877E-02-4.45144578E-05 3
++1.58213340E-08-2.38800145E-12-4.43093682E+04+2.11180678E+01 4
+NC5KET31 C 5O 3H 10 G 300.00 5000.00 1382.00 1
++2.17723599E+01+2.36116706E-02-8.25813864E-06+1.30129886E-09-7.62813000E-14 2
+-5.13543364E+04-8.16385880E+01+3.14481499E+00+6.64310592E-02-4.75232545E-05 3
++1.85573234E-08-3.11995924E-12-4.46228757E+04+1.89760116E+01 4
+NC5KET32 C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.29536744E+01+2.26192649E-02-7.91922638E-06+1.24883440E-09-7.32467701E-14 2
+-5.36792159E+04-8.86117968E+01+7.24497110E-01+7.71622935E-02-6.10369902E-05 3
++2.55909432E-08-4.44696298E-12-4.60989830E+04+3.00522534E+01 4
+C5H10OH-1 H 11C 5O 1 G 300.00 5000.00 1371.00 1
++1.75642279E+01+2.33577469E-02-7.81503517E-06+1.19674654E-09-6.88114207E-14 2
+-2.11605652E+04-6.19821034E+01+9.51873649E-01+5.58286144E-02-2.87750953E-05 3
++5.54684921E-09+1.10578801E-14-1.48168651E+04+2.93877119E+01 4
+C5H10OH-2 H 11C 5O 1 G 300.00 5000.00 1390.00 1
++1.72742775E+01+2.39409708E-02-8.07388576E-06+1.24188426E-09-7.15926603E-14 2
+-2.31054055E+04-6.11106423E+01+4.68530877E-01+6.05595171E-02-3.75900684E-05 3
++1.16488887E-08-1.41506375E-12-1.70158316E+04+3.00652481E+01 4
+O2C5H10OH-1 H 11C 5O 3 G 300.00 5000.00 1395.00 1
++2.06059936E+01+2.61750874E-02-8.92270421E-06+1.38184638E-09-8.00235870E-14 2
+-4.07496333E+04-7.38943495E+01+2.70461132E+00+6.83289096E-02-4.77921008E-05 3
++1.81238720E-08-2.90871344E-12-3.44822614E+04+2.22673007E+01 4
+O2C5H10OH-2 H 11C 5O 3 G 300.00 5000.00 1398.00 1
++2.15259930E+01+2.54039694E-02-8.65952886E-06+1.34110440E-09-7.76663740E-14 2
+-4.32473477E+04-8.00796638E+01+1.89616952E+00+7.37918569E-02-5.55488679E-05 3
++2.24979959E-08-3.79045894E-12-3.66230283E+04+2.45460172E+01 4
+NC6H14 H 14C 6 G 300.00 5000.00 1390.00 1
++1.89634117E+01+3.04480204E-02-1.03794829E-05+1.60775457E-09-9.31269728E-14 2
+-3.01628739E+04-7.62839355E+01-9.69606184E-01+7.29085608E-02-4.38853919E-05 3
++1.32312807E-08-1.58437423E-12-2.27803862E+04+3.23069798E+01 4
+C6H13-1 H 13C 6 G 300.00 5000.00 1390.00 1
++1.85385470E+01+2.83107962E-02-9.65307246E-06+1.49547585E-09-8.66336064E-14 2
+-5.09299041E+03-7.04490943E+01-2.04871465E-01+6.83801272E-02-4.14447912E-05 3
++1.26155802E-08-1.53120058E-12+1.83280393E+03+3.16075093E+01 4
+C6H13-2 H 13C 6 G 300.00 5000.00 1380.00 1
++1.83687363E+01+2.80268110E-02-9.47032396E-06+1.45888527E-09-8.42002461E-14 2
+-6.46093974E+03-6.90934018E+01+2.29560149E-01+6.33327323E-02-3.24135431E-05 3
++6.46387687E-09-9.61420427E-14+5.25639156E+02+3.08006138E+01 4
+C6H13-3 H 13C 6 G 300.00 5000.00 1380.00 1
++1.83687363E+01+2.80268110E-02-9.47032396E-06+1.45888527E-09-8.42002461E-14 2
+-6.46093974E+03-6.90934018E+01+2.29560149E-01+6.33327323E-02-3.24135431E-05 3
++6.46387687E-09-9.61420427E-14+5.25639156E+02+3.08006138E+01 4
+C6H12-1 C 6H 12 G 300.00 5000.00 1392.00 1
++1.78337529E+01+2.67377658E-02-9.10036773E-06+1.40819768E-09-8.15124244E-14 2
+-1.42062860E+04-6.83818851E+01-1.35275205E+00+6.98655426E-02-4.59408022E-05 3
++1.56967343E-08-2.21296175E-12-7.34368617E+03+3.53120691E+01 4
+C6H12-2 C 6H 12 G 300.00 5000.00 1390.00 1
++1.73616148E+01+2.71634902E-02-9.25249439E-06+1.43247725E-09-8.29472521E-14 2
+-1.55509547E+04-6.61857343E+01-8.37810520E-01+6.64334712E-02-4.08801772E-05 3
++1.27558015E-08-1.60665165E-12-8.86347329E+03+3.27785200E+01 4
+C6H12-3 C 6H 12 G 300.00 5000.00 1392.00 1
++1.74392115E+01+2.72012909E-02-9.28739405E-06+1.44011755E-09-8.34782517E-14 2
+-1.55311520E+04-6.72316177E+01-1.74471739E+00+7.02087492E-02-4.60836866E-05 3
++1.58225609E-08-2.26113570E-12-8.63510107E+03+3.65273503E+01 4
+C6H111-3 H 11C 6 G 300.00 5000.00 1392.00 1
++1.74385677E+01+2.50390443E-02-8.53480314E-06+1.32209951E-09-7.65892920E-14 2
++2.88667463E+03-6.74868036E+01-1.68400759E+00+6.82608096E-02-4.55829418E-05 3
++1.56920477E-08-2.21118204E-12+9.68283708E+03+3.57445494E+01 4
+C6H111-4 H 11C 6 G 300.00 5000.00 1381.00 1
++1.72621286E+01+2.42963321E-02-8.18563605E-06+1.25871870E-09-7.25641092E-14 2
++9.47965134E+03-6.20229885E+01-6.66672195E-02+5.98990444E-02-3.38938138E-05 3
++8.58922359E-09-6.54329636E-13+1.59493460E+04+3.27147756E+01 4
+C6H111-5 H 11C 6 G 300.00 5000.00 1381.00 1
++1.72621286E+01+2.42963321E-02-8.18563605E-06+1.25871870E-09-7.25641092E-14 2
++9.47965134E+03-6.20229885E+01-6.66672195E-02+5.98990444E-02-3.38938138E-05 3
++8.58922359E-09-6.54329636E-13+1.59493460E+04+3.27147756E+01 4
+C6H111-6 H 11C 6 G 300.00 5000.00 1392.00 1
++1.74129892E+01+2.45984185E-02-8.37352752E-06+1.29588349E-09-7.50182758E-14 2
++1.08613574E+04-6.32669814E+01-6.17484828E-01+6.54674092E-02-4.36872486E-05 3
++1.51936842E-08-2.18414423E-12+1.72739396E+04+3.40544957E+01 4
+C6H112-4 H 11C 6 G 300.00 5000.00 1389.00 1
++1.69675593E+01+2.54635235E-02-8.68644122E-06+1.34629700E-09-7.80191162E-14 2
++1.54157079E+03-6.52971106E+01-1.16992307E+00+6.48326433E-02-4.05262795E-05 3
++1.27524726E-08-1.60498435E-12+8.16316429E+03+3.32148832E+01 4
+C6H112-5 H 11C 6 G 300.00 5000.00 1377.00 1
++1.67818090E+01+2.47356833E-02-8.34368101E-06+1.28402955E-09-7.40627547E-14 2
++8.13809667E+03-5.97810800E+01+4.63606027E-01+5.63992000E-02-2.87342339E-05 3
++5.59014813E-09-3.57957530E-14+1.44272349E+04+3.01101704E+01 4
+C6H112-6 H 11C 6 G 300.00 5000.00 1390.00 1
++1.69431052E+01+2.50224953E-02-8.52515322E-06+1.32009254E-09-7.64493285E-14 2
++9.51557475E+03-6.10792812E+01-1.06006806E-01+6.20508067E-02-3.86460745E-05 3
++1.22632255E-08-1.57992990E-12+1.57546498E+04+3.15418771E+01 4
+C6H113-1 H 11C 6 G 300.00 5000.00 1392.00 1
++1.70133131E+01+2.50666461E-02-8.56223877E-06+1.32807194E-09-7.69999372E-14 2
++9.53859681E+03-6.13920940E+01-9.77623834E-01+6.56664597E-02-4.36212067E-05 3
++1.51941737E-08-2.20544154E-12+1.59778322E+04+3.58177060E+01 4
+C6H11O1-3 H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.22920437E+01+2.24441825E-02-7.53070994E-06+1.15575450E-09-6.65675174E-14 2
+-9.30566725E+03-8.94778368E+01-2.54423388E+00+8.15467714E-02-6.04734167E-05 3
++2.23330400E-08-3.25460865E-12-9.39930947E+02+4.32736817E+01 4
+C6H11O2-4 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++2.17536453E+01+2.29477789E-02-7.71427788E-06+1.18540388E-09-6.83332601E-14 2
+-1.06296518E+04-8.69112396E+01-1.97396384E+00+7.78641252E-02-5.51856115E-05 3
++1.93459318E-08-2.65553891E-12-2.46698943E+03+4.04899267E+01 4
+C6H12O1-2 C 6H 12O 1 G 300.00 5000.00 1390.00 1
++1.98237675E+01+2.83076305E-02-9.79700725E-06+1.53290291E-09-8.94136512E-14 2
+-2.86156250E+04-7.97147353E+01-2.60027118E+00+8.25140327E-02-6.19868951E-05 3
++2.52986585E-08-4.35196287E-12-2.08474661E+04+4.03432783E+01 4
+C6H12O1-3 C 6H 12O 1 G 300.00 5000.00 1381.00 1
++2.00943213E+01+2.80281041E-02-9.61073019E-06+1.49563556E-09-8.69482515E-14 2
+-2.94623491E+04-8.29672080E+01-3.67890943E+00+8.18734230E-02-5.65067852E-05 3
++2.03434434E-08-3.05338137E-12-2.09644147E+04+4.54357891E+01 4
+C6H12O1-4 C 6H 12O 1 G 300.00 5000.00 1385.00 1
++1.81937451E+01+3.05132082E-02-1.05538621E-05+1.65081301E-09-9.62756740E-14 2
+-3.91861539E+04-7.28892157E+01-4.98759747E+00+8.36690743E-02-5.83931131E-05 3
++2.19383204E-08-3.51302429E-12-3.08768470E+04+5.22311756E+01 4
+C6H12O1-5 C 6H 12O 1 G 300.00 5000.00 1369.00 1
++2.18696492E+01+2.89644808E-02-1.02843212E-05+1.63714319E-09-9.66552991E-14 2
+-4.43407005E+04-1.01256960E+02-4.89881418E+00+8.17946607E-02-4.67358620E-05 3
++1.15229724E-08-8.38133459E-13-3.39937629E+04+4.60903286E+01 4
+C6H12O2-3 C 6H 12O 1 G 300.00 5000.00 1392.00 1
++2.04400807E+01+2.77275705E-02-9.58422558E-06+1.49835476E-09-8.73476387E-14 2
+-3.09571014E+04-8.33771795E+01-3.24328996E+00+8.73751851E-02-6.95553645E-05 3
++2.98574354E-08-5.31644810E-12-2.30127954E+04+4.25385508E+01 4
+C6H12O2-4 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.99501923E+01+2.88253331E-02-1.00217930E-05+1.57295064E-09-9.19508743E-14 2
+-3.15674310E+04-8.24846912E+01-3.75894138E+00+8.46044396E-02-6.18101303E-05 3
++2.42424607E-08-4.01441141E-12-2.32216305E+04+4.49636341E+01 4
+C6H12O2-5 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.86455632E+01+3.02705842E-02-1.05000692E-05+1.64542415E-09-9.60802316E-14 2
+-4.14905135E+04-7.56801716E+01-5.21438722E+00+8.67847640E-02-6.36083019E-05 3
++2.52625812E-08-4.25063214E-12-3.31071531E+04+5.24812152E+01 4
+C6H12O3-4 C 6H 12O 1 G 300.00 5000.00 1392.00 1
++2.04400807E+01+2.77275705E-02-9.58422558E-06+1.49835476E-09-8.73476387E-14 2
+-3.09571014E+04-8.33771795E+01-3.24328996E+00+8.73751851E-02-6.95553645E-05 3
++2.98574354E-08-5.31644810E-12-2.30127954E+04+4.25385508E+01 4
+C6H13O2H-1 H 14C 6O 2 G 300.00 5000.00 1388.00 1
++2.45609177E+01+3.07471465E-02-1.06611615E-05+1.67031752E-09-9.75224221E-14 2
+-4.21305786E+04-9.94217981E+01+4.28827381E-01+8.52153162E-02-5.81549717E-05 3
++2.08798889E-08-3.15227267E-12-3.34464197E+04+3.10485287E+01 4
+C6H13O2H-2 H 14C 6O 2 G 300.00 5000.00 1390.00 1
++2.53703550E+01+3.00455578E-02-1.04162589E-05+1.63180782E-09-9.52693153E-14 2
+-4.47221575E+04-1.04960674E+02-4.38853727E-01+9.10055843E-02-6.66797289E-05 3
++2.58472566E-08-4.18105592E-12-3.57293720E+04+3.35762294E+01 4
+C6H13O2H-3 H 14C 6O 2 G 300.00 5000.00 1390.00 1
++2.53703550E+01+3.00455578E-02-1.04162589E-05+1.63180782E-09-9.52693153E-14 2
+-4.47221575E+04-1.04960674E+02-4.38853727E-01+9.10055843E-02-6.66797289E-05 3
++2.58472566E-08-4.18105592E-12-3.57293720E+04+3.35762294E+01 4
+C6H13O2-1 H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.21224820E+01+3.05609710E-02-1.05650154E-05+1.65180006E-09-9.62963346E-14 2
+-2.42219722E+04-8.52560175E+01+1.24283154E+00+7.71349324E-02-5.11549390E-05 3
++1.83242032E-08-2.83058645E-12-1.65776531E+04+2.79518801E+01 4
+C6H13O2-2 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.28578467E+01+2.98910703E-02-1.03239520E-05+1.61313659E-09-9.40033512E-14 2
+-2.67682999E+04-9.03306141E+01+5.25316289E-01+8.23287654E-02-5.89792005E-05 3
++2.29248698E-08-3.78641136E-12-1.88843662E+04+2.97737842E+01 4
+C6H13O2-3 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.28578467E+01+2.98910703E-02-1.03239520E-05+1.61313659E-09-9.40033512E-14 2
+-2.67682999E+04-9.03306141E+01+5.25316289E-01+8.23287654E-02-5.89792005E-05 3
++2.29248698E-08-3.78641136E-12-1.88843662E+04+2.97737842E+01 4
+C6H12OOH1-2 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-3 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-4 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH1-5 H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.39324013E+01+2.82540690E-02-9.70102532E-06+1.51047138E-09-8.78256178E-14 2
+-1.83659389E+04-9.26286863E+01+1.46739689E+00+7.63926681E-02-4.77256697E-05 3
++1.46093613E-08-1.73635234E-12-1.01177260E+04+2.95852272E+01 4
+C6H12OOH2-1 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH2-3 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-4 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-5 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH2-6 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH3-1 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH3-2 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-4 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-5 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.42386096E+01+2.82611912E-02-9.75785456E-06+1.52463492E-09-8.88530032E-14 2
+-2.07681322E+04-9.53255329E+01+1.01849347E+00+8.05626618E-02-5.46523533E-05 3
++1.90948643E-08-2.74735588E-12-1.24666956E+04+3.01431792E+01 4
+C6H12OOH3-6 H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.49425195E+01+2.78897045E-02-9.67889017E-06+1.51735809E-09-8.86312636E-14 2
+-1.96455693E+04-9.97839086E+01+3.27957994E-01+8.64935702E-02-6.43067781E-05 3
++2.52816700E-08-4.13905950E-12-1.11170270E+04+3.21731341E+01 4
+C6H12OOH1-2O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-3O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-4O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH1-5O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH2-1O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH2-3O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-4O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-5O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH2-6O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH3-1O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+C6H12OOH3-2O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-4O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-5O2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.95548919E+01+2.88270019E-02-1.00437732E-05+1.57871998E-09-9.23848804E-14 2
+-4.13185786E+04-1.19673306E+02+1.71726092E+00+9.83623459E-02-7.90354964E-05 3
++3.37038035E-08-5.93018486E-12-3.19595468E+04+2.84741624E+01 4
+C6H12OOH3-6O2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.87780675E+01+2.95251779E-02-1.02931692E-05+1.61854521E-09-9.47401775E-14 2
+-3.87743825E+04-1.15090906E+02+2.19542973E+00+9.38208455E-02-7.19541247E-05 3
++2.94849979E-08-5.04751943E-12-2.96046234E+04+2.71617731E+01 4
+NC6KET12 C 6H 12O 3 G 300.00 5000.00 1431.00 1
++1.76692622E+01+2.98180137E-02-9.43179071E-06+1.38583919E-09-7.72738616E-14 2
+-4.67026645E+04-4.87302952E+01+3.38273518E+00+6.51971936E-02-4.27848450E-05 3
++1.55394912E-08-2.34685173E-12-4.20179622E+04+2.71536226E+01 4
+NC6KET13 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET14 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET15 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.59328855E+01+2.71799865E-02-9.46340472E-06+1.48679538E-09-8.69765690E-14 2
+-5.41442590E+04-1.02621676E+02+2.36496601E+00+8.28625471E-02-6.12300153E-05 3
++2.40951600E-08-3.97857713E-12-4.58958895E+04+2.39438215E+01 4
+NC6KET21 C 6H 12O 3 G 300.00 5000.00 1380.00 1
++2.48977627E+01+2.82099062E-02-9.85249224E-06+1.55108568E-09-9.08649219E-14 2
+-5.53731276E+04-9.63947605E+01+4.39221532E+00+7.22001454E-02-4.62914048E-05 3
++1.57162916E-08-2.30615915E-12-4.76675282E+04+1.54471571E+01 4
+NC6KET23 C 6H 12O 3 G 300.00 5000.00 1388.00 1
++2.63430506E+01+2.69861544E-02-9.43297025E-06+1.48601772E-09-8.70977117E-14 2
+-5.78013235E+04-1.05866313E+02-1.35622858E-01+8.98798610E-02-6.76978860E-05 3
++2.65961001E-08-4.32068174E-12-4.86358432E+04+3.60982792E+01 4
+NC6KET24 C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.56847445E+01+2.74782488E-02-9.58627575E-06+1.50810536E-09-8.83051336E-14 2
+-5.79176568E+04-1.02009176E+02+1.73253220E+00+8.37365688E-02-6.15876454E-05 3
++2.41188610E-08-3.97119823E-12-4.94924385E+04+2.67536906E+01 4
+NC6KET25 C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.56847445E+01+2.74782488E-02-9.58627575E-06+1.50810536E-09-8.83051336E-14 2
+-5.79176568E+04-1.02009176E+02+1.73253220E+00+8.37365688E-02-6.15876454E-05 3
++2.41188610E-08-3.97119823E-12-4.94924385E+04+2.67536906E+01 4
+NC6KET26 C 6H 12O 3 G 300.00 5000.00 1383.00 1
++2.50574425E+01+2.80369155E-02-9.78501982E-06+1.53978046E-09-9.01766406E-14 2
+-5.54174830E+04-9.82500096E+01+2.58934810E+00+7.78460026E-02-5.24513152E-05 3
++1.85689713E-08-2.78455147E-12-4.72061155E+04+2.36059697E+01 4
+NC6KET31 C 6H 12O 3 G 300.00 5000.00 1383.00 1
++2.49194999E+01+2.81507231E-02-9.82266516E-06+1.54541788E-09-9.04929606E-14 2
+-5.54463958E+04-9.71141228E+01+2.96919433E+00+7.84436519E-02-5.55361775E-05 3
++2.13589050E-08-3.52935948E-12-4.75201133E+04+2.14680944E+01 4
+NC6KET32 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.60960142E+01+2.71703309E-02-9.48970254E-06+1.49407399E-09-8.75315577E-14 2
+-5.77729470E+04-1.04067264E+02+5.64144594E-01+8.90854292E-02-6.89132035E-05 3
++2.83151935E-08-4.84139667E-12-4.89978587E+04+3.24785934E+01 4
+NC6KET34 C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.60960142E+01+2.71703309E-02-9.48970254E-06+1.49407399E-09-8.75315577E-14 2
+-5.77729470E+04-1.04067264E+02+5.64144594E-01+8.90854292E-02-6.89132035E-05 3
++2.83151935E-08-4.84139667E-12-4.89978587E+04+3.24785934E+01 4
+NC6KET35 C 6H 12O 3 G 300.00 5000.00 1385.00 1
++2.55125763E+01+2.76136115E-02-9.62969344E-06+1.51447067E-09-8.86568371E-14 2
+-5.79323622E+04-1.00670318E+02+2.47172709E+00+8.26409167E-02-6.21054242E-05 3
++2.53063842E-08-4.36121469E-12-4.98579950E+04+2.29726065E+01 4
+NC6KET36 C 6H 12O 3 G 300.00 5000.00 1383.00 1
++2.49194999E+01+2.81507231E-02-9.82266516E-06+1.54541788E-09-9.04929606E-14 2
+-5.54463958E+04-9.71141228E+01+2.96919433E+00+7.84436519E-02-5.55361775E-05 3
++2.13589050E-08-3.52935948E-12-4.75201133E+04+2.14680944E+01 4
+C6H13O-1 H 13C 6O 1 G 300.00 5000.00 1391.00 1
++2.04847348E+01+2.93216823E-02-1.00270389E-05+1.55645319E-09-9.02886762E-14 2
+-2.24313312E+04-7.93220600E+01-2.75164321E-01+7.54319868E-02-4.89209083E-05 3
++1.64641255E-08-2.29328813E-12-1.49282944E+04+3.31091672E+01 4
+C6H13O-2 H 13C 6O 1 G 300.00 5000.00 1396.00 1
++2.10569902E+01+2.87986753E-02-9.83767726E-06+1.52590233E-09-8.84677299E-14 2
+-2.47452394E+04-8.27139640E+01-7.81250097E-01+7.97868977E-02-5.58105384E-05 3
++2.06261124E-08-3.17214287E-12-1.71172031E+04+3.46483507E+01 4
+C6H13O-3 H 13C 6O 1 G 300.00 5000.00 1396.00 1
++2.10569902E+01+2.87986753E-02-9.83767726E-06+1.52590233E-09-8.84677299E-14 2
+-2.47452394E+04-8.27139640E+01-7.81250097E-01+7.97868977E-02-5.58105384E-05 3
++2.06261124E-08-3.17214287E-12-1.71172031E+04+3.46483507E+01 4
+C6H12OH-1 H 13C 6O 1 G 300.00 5000.00 1374.00 1
++2.08351245E+01+2.75160242E-02-9.19212642E-06+1.40613856E-09-8.07910065E-14 2
+-2.54006048E+04-7.80442288E+01+7.30467050E-01+6.80553890E-02-3.71632261E-05 3
++8.47842648E-09-3.99384332E-13-1.78478288E+04+3.20923365E+01 4
+C6H12OH-2 H 13C 6O 1 G 300.00 5000.00 1390.00 1
++2.05388853E+01+2.82512269E-02-9.53280388E-06+1.46688381E-09-8.45889133E-14 2
+-2.73356962E+04-7.65278460E+01+2.03282633E-01+7.28935457E-02-4.59200360E-05 3
++1.45115010E-08-1.81146964E-12-2.00036461E+04+3.36751650E+01 4
+C6H12OH-3 H 13C 6O 1 G 300.00 5000.00 1390.00 1
++2.05388853E+01+2.82512269E-02-9.53280388E-06+1.46688381E-09-8.45889133E-14 2
+-2.73356962E+04-7.65278460E+01+2.03282633E-01+7.28935457E-02-4.59200360E-05 3
++1.45115010E-08-1.81146964E-12-2.00036461E+04+3.36751650E+01 4
+O2C6H12OH-1 H 13C 6O 3 G 300.00 5000.00 1395.00 1
++2.37745808E+01+3.06705946E-02-1.04669074E-05+1.62226472E-09-9.39991386E-14 2
+-4.49540557E+04-8.94862826E+01+2.52250523E+00+8.03363569E-02-5.57536493E-05 3
++2.08636775E-08-3.29895205E-12-3.74833645E+04+2.47960934E+01 4
+O2C6H12OH-2 H 13C 6O 3 G 300.00 5000.00 1397.00 1
++2.46632042E+01+2.99541594E-02-1.02286047E-05+1.58601587E-09-9.19277798E-14 2
+-4.74127816E+04-9.48234723E+01+1.59446253E+00+8.62865587E-02-6.42669164E-05 3
++2.57424275E-08-4.29953824E-12-3.95691578E+04+2.83298549E+01 4
+O2C6H12OH-3 H 13C 6O 3 G 300.00 5000.00 1397.00 1
++2.46632042E+01+2.99541594E-02-1.02286047E-05+1.58601587E-09-9.19277798E-14 2
+-4.74127816E+04-9.48234723E+01+1.59446253E+00+8.62865587E-02-6.42669164E-05 3
++2.57424275E-08-4.29953824E-12-3.95691578E+04+2.83298549E+01 4
+NC4H9CHO C 5O 1H 10 G 300.00 5000.00 1381.00 1
++1.67965163E+01+2.25684519E-02-7.67631588E-06+1.18769369E-09-6.87545554E-14 2
+-3.56826080E+04-6.09063312E+01+1.59663472E+00+5.43541416E-02-3.21020651E-05 3
++9.35773559E-09-1.06688932E-12-2.99841025E+04+2.21281498E+01 4
+NC4H9CO C 5H 9O 1 G 300.00 5000.00 1382.00 1
++1.61782939E+01+2.07991920E-02-7.11787892E-06+1.10559975E-09-6.41697187E-14 2
+-1.66537752E+04-5.58943579E+01+2.43530238E+00+4.93682376E-02-2.89883082E-05 3
++8.42863812E-09-9.68287172E-13-1.14675541E+04+1.92695879E+01 4
+C4H8CHO-1 C 5H 9O 1 G 300.00 5000.00 1382.00 1
++1.62387385E+01+2.06785503E-02-7.06216576E-06+1.09553003E-09-6.35307382E-14 2
+-1.05717872E+04-5.50446953E+01+2.41842832E+00+4.96272127E-02-2.94995966E-05 3
++8.76068653E-09-1.04084476E-12-5.38055616E+03+2.04609422E+01 4
+C4H8CHO-2 C 5H 9O 1 G 300.00 5000.00 2014.00 1
++1.41407667E+01+2.28357886E-02-7.96904210E-06+1.26040379E-09-7.42466834E-14 2
+-1.07960087E+04-4.22099585E+01+2.67005026E+00+4.58193092E-02-2.29410393E-05 3
++4.53761436E-09-1.26593772E-13-6.67002712E+03+2.04249941E+01 4
+C4H8CHO-3 C 5H 9O 1 G 300.00 5000.00 2014.00 1
++1.41407667E+01+2.28357886E-02-7.96904210E-06+1.26040379E-09-7.42466834E-14 2
+-1.07960087E+04-4.22099585E+01+2.67005026E+00+4.58193092E-02-2.29410393E-05 3
++4.53761436E-09-1.26593772E-13-6.67002712E+03+2.04249941E+01 4
+C4H8CHO-4 C 5H 9O 1 G 300.00 5000.00 1388.00 1
++1.65969615E+01+2.07196999E-02-7.14969212E-06+1.11659188E-09-6.50492039E-14 2
+-1.54539499E+04-6.03180192E+01+1.16494271E+00+5.43945461E-02-3.49000792E-05 3
++1.14582711E-08-1.54697375E-12-9.80619729E+03+2.34897110E+01 4
+NC3H7COCH3 C 5O 1H 10 G 300.00 5000.00 1383.00 1
++1.61841564E+01+2.35245881E-02-8.09675055E-06+1.26230690E-09-7.34487839E-14 2
+-3.93375474E+04-5.82980615E+01+1.24037361E+00+5.42494047E-02-3.14825332E-05 3
++9.14492321E-09-1.07665566E-12-3.36276472E+04+2.36150068E+01 4
+NC3H7COCH2 C 5H 9O 1 G 300.00 5000.00 1389.00 1
++1.61502419E+01+2.14093466E-02-7.36059614E-06+1.14656816E-09-6.66712722E-14 2
+-1.76968561E+04-5.83864884E+01+9.58299271E-01+5.68162532E-02-3.99112781E-05 3
++1.52671514E-08-2.49221047E-12-1.23062238E+04+2.34112884E+01 4
+C3H6COCH3-1 C 5H 9O 1 G 300.00 5000.00 1381.00 1
++1.58052948E+01+2.12787457E-02-7.31842496E-06+1.14049355E-09-6.63446381E-14 2
+-1.42827587E+04-5.34016678E+01+2.00033269E+00+4.96074565E-02-2.87470600E-05 3
++8.26666830E-09-9.51074212E-13-9.01010845E+03+2.22761791E+01 4
+C3H6COCH3-2 C 5H 9O 1 G 300.00 5000.00 2017.00 1
++1.36994763E+01+2.33997602E-02-8.20838083E-06+1.30268499E-09-7.69151198E-14 2
+-1.44773517E+04-4.04820065E+01+2.20585184E+00+4.59605697E-02-2.23175553E-05 3
++4.03645332E-09-1.91585252E-14-1.02918446E+04+2.24556304E+01 4
+C3H6COCH3-3 C 5H 9O 1 G 300.00 5000.00 1389.00 1
++1.57976789E+01+2.17091054E-02-7.46487769E-06+1.16300253E-09-6.76366022E-14 2
+-1.89670489E+04-5.65047695E+01+6.36829393E-01+5.50047719E-02-3.53220538E-05 3
++1.18237807E-08-1.65550023E-12-1.34221768E+04+2.57839238E+01 4
+C2H5COC2H5 C 5O 1H 10 G 300.00 5000.00 1376.00 1
++1.67131896E+01+2.24769805E-02-7.61830162E-06+1.17658492E-09-6.80456888E-14 2
+-3.96020446E+04-6.15362004E+01+1.59094611E+00+5.45541559E-02-3.33407641E-05 3
++1.05931387E-08-1.42002914E-12-3.39282740E+04+2.09983080E+01 4
+C2H5COC2H4P C 5H 9O 1 G 300.00 5000.00 1376.00 1
++1.62000827E+01+2.05106647E-02-6.96977982E-06+1.07826230E-09-6.24324406E-14 2
+-1.45067221E+04-5.52272610E+01+2.39449461E+00+4.98731839E-02-3.07394387E-05 3
++9.95080260E-09-1.37570832E-12-9.32123954E+03+2.01162807E+01 4
+C2H5COC2H4S C 5H 9O 1 G 300.00 5000.00 1385.00 1
++1.61904470E+01+2.12169293E-02-7.35412919E-06+1.15187377E-09-6.72380864E-14 2
+-1.92650763E+04-5.84937265E+01+1.10728106E+00+5.48902970E-02-3.67695939E-05 3
++1.32867426E-08-2.06966690E-12-1.37435363E+04+2.32804315E+01 4
+C2H5COC2H3 C 5H 8O 1 G 300.00 5000.00 1387.00 1
++1.55916947E+01+1.96028302E-02-6.79737285E-06+1.06496015E-09-6.21767189E-14 2
+-2.55988351E+04-5.53302818E+01+4.89126432E-01+5.49951823E-02-3.96989101E-05 3
++1.55700373E-08-2.60070818E-12-2.02458499E+04+2.59411142E+01 4
+PC2H4COC2H3 C 5H 7O 1 G 300.00 5000.00 1404.00 1
++1.26732841E+01+2.02366192E-02-6.61089203E-06+9.93878746E-10-5.63457733E-14 2
++7.74011225E+02-3.54543594E+01+7.62539679E-01+5.35805655E-02-4.36465022E-05 3
++1.99232699E-08-3.73335386E-12+4.42260800E+03+2.66604751E+01 4
+SC2H4COC2H3 C 5H 7O 1 G 300.00 5000.00 1389.00 1
++1.58074213E+01+1.69721022E-02-5.91317608E-06+9.29449082E-10-5.43903161E-14 2
+-5.49230389E+03-5.69867205E+01-1.60114035E-01+5.57954071E-02-4.31353298E-05 3
++1.76457444E-08-2.99384261E-12-3.12060218E+01+2.83440609E+01 4
+NC7H16 H 16C 7 G 300.00 5000.00 1391.00 1
++2.22148969E+01+3.47675750E-02-1.18407129E-05+1.83298478E-09-1.06130266E-13 2
+-3.42760081E+04-9.23040196E+01-1.26836187E+00+8.54355820E-02-5.25346786E-05 3
++1.62945721E-08-2.02394925E-12-2.56586565E+04+3.53732912E+01 4
+C7H15-1 H 15C 7 G 300.00 5000.00 1390.00 1
++2.17940709E+01+3.26280243E-02-1.11138244E-05+1.72067148E-09-9.96366999E-14 2
+-9.20938221E+03-8.64954311E+01-4.99570406E-01+8.08826467E-02-5.00532754E-05 3
++1.56549308E-08-1.96616227E-12-1.04590223E+03+3.46564011E+01 4
+C7H15-2 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.52209653E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.37321506E+01 4
+C7H15-3 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.52209653E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.37321506E+01 4
+C7H15-4 H 15C 7 G 300.00 5000.00 1382.00 1
++2.16368842E+01+3.23324804E-02-1.09273807E-05+1.68357060E-09-9.71774091E-14 2
+-1.05873616E+04-8.59104470E+01-3.79155767E-02+7.56726570E-02-4.07473634E-05 3
++9.32678943E-09-4.92360745E-13-2.35605303E+03+3.30426690E+01 4
+C7H14-1 H 14C 7 G 300.00 5000.00 1392.00 1
++2.10898039E+01+3.10607878E-02-1.05644793E-05+1.63405780E-09-9.45598219E-14 2
+-1.83260065E+04-8.44391108E+01-1.67720549E+00+8.24611601E-02-5.46504108E-05 3
++1.87862303E-08-2.65737983E-12-1.02168601E+04+3.85068032E+01 4
+C7H14-2 H 14C 7 G 300.00 5000.00 1390.00 1
++2.06192047E+01+3.14852991E-02-1.07162057E-05+1.65827662E-09-9.59911785E-14 2
+-1.96713162E+04-8.22519387E+01-1.16533279E+00+7.90439806E-02-4.96101666E-05 3
++1.58569009E-08-2.05346433E-12-1.17362359E+04+3.59871070E+01 4
+C7H14-3 H 14C 7 G 300.00 5000.00 1392.00 1
++2.06822750E+01+3.15388629E-02-1.07571215E-05+1.66690260E-09-9.65810393E-14 2
+-1.96450604E+04-8.25235002E+01-2.03026994E+00+8.26324377E-02-5.45514471E-05 3
++1.87705822E-08-2.67571220E-12-1.15141029E+04+4.02316266E+01 4
+C7H131-3 H 13C 7 G 300.00 5000.00 1392.00 1
++2.06977799E+01+2.93585249E-02-9.99754351E-06+1.54773305E-09-8.96230815E-14 2
+-1.38049514E+03-8.35627043E+01-2.01707658E+00+8.08915559E-02-5.43383904E-05 3
++1.88066108E-08-2.66059253E-12+6.66507961E+03+3.89797235E+01 4
+C7H131-4 H 13C 7 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-5 H 13C 7 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-6 H 13C 7 G 300.00 5000.00 1383.00 1
++2.05321062E+01+2.85988588E-02-9.64125534E-06+1.48314293E-09-8.55245930E-14 2
++5.20664966E+03-7.81606882E+01-3.37870973E-01+7.22549356E-02-4.22499105E-05 3
++1.14646497E-08-1.05306924E-12+1.29222803E+04+3.56636773E+01 4
+C7H131-7 H 13C 7 G 300.00 5000.00 1392.00 1
++2.06754243E+01+2.89092236E-02-9.83222685E-06+1.52079763E-09-8.80072255E-14 2
++6.59360193E+03-7.93564689E+01-8.56743712E-01+7.77195832E-02-5.19282134E-05 3
++1.80146398E-08-2.57342002E-12+1.42410455E+04+3.68476570E+01 4
+C7H132-4 H 13C 7 G 300.00 5000.00 1390.00 1
++2.02283723E+01+2.97818393E-02-1.01488201E-05+1.57187813E-09-9.10500113E-14 2
+-2.71119859E+03-8.13824175E+01-1.50555526E+00+7.74758940E-02-4.92982536E-05 3
++1.58761889E-08-2.05624822E-12+5.16084218E+03+3.64615905E+01 4
+C7H132-5 H 13C 7 G 300.00 5000.00 1379.00 1
++2.00522952E+01+2.90375466E-02-9.79903704E-06+1.50841035E-09-8.70206514E-14 2
++3.87993522E+03-7.59217636E+01+1.92192199E-01+6.87557473E-02-3.70909926E-05 3
++8.46587268E-09-4.34596882E-13+1.14153061E+04+3.30601003E+01 4
+C7H132-6 H 13C 7 G 300.00 5000.00 1379.00 1
++2.00522952E+01+2.90375466E-02-9.79903704E-06+1.50841035E-09-8.70206514E-14 2
++3.87993522E+03-7.59217636E+01+1.92192199E-01+6.87557473E-02-3.70909926E-05 3
++8.46587268E-09-4.34596882E-13+1.14153061E+04+3.30601003E+01 4
+C7H132-7 H 13C 7 G 300.00 5000.00 1390.00 1
++2.02038608E+01+2.93419067E-02-9.98810855E-06+1.54578179E-09-8.94871756E-14 2
++5.26290572E+03-7.71644519E+01-4.54324169E-01+7.47544837E-02-4.75103113E-05 3
++1.54448401E-08-2.04403706E-12+1.27541308E+04+3.48464580E+01 4
+C7H133-1 H 13C 7 G 300.00 5000.00 1392.00 1
++2.02595343E+01+2.94019199E-02-1.00312524E-05+1.55475333E-09-9.00969885E-14 2
++5.30761197E+03-7.73922048E+01-1.28816625E+00+7.82039641E-02-5.22552162E-05 3
++1.82427873E-08-2.64174309E-12+1.29867502E+04+3.89474921E+01 4
+C7H133-5 H 13C 7 G 300.00 5000.00 1392.00 1
++2.02852000E+01+2.98429179E-02-1.01927262E-05+1.58100534E-09-9.16702393E-14 2
+-2.66699385E+03-8.16175392E+01-2.36092106E+00+8.10269808E-02-5.41952361E-05 3
++1.87683817E-08-2.67470772E-12+5.39652999E+03+4.06609319E+01 4
+C7H133-6 H 13C 7 G 300.00 5000.00 1384.00 1
++2.00865333E+01+2.91250010E-02-9.85196347E-06+1.51881375E-09-8.77061669E-14 2
++3.93905131E+03-7.60211796E+01-7.98785387E-01+7.29104436E-02-4.28677284E-05 3
++1.18818540E-08-1.16315170E-12+1.16713874E+04+3.78868290E+01 4
+C7H133-7 H 13C 7 G 300.00 5000.00 1392.00 1
++2.02595343E+01+2.94019199E-02-1.00312524E-05+1.55475333E-09-9.00969885E-14 2
++5.30761197E+03-7.73922048E+01-1.28816625E+00+7.82039641E-02-5.22552162E-05 3
++1.82427873E-08-2.64174309E-12+1.29867502E+04+3.89474921E+01 4
+C7H13O1-3 H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.53923888E+01+2.67015459E-02-8.93162555E-06+1.36776722E-09-7.86546152E-14 2
+-1.31992107E+04-1.04485728E+02-2.97186844E+00+9.50411096E-02-7.14210586E-05 3
++2.71211636E-08-4.11210980E-12-3.69998874E+03+4.68736292E+01 4
+C7H13O2-4 H 13O 1C 7 G 300.00 5000.00 1389.00 1
++2.48888884E+01+2.71728188E-02-9.10354489E-06+1.39555380E-09-8.03103189E-14 2
+-1.45377934E+04-1.02121928E+02-2.38155227E+00+9.12476056E-02-6.58712429E-05 3
++2.39221243E-08-3.45819168E-12-5.23001862E+03+4.39988302E+01 4
+C7H13O3-5 H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.46614185E+01+2.71531970E-02-9.04971128E-06+1.38224414E-09-7.93365017E-14 2
+-1.43669878E+04-1.00409922E+02-4.04764701E+00+9.94962377E-02-7.94282837E-05 3
++3.26919568E-08-5.42561898E-12-5.01665573E+03+5.17524548E+01 4
+C7H15O2-1 H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.52656556E+01+3.50803587E-02-1.21178801E-05+1.89360806E-09-1.10354125E-13 2
+-2.81113392E+04-1.00704794E+02+1.20888552E+00+8.84061706E-02-5.79861260E-05 3
++2.03574689E-08-3.06460336E-12-1.92918765E+04+2.98117097E+01 4
+C7H15O2-2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.05407563E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.29433435E+01 4
+C7H15O2-3 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.05407563E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.29433435E+01 4
+C7H15O2-4 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.60535640E+01+3.43831688E-02-1.18713247E-05+1.85450241E-09-1.08052399E-13 2
+-3.06842095E+04-1.06097045E+02+3.55252917E-01+9.42381007E-02-6.66955106E-05 3
++2.54795583E-08-4.13211105E-12-2.15795254E+04+3.22538619E+01 4
+C7H15O2H-1 H 16O 2C 7 G 300.00 5000.00 1388.00 1
++2.77185802E+01+3.52624458E-02-1.22144164E-05+1.91237244E-09-1.11602067E-13 2
+-4.62267320E+04-1.14955409E+02+2.69178904E-01+9.71211877E-02-6.59765921E-05 3
++2.35449071E-08-3.52849016E-12-3.63451119E+04+3.34740655E+01 4
+C7H15O2H-2 H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20064377E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.67137899E+01 4
+C7H15O2H-3 H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20064377E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.67137899E+01 4
+C7H15O2H-4 H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.85706023E+01+3.45345478E-02-1.19627321E-05+1.87305198E-09-1.09312061E-13 2
+-4.88414901E+04-1.20753858E+02-6.02100521E-01+1.02885015E-01-7.43422840E-05 3
++2.83646038E-08-4.51796063E-12-3.86269481E+04+3.60243083E+01 4
+C7H15O-1 H 15O 1C 7 G 300.00 5000.00 1391.00 1
++2.36489937E+01+3.38195865E-02-1.15717686E-05+1.79692111E-09-1.04265757E-13 2
+-2.65280214E+04-9.48882293E+01-4.59189934E-01+8.74464647E-02-5.69015135E-05 3
++1.92195908E-08-2.68753465E-12-1.78233113E+04+3.56475170E+01 4
+C7H15O-2 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.87360860E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.77738325E+01 4
+C7H15O-3 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.87360860E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.77738325E+01 4
+C7H15O-4 H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.43070968E+01+3.31267815E-02-1.13034023E-05+1.75198875E-09-1.01526945E-13 2
+-2.88623481E+04-9.94255677E+01-1.09087925E+00+9.23217022E-02-6.44477835E-05 3
++2.36808474E-08-3.61067567E-12-1.99926675E+04+3.70843509E+01 4
+C7H14OOH1-2 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-3 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-4 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH1-5 H 15O 2C 7 G 300.00 5000.00 1383.00 1
++2.72290222E+01+3.24921901E-02-1.11259758E-05+1.72928878E-09-1.00428326E-13 2
+-2.24977070E+04-1.08901784E+02+1.11146206E+00+8.91595392E-02-5.67352382E-05 3
++1.78890094E-08-2.22260206E-12-1.29868314E+04+3.29200052E+01 4
+C7H14OOH2-1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH2-3 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-4 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-5 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH2-6 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH3-2 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-4 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-5 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-6 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10201978E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.32997487E+01 4
+C7H14OOH3-7 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.14883305E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.53720992E+01 4
+C7H14OOH4-1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.81418167E+01+3.23810222E-02-1.12264895E-05+1.75881065E-09-1.02687430E-13 2
+-2.37649208E+04-1.15572787E+02+1.51527018E-01+9.84303098E-02-7.20555130E-05 3
++2.78535130E-08-4.48821028E-12-1.40125600E+04+3.46826176E+01 4
+C7H14OOH4-2 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10891460E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.26102671E+01 4
+C7H14OOH4-3 H 15O 2C 7 G 300.00 5000.00 1389.00 1
++2.74034778E+01+3.27527893E-02-1.12991770E-05+1.76444649E-09-1.02786945E-13 2
+-2.48636651E+04-1.10891460E+02+8.49786005E-01+9.25107196E-02-6.25359834E-05 3
++2.17880390E-08-3.12720398E-12-1.53640679E+04+3.26102671E+01 4
+C7H14OOH1-2O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-3O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-4O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH1-5O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH2-1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH2-3O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-4O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-5O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH2-6O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH3-2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-4O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-5O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-6O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH3-7O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH4-1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.20144349E+01+3.40055996E-02-1.18415856E-05+1.86060347E-09-1.08851012E-13 2
+-4.27171859E+04-1.31118243E+02+1.89718004E+00+1.06229796E-01-8.02770218E-05 3
++3.23649093E-08-5.45850472E-12-3.22790229E+04+3.02474612E+01 4
+C7H14OOH4-2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14OOH4-3O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.28358296E+01+3.32767285E-02-1.15833285E-05+1.81958638E-09-1.06434419E-13 2
+-4.52873003E+04-1.35975710E+02+1.40912479E+00+1.10720834E-01-8.71178075E-05 3
++3.63662749E-08-6.28350689E-12-3.46304788E+04+3.16223383E+01 4
+C7H14O1-2 H 14O 1C 7 G 300.00 5000.00 1394.00 1
++2.35147269E+01+3.21674287E-02-1.10803549E-05+1.72835023E-09-1.00601041E-13 2
+-3.33352322E+04-9.74257302E+01-3.65270763E+00+9.70546060E-02-7.14482297E-05 3
++2.77781632E-08-4.48128551E-12-2.39799254E+04+4.80801402E+01 4
+C7H14O1-3 H 14O 1C 7 G 300.00 5000.00 1395.00 1
++2.26918916E+01+3.32510472E-02-1.14457765E-05+1.78455535E-09-1.03841112E-13 2
+-3.41591419E+04-9.46346563E+01-5.50036450E+00+1.00155088E-01-7.29935857E-05 3
++2.79344270E-08-4.42245696E-12-2.44292287E+04+5.64768482E+01 4
+C7H14O1-4 H 14O 1C 7 G 300.00 5000.00 1398.00 1
++2.20530468E+01+3.40541230E-02-1.16873054E-05+1.81862696E-09-1.05680270E-13 2
+-4.41822326E+04-9.24677192E+01-6.56017746E+00+1.00694520E-01-7.10466567E-05 3
++2.59142094E-08-3.86849843E-12-3.42312152E+04+6.12629813E+01 4
+C7H14O1-5 H 14O 1C 7 G 300.00 5000.00 1394.00 1
++2.27681049E+01+3.42097414E-02-1.18172110E-05+1.84695360E-09-1.07658833E-13 2
+-4.68159558E+04-1.01833212E+02-7.14726345E+00+1.02606685E-01-7.12373028E-05 3
++2.52354809E-08-3.63484271E-12-3.62821855E+04+5.93513033E+01 4
+C7H14O2-3 H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.44676947E+01+3.13508938E-02-1.07981336E-05+1.68432141E-09-9.80409528E-14 2
+-3.58726267E+04-1.03164928E+02-4.35014619E+00+1.01435718E-01-7.70541034E-05 3
++3.06059134E-08-4.99101265E-12-2.61218264E+04+5.06557622E+01 4
+C7H14O2-4 H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.32692731E+01+3.25585391E-02-1.11624906E-05+1.73573658E-09-1.00813215E-13 2
+-3.64349664E+04-9.79457278E+01-5.39477206E+00+1.01846577E-01-7.60046236E-05 3
++2.96538020E-08-4.74854370E-12-2.67118295E+04+5.51731319E+01 4
+C7H14O2-5 H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.26707471E+01+3.34803352E-02-1.14785395E-05+1.78491428E-09-1.03671828E-13 2
+-4.65307741E+04-9.61517004E+01-7.24295043E+00+1.05687256E-01-7.87952366E-05 3
++3.05899677E-08-4.86103477E-12-3.63891669E+04+6.36525527E+01 4
+C7H14O2-6 H 14O 1C 7 G 300.00 5000.00 1396.00 1
++2.33833361E+01+3.36382957E-02-1.16092281E-05+1.81335441E-09-1.05656460E-13 2
+-4.91623271E+04-1.05500759E+02-7.82017858E+00+1.07564943E-01-7.89396005E-05 3
++2.98830915E-08-4.62102018E-12-3.84419001E+04+6.16931674E+01 4
+C7H14O3-4 H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.44676947E+01+3.13508938E-02-1.07981336E-05+1.68432141E-09-9.80409528E-14 2
+-3.58726267E+04-1.03164928E+02-4.35014619E+00+1.01435718E-01-7.70541034E-05 3
++3.06059134E-08-4.99101265E-12-2.61218264E+04+5.06557622E+01 4
+C7H14O3-5 H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.32692731E+01+3.25585391E-02-1.11624906E-05+1.73573658E-09-1.00813215E-13 2
+-3.64349664E+04-9.79457278E+01-5.39477206E+00+1.01846577E-01-7.60046236E-05 3
++2.96538020E-08-4.74854370E-12-2.67118295E+04+5.51731319E+01 4
+NC7KET12 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++3.14039860E+01+2.85485198E-02-9.69585695E-06+1.50017009E-09-8.68909491E-14 2
+-5.74044717E+04-1.31576613E+02-1.01240540E+00+1.08525210E-01-8.59990884E-05 3
++3.49272961E-08-5.73789850E-12-4.66314955E+04+4.09175088E+01 4
+NC7KET13 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET14 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET15 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++2.90744507E+01+3.17177458E-02-1.10262646E-05+1.73053608E-09-1.01161699E-13 2
+-5.82345477E+04-1.18064324E+02+2.21629328E+00+9.47373762E-02-6.90473651E-05 3
++2.67820400E-08-4.36392181E-12-4.87965510E+04+2.63157133E+01 4
+NC7KET21 H 14O 3C 7 G 300.00 5000.00 1385.00 1
++3.07082732E+01+2.92465419E-02-9.95807579E-06+1.54315782E-09-8.94718150E-14 2
+-5.87615592E+04-1.27058904E+02-9.64230115E-01+1.08158991E-01-8.67775775E-05 3
++3.61807459E-08-6.14661796E-12-4.82404885E+04+4.13251144E+01 4
+NC7KET23 H 14O 3C 7 G 300.00 5000.00 1388.00 1
++3.05981614E+01+2.97258855E-02-1.01972578E-05+1.58732411E-09-9.22942417E-14 2
+-6.09638920E+04-1.27837876E+02-1.45570671E+00+1.08772384E-01-8.59757426E-05 3
++3.51095315E-08-5.83436499E-12-5.02602030E+04+4.28185431E+01 4
+NC7KET24 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET25 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET26 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET31 H 14O 3C 7 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET32 H 14O 3C 7 G 300.00 5000.00 1385.00 1
++3.09165578E+01+2.91258044E-02-9.92861588E-06+1.53981152E-09-8.93271341E-14 2
+-6.11708347E+04-1.29264593E+02-9.94514343E-01+1.08762100E-01-8.76137740E-05 3
++3.66478182E-08-6.24244946E-12-5.05819016E+04+4.03445313E+01 4
+NC7KET34 H 14O 3C 7 G 300.00 5000.00 1385.00 1
++3.09165578E+01+2.91258044E-02-9.92861588E-06+1.53981152E-09-8.93271341E-14 2
+-6.11708347E+04-1.29264593E+02-9.94514343E-01+1.08762100E-01-8.76137740E-05 3
++3.66478182E-08-6.24244946E-12-5.05819016E+04+4.03445313E+01 4
+NC7KET35 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET36 H 14O 3C 7 G 300.00 5000.00 1387.00 1
++2.88330388E+01+3.20168096E-02-1.11508456E-05+1.75226159E-09-1.02520451E-13 2
+-6.20142474E+04-1.17499704E+02+1.52936692E+00+9.58173466E-02-6.96688520E-05 3
++2.69540382E-08-4.38728126E-12-5.23839542E+04+2.93851334E+01 4
+NC7KET37 H 14O 3C 7 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET41 H 14O 3C 7 G 300.00 5000.00 1384.00 1
++2.80739929E+01+3.26743194E-02-1.13798765E-05+1.78819290E-09-1.04618326E-13 2
+-5.95401535E+04-1.12628648E+02+2.77522939E+00+9.05308437E-02-6.36476024E-05 3
++2.42107778E-08-3.94769763E-12-5.04144221E+04+2.40464052E+01 4
+NC7KET42 H 14O 3C 7 G 300.00 5000.00 1386.00 1
++2.86572867E+01+3.21567908E-02-1.11961570E-05+1.75895000E-09-1.02891960E-13 2
+-6.20252988E+04-1.16135256E+02+2.32269738E+00+9.45160149E-02-6.99057179E-05 3
++2.79772916E-08-4.74244431E-12-5.27586830E+04+2.53458269E+01 4
+NC7KET43 H 14O 3C 7 G 300.00 5000.00 1386.00 1
++2.86572867E+01+3.21567908E-02-1.11961570E-05+1.75895000E-09-1.02891960E-13 2
+-6.20252988E+04-1.16135256E+02+2.32269738E+00+9.45160149E-02-6.99057179E-05 3
++2.79772916E-08-4.74244431E-12-5.27586830E+04+2.53458269E+01 4
+C7H14OH-1 H 15O 1C 7 G 300.00 5000.00 1376.00 1
++2.41265675E+01+3.16637088E-02-1.05671043E-05+1.61536314E-09-9.27674815E-14 2
+-2.95485867E+04-9.42377369E+01+4.58848577E-01+8.04446771E-02-4.57034176E-05 3
++1.14685073E-08-8.17742081E-13-2.07641264E+04+3.50408521E+01 4
+C7H14OH-2 H 15O 1C 7 G 300.00 5000.00 1390.00 1
++2.38036547E+01+3.25612587E-02-1.09916297E-05+1.69186772E-09-9.75842145E-14 2
+-3.14956023E+04-9.26354590E+01-6.17451781E-02+8.52264839E-02-5.42481745E-05 3
++1.73728776E-08-2.20758857E-12-2.29210338E+04+3.65945984E+01 4
+C7H14OH-3 H 15O 1C 7 G 300.00 5000.00 1390.00 1
++2.38036547E+01+3.25612587E-02-1.09916297E-05+1.69186772E-09-9.75842145E-14 2
+-3.14956023E+04-9.26354590E+01-6.17451781E-02+8.52264839E-02-5.42481745E-05 3
++1.73728776E-08-2.20758857E-12-2.29210338E+04+3.65945984E+01 4
+O2C7H14OH-1 H 15O 3C 7 G 300.00 5000.00 1395.00 1
++2.69431812E+01+3.51661203E-02-1.20111248E-05+1.86268617E-09-1.07974911E-13 2
+-4.90880404E+04-1.05078319E+02+2.34060326E+00+9.23428863E-02-6.37138459E-05 3
++2.36026902E-08-3.68902757E-12-4.04140401E+04+2.73239434E+01 4
+O2C7H14OH-2 H 15O 3C 7 G 300.00 5000.00 1396.00 1
++2.78711248E+01+3.44298705E-02-1.17690678E-05+1.82617826E-09-1.05901891E-13 2
+-5.15690694E+04-1.10657303E+02+1.43173891E+00+9.81681859E-02-7.19259300E-05 3
++2.82501348E-08-4.63278447E-12-4.25022305E+04+3.07742185E+01 4
+O2C7H14OH-3 H 15O 3C 7 G 300.00 5000.00 1396.00 1
++2.78711248E+01+3.44298705E-02-1.17690678E-05+1.82617826E-09-1.05901891E-13 2
+-5.15690694E+04-1.10657303E+02+1.43173891E+00+9.81681859E-02-7.19259300E-05 3
++2.82501348E-08-4.63278447E-12-4.25022305E+04+3.07742185E+01 4
+NC5H11CHO C 6H 12O 1 G 300.00 5000.00 1384.00 1
++1.98891043E+01+2.71869340E-02-9.27391515E-06+1.43744158E-09-8.33090761E-14 2
+-3.97523444E+04-7.60741671E+01+1.37517192E+00+6.65669689E-02-4.04423050E-05 3
++1.23836270E-08-1.52905857E-12-3.28740986E+04+2.48343934E+01 4
+NC5H11CO H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.94783812E+01+2.50466029E-02-8.54861346E-06+1.32557944E-09-7.68503296E-14 2
+-2.07923937E+04-7.21995578E+01+2.14479069E+00+6.17863563E-02-3.74134690E-05 3
++1.13283795E-08-1.36917698E-12-1.43451172E+04+2.23128045E+01 4
+C5H10CHO-1 H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.94701427E+01+2.50490154E-02-8.54838759E-06+1.32543025E-09-7.68369090E-14 2
+-1.46878327E+04-7.09736169E+01+2.15377345E+00+6.19684203E-02-3.78904723E-05 3
++1.17022892E-08-1.46276094E-12-8.26278569E+03+2.33779159E+01 4
+C5H10CHO-2 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-3 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-4 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.48168825E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.30278698E+01 4
+C5H10CHO-5 H 11C 6O 1 G 300.00 5000.00 1395.00 1
++2.02669246E+01+2.47914857E-02-8.54953747E-06+1.33477274E-09-7.77453379E-14 2
+-2.07889535E+04-7.93060747E+01-1.26556708E+00+7.36551339E-02-5.04263913E-05 3
++1.74734247E-08-2.44116609E-12-1.31838221E+04+3.68187516E+01 4
+C4H7CHO1-4 C 5H 8O 1 G 300.00 5000.00 1379.00 1
++1.59299730E+01+1.84432887E-02-6.21997362E-06+9.57537306E-10-5.52580126E-14 2
+-1.98311071E+04-5.51771737E+01+1.30688261E+00+5.07911858E-02-3.31509980E-05 3
++1.10391295E-08-1.49578391E-12-1.45595753E+04+2.40234219E+01 4
+C4H7CO1-4 C 5H 7O 1 G 300.00 5000.00 1378.00 1
++1.54637001E+01+1.64158685E-02-5.54672481E-06+8.55055295E-10-4.93928750E-14 2
+-8.55858619E+02-5.10065564E+01+2.09347005E+00+4.59484008E-02-3.00651488E-05 3
++9.99306335E-09-1.34709811E-12+3.96659370E+03+2.14210959E+01 4
+C4H6CHO1-43 C 5H 7O 1 G 300.00 5000.00 1382.00 1
++1.54178855E+01+1.71672536E-02-5.95214751E-06+9.32713368E-10-5.44705237E-14 2
+-2.75958461E+03-5.37764772E+01+1.13728412E+00+4.85677415E-02-3.21395914E-05 3
++1.08714802E-08-1.51624448E-12+2.44080824E+03+2.36917499E+01 4
+C4H6CHO1-44 C 5H 7O 1 G 300.00 5000.00 1390.00 1
++1.54721595E+01+1.70164879E-02-5.87513255E-06+9.17941359E-10-5.34945363E-14 2
++4.99122207E+02-5.31445505E+01+7.50037894E-01+5.14805714E-02-3.71071056E-05 3
++1.40009579E-08-2.19006703E-12+5.63542979E+03+2.59488465E+01 4
+NC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1384.00 1
++1.93396071E+01+2.80294129E-02-9.64367685E-06+1.50309259E-09-8.74431874E-14 2
+-4.34308987E+04-7.38144199E+01+1.04489132E+00+6.62869241E-02-3.94849702E-05 3
++1.19083422E-08-1.47157105E-12-3.65200950E+04+2.62126637E+01 4
+NC4H9COCH2 H 11C 6O 1 G 300.00 5000.00 1387.00 1
++1.98575871E+01+2.52406370E-02-8.72522623E-06+1.36422047E-09-7.95374883E-14 2
+-2.20531958E+04-7.71140999E+01+6.57240675E-01+6.91820222E-02-4.79956182E-05 3
++1.78114857E-08-2.80456388E-12-1.51806661E+04+2.65180216E+01 4
+C4H8COCH3-1 H 11C 6O 1 G 300.00 5000.00 1384.00 1
++1.89006813E+01+2.59288818E-02-8.93525037E-06+1.39416390E-09-8.11664734E-14 2
+-1.83595544E+04-6.85988070E+01+1.83079991E+00+6.16869509E-02-3.69733811E-05 3
++1.12792095E-08-1.42170745E-12-1.19106373E+04+2.47213709E+01 4
+C4H8COCH3-2 H 11C 6O 1 G 300.00 5000.00 1365.00 1
++1.92472410E+01+2.47394219E-02-8.34917480E-06+1.28606717E-09-7.42515416E-14 2
+-1.98964461E+04-7.00732125E+01+2.32442247E+00+5.60360489E-02-2.62897892E-05 3
++3.55349257E-09+4.62560403E-13-1.32203258E+04+2.36967419E+01 4
+C4H8COCH3-3 H 11C 6O 1 G 300.00 5000.00 1365.00 1
++1.92472410E+01+2.47394219E-02-8.34917480E-06+1.28606717E-09-7.42515416E-14 2
+-1.98964461E+04-7.00732125E+01+2.32442247E+00+5.60360489E-02-2.62897892E-05 3
++3.55349257E-09+4.62560403E-13-1.32203258E+04+2.36967419E+01 4
+C4H8COCH3-4 H 11C 6O 1 G 300.00 5000.00 1387.00 1
++1.94544114E+01+2.56278187E-02-8.86916402E-06+1.38780777E-09-8.09574343E-14 2
+-2.33097365E+04-7.49578200E+01+4.64936924E-01+6.68009275E-02-4.26203243E-05 3
++1.39372398E-08-1.88407814E-12-1.63159454E+04+2.82932537E+01 4
+C4H7OOH1-4 C 4O 2H 8 G 300.00 5000.00 1393.00 1
++1.66978343E+01+1.80578399E-02-6.22476839E-06+9.71479434E-10-5.65686551E-14 2
+-1.85344720E+04-5.76609547E+01+1.79804670E+00+5.23302551E-02-3.64638246E-05 3
++1.31971888E-08-1.97165993E-12-1.32846748E+04+2.25862038E+01 4
+C4H7O1-4 C 4H 7O 1 G 300.00 5000.00 1393.00 1
++1.31417783E+01+1.64166051E-02-5.56949199E-06+8.60114769E-10-4.97230006E-14 2
++1.67967537E+03-4.16160087E+01-2.92647947E-01+4.83149119E-02-3.48133220E-05 3
++1.31921468E-08-2.06485553E-12+6.29978883E+03+3.03629978E+01 4
+C5H9OOH1-4 C 5O 2H 10 G 300.00 5000.00 1397.00 1
++2.02179950E+01+2.21511744E-02-7.60711244E-06+1.18420679E-09-6.88331594E-14 2
+-2.44297406E+04-7.58287543E+01+7.67782330E-01+6.93519317E-02-5.21650213E-05 3
++2.06237355E-08-3.35844189E-12-1.78318101E+04+2.80373555E+01 4
+C5H9O1-4 C 5H 9O 1 G 300.00 5000.00 1398.00 1
++1.66809382E+01+2.07591828E-02-7.09289768E-06+1.10031617E-09-6.37992567E-14 2
+-4.67568455E+03-5.95056483E+01-8.53018802E-01+6.41880432E-02-4.91931508E-05 3
++2.00188214E-08-3.35963237E-12+1.19509504E+03+3.38333616E+01 4
+C5H9OOH1-5 C 5O 2H 10 G 300.00 5000.00 1393.00 1
++1.98575596E+01+2.25572969E-02-7.76951451E-06+1.21189491E-09-7.05404248E-14 2
+-2.26275637E+04-7.31968346E+01+1.65166493E+00+6.41855434E-02-4.42152137E-05 3
++1.58117718E-08-2.33469388E-12-1.61856012E+04+2.49485316E+01 4
+C5H9O1-5 C 5H 9O 1 G 300.00 5000.00 1394.00 1
++1.62564642E+01+2.10561226E-02-7.18323965E-06+1.11331434E-09-6.45162851E-14 2
+-2.41003213E+03-5.69404193E+01-6.08379884E-01+6.09139191E-02-4.36395120E-05 3
++1.64966933E-08-2.58694444E-12+3.42450558E+03+3.35104649E+01 4
+C6H11OOH1-4 C 6O 2H 12 G 300.00 5000.00 1397.00 1
++2.33879230E+01+2.66182814E-02-9.13553672E-06+1.42154300E-09-8.26043195E-14 2
+-2.85211117E+04-9.14098376E+01+6.08693415E-01+8.12533376E-02-5.99544347E-05 3
++2.32306975E-08-3.71302106E-12-2.07306507E+04+3.04600742E+01 4
+C6H11O1-4 H 11C 6O 1 G 300.00 5000.00 1397.00 1
++1.99304018E+01+2.50878998E-02-8.55881248E-06+1.32642733E-09-7.68596330E-14 2
+-8.79248519E+03-7.55242129E+01-1.17611678E+00+7.67820021E-02-5.79189808E-05 3
++2.31283510E-08-3.81018248E-12-1.67830272E+03+3.70214234E+01 4
+C6H11OOH1-5 C 6O 2H 12 G 300.00 5000.00 1397.00 1
++2.33879230E+01+2.66182814E-02-9.13553672E-06+1.42154300E-09-8.26043195E-14 2
+-2.85211117E+04-9.14098376E+01+6.08693415E-01+8.12533376E-02-5.99544347E-05 3
++2.32306975E-08-3.71302106E-12-2.07306507E+04+3.04600742E+01 4
+C6H11O1-5 H 11C 6O 1 G 300.00 5000.00 1397.00 1
++1.99304018E+01+2.50878998E-02-8.55881248E-06+1.32642733E-09-7.68596330E-14 2
+-8.79248519E+03-7.55242129E+01-1.17611678E+00+7.67820021E-02-5.79189808E-05 3
++2.31283510E-08-3.81018248E-12-1.67830272E+03+3.70214234E+01 4
+C5H91-1 C 5H 9 G 300.00 5000.00 1393.00 1
++1.44574345E+01+2.00072707E-02-6.81378895E-06+1.05474728E-09-6.10665440E-14 2
++2.00271156E+04-4.97833624E+01-1.68848603E-01+5.40218667E-02-3.74233337E-05 3
++1.37866431E-08-2.12590460E-12+2.51604761E+04+2.88873177E+01 4
+C4H7CHO1-1 C 5H 8O 1 G 300.00 5000.00 1393.00 1
++1.65147810E+01+1.86176385E-02-6.41423546E-06+1.00074444E-09-5.82623258E-14 2
+-2.45132738E+04-6.08626797E+01-8.96311479E-01+6.16639930E-02-4.81456435E-05 3
++1.98018086E-08-3.35010063E-12-1.86685108E+04+3.18639054E+01 4
+C4H7CO1-1 C 5H 7O 1 G 300.00 5000.00 1394.00 1
++1.59313061E+01+1.65161742E-02-5.67719248E-06+8.84327967E-10-5.14250392E-14 2
+-8.36367262E+03-5.69425937E+01+4.61430370E-01+5.62940371E-02-4.61644186E-05 3
++2.00772412E-08-3.57227308E-12-3.30150514E+03+2.49394919E+01 4
+C4H6CHO1-14 C 5H 7O 1 G 300.00 5000.00 1393.00 1
++1.60679011E+01+1.65205734E-02-5.70629506E-06+8.91819150E-10-5.19829213E-14 2
++5.61658536E+02-5.56047479E+01-9.37897914E-02+5.69789312E-02-4.55153233E-05 3
++1.91029934E-08-3.28540832E-12+5.93885740E+03+3.02936035E+01 4
+C4H6CHO1-13 C 5H 7O 1 G 300.00 5000.00 1388.00 1
++1.65957737E+01+1.64087623E-02-5.74432894E-06+9.05904509E-10-5.31381430E-14 2
+-7.68324332E+03-6.28091961E+01-8.68106067E-01+5.81156028E-02-4.44075851E-05 3
++1.74858999E-08-2.82132259E-12-1.68831658E+03+3.06969623E+01 4
+NC3H7COC2H5 C 6H 12O 1 G 300.00 5000.00 1378.00 1
++1.99627893E+01+2.68078451E-02-9.08527269E-06+1.40288330E-09-8.11176345E-14 2
+-4.37215719E+04-7.68702768E+01+1.28300489E+00+6.70849881E-02-4.19984982E-05 3
++1.36804265E-08-1.86987155E-12-3.68039430E+04+2.48054841E+01 4
+C3H6COC2H5-1 H 11C 6O 1 G 300.00 5000.00 1380.00 1
++1.92391148E+01+2.51659147E-02-8.57508083E-06+1.32847255E-09-7.69774808E-14 2
+-1.85404890E+04-7.00617026E+01+2.08958703E+00+6.24878115E-02-3.97257078E-05 3
++1.33752941E-08-1.92193795E-12-1.21992557E+04+2.32035207E+01 4
+C3H6COC2H5-2 H 11C 6O 1 G 300.00 5000.00 1369.00 1
++1.91083648E+01+2.49004438E-02-8.41246692E-06+1.29661383E-09-7.48882792E-14 2
+-1.99334270E+04-6.89565390E+01+2.83974334E+00+5.59471569E-02-2.81954889E-05 3
++5.56103221E-09-1.03163981E-13-1.35531569E+04+2.09458274E+01 4
+C3H6COC2H5-3 H 11C 6O 1 G 300.00 5000.00 1386.00 1
++1.93409644E+01+2.56927090E-02-8.88365538E-06+1.38917272E-09-8.09982255E-14 2
+-2.33416177E+04-7.39480531E+01+8.23830406E-01+6.74626897E-02-4.57147359E-05 3
++1.66707586E-08-2.60416740E-12-1.66263615E+04+2.62565174E+01 4
+NC3H7COC2H4P H 11C 6O 1 G 300.00 5000.00 1380.00 1
++1.92391148E+01+2.51659147E-02-8.57508083E-06+1.32847255E-09-7.69774808E-14 2
+-1.85404890E+04-7.00617026E+01+2.08958703E+00+6.24878115E-02-3.97257078E-05 3
++1.33752941E-08-1.92193795E-12-1.21992557E+04+2.32035207E+01 4
+NC3H7COC2H4S H 11C 6O 1 G 300.00 5000.00 1386.00 1
++1.93409644E+01+2.56927090E-02-8.88365538E-06+1.38917272E-09-8.09982255E-14 2
+-2.33416177E+04-7.39480531E+01+8.23830406E-01+6.74626897E-02-4.57147359E-05 3
++1.66707586E-08-2.60416740E-12-1.66263615E+04+2.62565174E+01 4
+CHCHCHO H 3O 1C 3 G 300.00 5000.00 1394.00 1
++1.02666402E+01+7.09612931E-03-2.47272731E-06+3.88739735E-10-2.27523413E-14 2
++1.51653800E+04-2.79927436E+01+1.20905268E+00+3.19125216E-02-2.93443761E-05 3
++1.38077482E-08-2.58328113E-12+1.79711576E+04+1.93989644E+01 4
+C6H101-3 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H101-4 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H101-5 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+C6H102-4 C 6H 10 G 300.00 5000.00 1396.00 1
++1.72274136E+01+2.28968868E-02-7.84176920E-06+1.21837034E-09-7.07190802E-14 2
+-1.64978530E+03-6.63069861E+01-2.38507596E+00+7.30622234E-02-5.86808335E-05 3
++2.52424911E-08-4.46820100E-12+4.80385112E+03+3.76104460E+01 4
+ETES1 C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+MVOX C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+VTHF C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+EDHF C 6O 1H 10 G 300.00 5000.00 1401.00 1
++1.91884587E+01+2.42677667E-02-8.33134636E-06+1.29673623E-09-7.53674415E-14 2
+-1.54455993E+04-7.73983087E+01-5.96655202E+00+8.90553981E-02-7.35045234E-05 3
++3.14932080E-08-5.45546649E-12-7.32232871E+03+5.55446829E+01 4
+C6H111O2H-4 C 6O 2H 12 G 300.00 5000.00 1392.00 1
++2.41598315E+01+2.64141743E-02-9.16604821E-06+1.43689654E-09-8.39293545E-14 2
+-2.84539273E+04-9.67105334E+01-6.71334306E-01+8.72726302E-02-6.78106371E-05 3
++2.77977889E-08-4.70536630E-12-2.00372603E+04+3.57689620E+01 4
+C6H111O2H-5 C 6O 2H 12 G 300.00 5000.00 1392.00 1
++2.41598315E+01+2.64141743E-02-9.16604821E-06+1.43689654E-09-8.39293545E-14 2
+-2.84539273E+04-9.67105334E+01-6.71334306E-01+8.72726302E-02-6.78106371E-05 3
++2.77977889E-08-4.70536630E-12-2.00372603E+04+3.57689620E+01 4
+C6H111O2H-6 C 6O 2H 12 G 300.00 5000.00 1389.00 1
++2.34008570E+01+2.70661621E-02-9.39242872E-06+1.47237442E-09-8.60004431E-14 2
+-2.61302043E+04-9.14219690E+01+3.11486807E-01+8.10135140E-02-5.85042940E-05 3
++2.22954450E-08-3.54988216E-12-1.80250145E+04+3.27265962E+01 4
+C6H112O2H-4 C 6O 2H 12 G 300.00 5000.00 1390.00 1
++2.38605691E+01+2.67263131E-02-9.28634310E-06+1.45697133E-09-8.51501903E-14 2
+-2.93238663E+04-9.57046301E+01-7.53695219E-01+8.73573674E-02-6.83958497E-05 3
++2.84775641E-08-4.91362774E-12-2.09736202E+04+3.55730105E+01 4
+C6H112O2H-5 C 6O 2H 12 G 300.00 5000.00 1390.00 1
++2.36804698E+01+2.68319366E-02-9.31237637E-06+1.45995807E-09-8.52807436E-14 2
+-2.97893970E+04-9.44537469E+01-9.77786271E-02+8.36152385E-02-6.24511953E-05 3
++2.46774273E-08-4.05915948E-12-2.15666972E+04+3.29610143E+01 4
+C6H112O2H-6 C 6O 2H 12 G 300.00 5000.00 1388.00 1
++2.29488499E+01+2.74438680E-02-9.52133333E-06+1.49235013E-09-8.71576434E-14 2
+-2.74756907E+04-8.93200393E+01+8.02060614E-01+7.77041021E-02-5.36127485E-05 3
++1.94323872E-08-2.95453196E-12-1.95415277E+04+3.03063194E+01 4
+C6H113O2H-2 C 6O 2H 12 G 300.00 5000.00 1391.00 1
++2.39772718E+01+2.66035589E-02-9.23895225E-06+1.44906345E-09-8.46695750E-14 2
+-2.92031812E+04-9.62904636E+01-1.26739750E+00+8.91469732E-02-7.04153407E-05 3
++2.94208766E-08-5.07121703E-12-2.06975087E+04+3.81839670E+01 4
+C6H113O2H-1 C 6O 2H 12 G 300.00 5000.00 1387.00 1
++2.36308952E+01+2.66617050E-02-9.30222928E-06+1.46355920E-09-8.57041772E-14 2
+-2.76274166E+04-9.32063164E+01-1.31133949E-01+8.13310493E-02-5.80494135E-05 3
++2.16450938E-08-3.36477854E-12-1.92042452E+04+3.48562905E+01 4
+NC6D1KET34 C 6O 3H 10 G 300.00 5000.00 1390.00 1
++2.57983094E+01+2.28116397E-02-8.00057802E-06+1.26322558E-09-7.41574060E-14 2
+-4.35413400E+04-1.03594800E+02-8.79937693E-01+9.06618501E-02-7.60486297E-05 3
++3.30211493E-08-5.81958510E-12-3.47639182E+04+3.78353180E+01 4
+NC6D1KET35 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.52251243E+01+2.32468040E-02-8.13790138E-06+1.28321972E-09-7.52598084E-14 2
+-4.39222295E+04-9.98386061E+01+8.59032690E-01+8.49726292E-02-7.03646845E-05 3
++3.07049154E-08-5.49124822E-12-3.58150700E+04+2.95315219E+01 4
+NC6D1KET36 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.46079059E+01+2.38193350E-02-8.34639116E-06+1.31693263E-09-7.72708520E-14 2
+-4.16806989E+04-9.54262876E+01+1.64544868E+00+7.94444833E-02-6.17833446E-05 3
++2.55121988E-08-4.38629485E-12-3.37709382E+04+2.74198430E+01 4
+NC6D1KET43 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.48134658E+01+2.36679402E-02-8.29973712E-06+1.31026548E-09-7.69086532E-14 2
+-4.14850247E+04-9.64574729E+01+1.07756600E+00+8.15204297E-02-6.41161371E-05 3
++2.66231177E-08-4.58072562E-12-3.33626466E+04+3.03700873E+01 4
+NC6D1KET45 C 6O 3H 10 G 300.00 5000.00 1390.00 1
++2.51943125E+01+2.33015181E-02-8.16424277E-06+1.28820260E-09-7.55881804E-14 2
+-4.09300018E+04-9.89201697E+01-1.36114624E+00+9.04259145E-02-7.50375115E-05 3
++3.23037734E-08-5.65763026E-12-3.21505116E+04+4.20073825E+01 4
+NC6D1KET46 C 6O 3H 10 G 300.00 5000.00 1386.00 1
++2.40046171E+01+2.43109061E-02-8.51114087E-06+1.34213064E-09-7.87165658E-14 2
+-3.90699585E+04-9.07535094E+01+1.20615803E+00+7.90495420E-02-6.05529017E-05 3
++2.46670926E-08-4.19757300E-12-3.11658629E+04+3.13918111E+01 4
+NC6D1KET53 C 6O 3H 10 G 300.00 5000.00 1387.00 1
++2.47812957E+01+2.36294207E-02-8.27119017E-06+1.30416539E-09-7.64852162E-14 2
+-4.13548778E+04-9.64100793E+01+1.24868954E+00+8.16249635E-02-6.49725180E-05 3
++2.73590198E-08-4.76412072E-12-3.33627981E+04+2.91095742E+01 4
+NC6D1KET54 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.50907419E+01+2.33708456E-02-8.18394462E-06+1.29083225E-09-7.57230478E-14 2
+-4.13898543E+04-9.84066457E+01-2.01058658E-01+8.54688737E-02-6.79446523E-05 3
++2.80458376E-08-4.74057650E-12-3.28539887E+04+3.64494167E+01 4
+NC6D1KET56 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.37618794E+01+2.45055834E-02-8.57519967E-06+1.35176226E-09-7.92610624E-14 2
+-3.85143810E+04-8.93197157E+01+4.01869706E+00+6.91654483E-02-4.83997299E-05 3
++1.82279228E-08-2.94649828E-12-3.13379792E+04+1.75263729E+01 4
+NC6D1KET63 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.50462110E+01+2.33305307E-02-8.15110144E-06+1.28360076E-09-7.52125954E-14 2
+-3.75927321E+04-9.71357410E+01+1.70060879E+00+8.15598144E-02-6.58032934E-05 3
++2.80678696E-08-4.93297720E-12-2.97393488E+04+2.71300311E+01 4
+NC6D1KET64 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.47760251E+01+2.35073590E-02-8.20009414E-06+1.28997010E-09-7.55308784E-14 2
+-3.80021544E+04-9.53273681E+01+2.15202567E+00+7.90190793E-02-6.20735181E-05 3
++2.58128239E-08-4.44363386E-12-3.03069622E+04+2.54105115E+01 4
+NC6D1KET65 C 6O 3H 10 G 300.00 5000.00 1391.00 1
++2.53952898E+01+2.30473334E-02-8.05738668E-06+1.26947036E-09-7.44126533E-14 2
+-3.76433550E+04-9.93640862E+01-1.48870749E-01+8.73133093E-02-7.16904116E-05 3
++3.05825140E-08-5.31542687E-12-2.91739013E+04+3.62934571E+01 4
+NC6D2KET45 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.53327329E+01+2.32200480E-02-8.14427749E-06+1.28594516E-09-7.54918410E-14 2
+-4.48853627E+04-1.01425531E+02-3.44302412E-01+8.71469094E-02-7.08606252E-05 3
++2.99912727E-08-5.19127430E-12-3.62870364E+04+3.52066066E+01 4
+NC6D2KET46 C 6O 3H 10 G 300.00 5000.00 1438.00 1
++1.47972337E+01+2.63787617E-02-7.98793527E-06+1.13433394E-09-6.15921181E-14 2
+-3.40290783E+04-4.11916841E+01+2.04214382E+00+6.74637140E-02-5.76467507E-05 3
++2.75403606E-08-5.24364424E-12-3.07999075E+04+2.31801511E+01 4
+NC6D2KET54 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.35243117E+01+2.47724587E-02-8.68258702E-06+1.37019527E-09-8.04043024E-14 2
+-3.94701680E+04-8.86810443E+01+3.12404345E+00+6.95391264E-02-4.65433054E-05 3
++1.62779600E-08-2.41180094E-12-3.19606832E+04+2.21368632E+01 4
+NC6D2KET56 C 6O 3H 10 G 300.00 5000.00 1381.00 1
++2.35243117E+01+2.47724587E-02-8.68258702E-06+1.37019527E-09-8.04043024E-14 2
+-3.94701680E+04-8.86810443E+01+3.12404345E+00+6.95391264E-02-4.65433054E-05 3
++1.62779600E-08-2.41180094E-12-3.19606832E+04+2.21368632E+01 4
+NC6D2KET64 C 6O 3H 10 G 300.00 5000.00 1387.00 1
++2.45802947E+01+2.37403050E-02-8.29551027E-06+1.30645583E-09-7.65559206E-14 2
+-3.89364374E+04-9.49639669E+01+2.24971473E+00+7.79953716E-02-6.05507316E-05 3
++2.50027046E-08-4.29772077E-12-3.12647870E+04+2.44367570E+01 4
+NC6D2KET65 C 6O 3H 10 G 300.00 5000.00 1389.00 1
++2.49192976E+01+2.34620561E-02-8.20268998E-06+1.29237940E-09-7.57556255E-14 2
+-3.89849838E+04-9.71351584E+01+4.55809320E-01+8.34466520E-02-6.59538465E-05 3
++2.72040849E-08-4.60895493E-12-3.07073699E+04+3.33547639E+01 4
+NC6D3KET12 C 6O 3H 10 G 300.00 5000.00 1388.00 1
++2.49365998E+01+2.35127695E-02-8.23530308E-06+1.29909614E-09-7.62141294E-14 2
+-3.90472215E+04-9.70899266E+01+4.63076404E-01+8.25462584E-02-6.39189002E-05 3
++2.57434455E-08-4.26673272E-12-3.06739450E+04+3.37910731E+01 4
+NC6D3KET21 C 6O 3H 10 G 300.00 5000.00 1383.00 1
++2.42955905E+01+2.41356158E-02-8.46727186E-06+1.33706691E-09-7.84956336E-14 2
+-4.13270251E+04-9.42415282E+01+2.56357701E+00+7.40872652E-02-5.34164996E-05 3
++2.03460526E-08-3.26583985E-12-3.35688920E+04+2.29823962E+01 4
+C6H112O2-1 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.18247003E+01+2.61477191E-02-9.04382408E-06+1.41447358E-09-8.24824437E-14 2
+-8.68620099E+03-8.26421791E+01+1.72342389E-01+7.96365546E-02-6.17325710E-05 3
++2.58868673E-08-4.53504168E-12-1.31317497E+03+3.28552164E+01 4
+C6H111O2-3 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.18247003E+01+2.61477191E-02-9.04382408E-06+1.41447358E-09-8.24824437E-14 2
+-8.68620099E+03-8.26421791E+01+1.72342389E-01+7.96365546E-02-6.17325710E-05 3
++2.58868673E-08-4.53504168E-12-1.31317497E+03+3.28552164E+01 4
+C6H111O2-4 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.16615043E+01+2.62498570E-02-9.07088524E-06+1.41783876E-09-8.26433939E-14 2
+-9.15007553E+03-8.14781346E+01+2.77529293E-01+7.86289898E-02-6.01042683E-05 3
++2.48490451E-08-4.30167349E-12-1.83062566E+03+3.27344165E+01 4
+C6H111O2-5 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.16615043E+01+2.62498570E-02-9.07088524E-06+1.41783876E-09-8.26433939E-14 2
+-9.15007553E+03-8.14781346E+01+2.77529293E-01+7.86289898E-02-6.01042683E-05 3
++2.48490451E-08-4.30167349E-12-1.83062566E+03+3.27344165E+01 4
+C6H111O2-6 H 11C 6O 2 G 300.00 5000.00 1388.00 1
++2.09441967E+01+2.68874173E-02-9.29709904E-06+1.45380527E-09-8.47641892E-14 2
+-6.85709066E+03-7.64620284E+01+1.27980301E+00+7.21524639E-02-5.02889230E-05 3
++1.89682658E-08-3.05539055E-12+1.81691439E+02+2.96253760E+01 4
+C6H112O2-4 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.13545199E+01+2.65647098E-02-9.19147506E-06+1.43790977E-09-8.38625367E-14 2
+-1.00291675E+04-8.04485096E+01+7.09241510E-01+7.61167882E-02-5.65441627E-05 3
++2.28626264E-08-3.90914815E-12-2.83646907E+03+3.02206800E+01 4
+C6H112O2-5 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.11830704E+01+2.66691844E-02-9.21827673E-06+1.44112100E-09-8.40098554E-14 2
+-1.04865774E+04-7.92293261E+01+8.61603309E-01+7.49248603E-02-5.46729053E-05 3
++2.16848199E-08-3.64611710E-12-3.36167444E+03+2.98764440E+01 4
+C6H112O2-6 H 11C 6O 2 G 300.00 5000.00 1387.00 1
++2.04743827E+01+2.73032958E-02-9.44419009E-06+1.47713579E-09-8.61373934E-14 2
+-8.19960133E+03-7.42677120E+01+1.83281227E+00+6.85685322E-02-4.50094020E-05 3
++1.58888653E-08-2.41748671E-12-1.34425559E+03+2.69157982E+01 4
+C6H113O2-1 H 11C 6O 2 G 300.00 5000.00 1385.00 1
++2.03167587E+01+2.74247868E-02-9.48325138E-06+1.48292781E-09-8.64620193E-14 2
+-8.09917620E+03-7.35400368E+01+2.82240306E+00+6.44791002E-02-3.94590946E-05 3
++1.27102060E-08-1.75876839E-12-1.48617135E+03+2.20302771E+01 4
+C6H113O2-2 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.15210498E+01+2.64199917E-02-9.14096761E-06+1.42997611E-09-8.33989347E-14 2
+-9.92850970E+03-8.13291479E+01-3.02934052E-01+8.03127668E-02-6.22466191E-05 3
++2.61216993E-08-4.58234209E-12-2.49048769E+03+3.50985318E+01 4
+C6H101OOH3-4 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.35865321E+01+2.39558178E-02-8.23516169E-06+1.28335285E-09-7.46678485E-14 2
+-4.17838818E+03-9.04585438E+01+9.52498186E-02+8.03618403E-02-6.06668109E-05 3
++2.37467937E-08-3.80814694E-12+3.83105496E+03+3.51713411E+01 4
+C6H101OOH3-5 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.35865321E+01+2.39558178E-02-8.23516169E-06+1.28335285E-09-7.46678485E-14 2
+-4.17838818E+03-9.04585438E+01+9.52498186E-02+8.03618403E-02-6.06668109E-05 3
++2.37467937E-08-3.80814694E-12+3.83105496E+03+3.51713411E+01 4
+C6H101OOH3-6 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.38720815E+01+2.41660837E-02-8.40279243E-06+1.31902436E-09-7.71170592E-14 2
+-2.89705656E+03-9.25485494E+01-4.56627752E-02+8.40204422E-02-6.75654515E-05 3
++2.86242771E-08-4.98055850E-12+5.09507304E+03+3.46344213E+01 4
+C6H101OOH4-3 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37243515E+01+2.47401711E-02-8.60684147E-06+1.35155980E-09-7.90410535E-14 2
+-1.13413060E+04-9.55723076E+01-9.10297866E-01+8.52583006E-02-6.69192636E-05 3
++2.74969957E-08-4.64326012E-12-3.02468665E+03+3.57766300E+01 4
+C6H101OOH4-5 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.32488323E+01+2.42528100E-02-8.33845278E-06+1.29945460E-09-7.56011681E-14 2
+-4.56843145E+03-8.82821109E+01+6.31714497E-01+7.74646638E-02-5.64802642E-05 3
++2.12731200E-08-3.28310530E-12+3.24910406E+03+3.30550855E+01 4
+C6H101OOH4-6 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37355148E+01+2.42568015E-02-8.42850745E-06+1.32245876E-09-7.72936360E-14 2
+-3.38002357E+03-9.15558475E+01+1.32873065E-01+8.25961968E-02-6.51872823E-05 3
++2.70764415E-08-4.62921664E-12+4.56860069E+03+3.41908856E+01 4
+C6H101OOH5-3 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37243515E+01+2.47401711E-02-8.60684147E-06+1.35155980E-09-7.90410535E-14 2
+-1.13413060E+04-9.55723076E+01-9.10297866E-01+8.52583006E-02-6.69192636E-05 3
++2.74969957E-08-4.64326012E-12-3.02468665E+03+3.57766300E+01 4
+C6H101OOH5-4 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.32488323E+01+2.42528100E-02-8.33845278E-06+1.29945460E-09-7.56011681E-14 2
+-4.56843145E+03-8.82821109E+01+6.31714497E-01+7.74646638E-02-5.64802642E-05 3
++2.12731200E-08-3.28310530E-12+3.24910406E+03+3.30550855E+01 4
+C6H101OOH5-6 H 11C 6O 2 G 300.00 5000.00 1392.00 1
++2.37355148E+01+2.42568015E-02-8.42850745E-06+1.32245876E-09-7.72936360E-14 2
+-3.37882072E+03-9.15558475E+01+1.32873065E-01+8.25961968E-02-6.51872823E-05 3
++2.70764415E-08-4.62921664E-12+4.56980353E+03+3.41908856E+01 4
+C6H101OOH6-3 H 11C 6O 2 G 300.00 5000.00 1389.00 1
++2.30069994E+01+2.53677322E-02-8.82729766E-06+1.38638017E-09-8.10848797E-14 2
+-9.03881549E+03-9.05352219E+01-6.08388291E-04+7.93277090E-02-5.80291325E-05 3
++2.22216224E-08-3.53369351E-12-1.00198828E+03+3.30695740E+01 4
+C6H101OOH6-4 H 11C 6O 2 G 300.00 5000.00 1380.00 1
++2.31648127E+01+2.39156984E-02-8.14392966E-06+1.26186543E-09-7.31481869E-14 2
+-2.51231039E+03-8.68162634E+01+1.12488828E+00+7.30055728E-02-4.89258020E-05 3
++1.62744046E-08-2.13927970E-12+5.34182053E+03+3.23392943E+01 4
+C6H101OOH6-5 H 11C 6O 2 G 300.00 5000.00 1380.00 1
++2.31648127E+01+2.39156984E-02-8.14392966E-06+1.26186543E-09-7.31481869E-14 2
+-2.51231039E+03-8.68162634E+01+1.12488828E+00+7.30055728E-02-4.89258020E-05 3
++1.62744046E-08-2.13927970E-12+5.34182053E+03+3.23392943E+01 4
+C6H101OOH3-4O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH3-5O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH3-6O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.77417137E+01+2.57731343E-02-9.00775991E-06+1.41883954E-09-8.31503458E-14 2
+-2.07971148E+04-1.08180759E+02+1.21543622E+00+9.32821348E-02-7.74588187E-05 3
++3.39724888E-08-6.10567238E-12-1.19955805E+04+3.25594137E+01 4
+C6H101OOH4-3O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH4-5O2 H 11C 6O 4 G 300.00 5000.00 1391.00 1
++2.82642586E+01+2.52451223E-02-8.80643745E-06+1.38537282E-09-8.11177141E-14 2
+-2.34838646E+04-1.11717074E+02+1.29384625E+00+9.53423407E-02-8.12997536E-05 3
++3.63927238E-08-6.62212513E-12-1.46985283E+04+3.08320369E+01 4
+C6H101OOH4-6O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH5-3O2 H 11C 6O 4 G 300.00 5000.00 1390.00 1
++2.84866924E+01+2.50953833E-02-8.76367432E-06+1.37964073E-09-8.08226365E-14 2
+-2.30411917E+04-1.13219092E+02+1.02229563E+00+9.72289536E-02-8.42572926E-05 3
++3.82500314E-08-7.03511167E-12-1.41603382E+04+3.16908172E+01 4
+C6H101OOH5-4O2 H 11C 6O 4 G 300.00 5000.00 1391.00 1
++2.82642586E+01+2.52451223E-02-8.80643745E-06+1.38537282E-09-8.11177141E-14 2
+-2.34838646E+04-1.11717074E+02+1.29384625E+00+9.53423407E-02-8.12997536E-05 3
++3.63927238E-08-6.62212513E-12-1.46985283E+04+3.08320369E+01 4
+C6H101OOH5-6O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH6-3O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.77417137E+01+2.57731343E-02-9.00775991E-06+1.41883954E-09-8.31503458E-14 2
+-2.07971148E+04-1.08180759E+02+1.21543622E+00+9.32821348E-02-7.74588187E-05 3
++3.39724888E-08-6.10567238E-12-1.19955805E+04+3.25594137E+01 4
+C6H101OOH6-4O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H101OOH6-5O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.75912179E+01+2.58612736E-02-9.02901410E-06+1.42117498E-09-8.32456690E-14 2
+-2.12205426E+04-1.06984128E+02+2.04641152E+00+8.98933326E-02-7.28891049E-05 3
++3.13362370E-08-5.55187478E-12-1.26465661E+04+2.88960825E+01 4
+C6H102OOH5-4 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.32752685E+01+2.51409461E-02-8.74931155E-06+1.37423314E-09-8.03786732E-14 2
+-1.26933360E+04-9.35010174E+01-4.02203129E-01+8.18778797E-02-6.19069792E-05 3
++2.45652582E-08-4.03514422E-12-4.54420456E+03+3.32729123E+01 4
+C6H103OOH1-2 H 11C 6O 2 G 300.00 5000.00 1386.00 1
++2.23753433E+01+2.59192338E-02-9.02065197E-06+1.41686858E-09-8.28719949E-14 2
+-1.02813685E+04-8.75969572E+01+1.54280561E+00+7.16314208E-02-4.71541806E-05 3
++1.59384080E-08-2.23271419E-12-2.66822299E+03+2.54748806E+01 4
+C6H102OOH4-5 H 11C 6O 2 G 300.00 5000.00 1386.00 1
++2.32398122E+01+2.41563455E-02-8.28585057E-06+1.28951635E-09-7.49613636E-14 2
+-5.56292849E+03-8.89426926E+01+5.82697759E-01+7.69938922E-02-5.55576336E-05 3
++2.06590703E-08-3.14739197E-12+2.31656586E+03+3.27785094E+01 4
+C6H102OOH4-6 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.34491400E+01+2.45596126E-02-8.54602502E-06+1.34215244E-09-7.84946077E-14 2
+-4.25919499E+03-8.99400439E+01+4.98679078E-02+8.26265919E-02-6.56231370E-05 3
++2.76373931E-08-4.80771067E-12+3.63374932E+03+3.47019993E+01 4
+C6H102OOH5-6 H 11C 6O 2 G 300.00 5000.00 1390.00 1
++2.32562311E+01+2.46734129E-02-8.57419421E-06+1.34539437E-09-7.86366380E-14 2
+-4.71495052E+03-8.86067004E+01+7.03137830E-01+7.89566248E-02-5.98556399E-05 3
++2.39724683E-08-3.98633224E-12+3.03956769E+03+3.20891098E+01 4
+C6H102OOH6-4 H 11C 6O 2 G 300.00 5000.00 1385.00 1
++2.30773623E+01+2.50917259E-02-8.77976000E-06+1.38404736E-09-8.11587377E-14 2
+-1.06363474E+04-9.14736269E+01+5.46105318E-01+7.55506610E-02-5.20172914E-05 3
++1.83934696E-08-2.69131116E-12-2.52256179E+03+3.04271050E+01 4
+C6H102OOH6-5 H 11C 6O 2 G 300.00 5000.00 1375.00 1
++2.28661984E+01+2.40568017E-02-8.17267637E-06+1.26464679E-09-7.32521694E-14 2
+-3.92285482E+03-8.55823037E+01+1.64691737E+00+6.94744642E-02-4.35533729E-05 3
++1.30171015E-08-1.44134516E-12+3.82106194E+03+2.97878034E+01 4
+C6H103OOH2-1 H 11C 6O 2 G 300.00 5000.00 1391.00 1
++2.35706798E+01+2.44362818E-02-8.49919874E-06+1.33441074E-09-7.80267805E-14 2
+-4.14069669E+03-9.05552440E+01-5.12700845E-01+8.46518233E-02-6.80011968E-05 3
++2.88057929E-08-5.01540641E-12+3.91670434E+03+3.75351732E+01 4
+C6H102OOH4-5O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.79894624E+01+2.55285153E-02-8.91538113E-06+1.40355248E-09-8.22240440E-14 2
+-2.43730959E+04-1.10866625E+02+1.58140767E+00+9.35665623E-02-7.88770135E-05 3
++3.51187133E-08-6.38734634E-12-1.56854097E+04+2.89658218E+01 4
+C6H102OOH4-6O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.72773170E+01+2.61796496E-02-9.15059792E-06+1.44140203E-09-8.44746905E-14 2
+-2.21409666E+04-1.06012850E+02+1.77730962E+00+8.96793550E-02-7.21579412E-05 3
++3.08782424E-08-5.46384052E-12-1.35246967E+04+2.98041253E+01 4
+C6H102OOH5-4O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.79894624E+01+2.55285153E-02-8.91538113E-06+1.40355248E-09-8.22240440E-14 2
+-2.43730959E+04-1.10866625E+02+1.58140767E+00+9.35665623E-02-7.88770135E-05 3
++3.51187133E-08-6.38734634E-12-1.56854097E+04+2.89658218E+01 4
+C6H102OOH5-6O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.70950096E+01+2.62942321E-02-9.18082428E-06+1.44512064E-09-8.46497937E-14 2
+-2.25534667E+04-1.04639988E+02+2.61043954E+00+8.62028229E-02-6.74604084E-05 3
++2.81730962E-08-4.89693847E-12-1.41722218E+04+2.61483734E+01 4
+C6H102OOH6-4O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.72773170E+01+2.61796496E-02-9.15059792E-06+1.44140203E-09-8.44746905E-14 2
+-2.21409666E+04-1.06012850E+02+1.77730962E+00+8.96793550E-02-7.21579412E-05 3
++3.08782424E-08-5.46384052E-12-1.35246967E+04+2.98041253E+01 4
+C6H102OOH6-5O2 H 11C 6O 4 G 300.00 5000.00 1387.00 1
++2.70950096E+01+2.62942321E-02-9.18082428E-06+1.44512064E-09-8.46497937E-14 2
+-2.25534667E+04-1.04639988E+02+2.61043954E+00+8.62028229E-02-6.74604084E-05 3
++2.81730962E-08-4.89693847E-12-1.41722218E+04+2.61483734E+01 4
+C6H103OOH2-1O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.74462755E+01+2.60361877E-02-9.10124714E-06+1.43372336E-09-8.40289184E-14 2
+-2.20407968E+04-1.06906811E+02+7.41773416E-01+9.40159244E-02-7.80995580E-05 3
++3.42988822E-08-6.17488044E-12-1.31761876E+04+3.47824369E+01 4
+C6H103OOH1-2O2 H 11C 6O 4 G 300.00 5000.00 1389.00 1
++2.74462755E+01+2.60361877E-02-9.10124714E-06+1.43372336E-09-8.40289184E-14 2
+-2.20407968E+04-1.06906811E+02+7.41773416E-01+9.40159244E-02-7.80995580E-05 3
++3.42988822E-08-6.17488044E-12-1.31761876E+04+3.47824369E+01 4
+C2H3COC3H7 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.86909693E+01+2.41939465E-02-8.38233377E-06+1.31252224E-09-7.65989643E-14 2
+-2.95692017E+04-7.05828250E+01+4.46467269E-01+6.64586762E-02-4.70073659E-05 3
++1.79961137E-08-2.93748963E-12-2.30628492E+04+2.77541300E+01 4
+C5H81-4 C 5H 8 G 300.00 5000.00 1393.00 1
++1.35352242E+01+1.85170786E-02-6.26984814E-06+9.66983255E-10-5.58485033E-14 2
++6.00118884E+03-4.62552894E+01-1.64766327E+00+5.54190112E-02-4.12156069E-05 3
++1.62877209E-08-2.66483052E-12+1.11493804E+04+3.48094470E+01 4
+C5H91O2-3 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++1.86702210E+01+2.16216768E-02-7.48512415E-06+1.17139079E-09-6.83358511E-14 2
+-5.94893165E+03-6.78134047E+01+3.43181024E-01+6.76700566E-02-5.38079915E-05 3
++2.31484493E-08-4.14073100E-12+2.25231466E+02+2.96899952E+01 4
+C5H91O2-4 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++1.84021744E+01+2.17923554E-02-7.53113607E-06+1.17721317E-09-6.86192272E-14 2
+-6.36049709E+03-6.60160803E+01+8.29161679E-01+6.49730353E-02-4.98486874E-05 3
++2.07535028E-08-3.62109673E-12-3.48709260E+02+2.78111162E+01 4
+C5H91O2-5 C 5O 2H 9 G 300.00 5000.00 1388.00 1
++1.77874223E+01+2.23672091E-02-7.74125889E-06+1.21125611E-09-7.06521652E-14 2
+-4.11946666E+03-6.30035459E+01+1.45241685E+00+6.01856302E-02-4.23740334E-05 3
++1.62426968E-08-2.66522777E-12+1.71964569E+03+2.50683944E+01 4
+C5H81OOH3-4 C 5O 2H 9 G 300.00 5000.00 1387.00 1
++2.04736244E+01+1.93718338E-02-6.65285950E-06+1.03631449E-09-6.02831329E-14 2
+-1.02391566E+02-7.51780148E+01+3.21512682E-01+6.81363037E-02-5.23290322E-05 3
++2.07388630E-08-3.35294073E-12+6.71931786E+03+3.24418970E+01 4
+C5H81OOH3-5 C 5O 2H 9 G 300.00 5000.00 1391.00 1
++2.07195327E+01+1.96364025E-02-6.84241764E-06+1.07563823E-09-6.29511640E-14 2
++1.19896467E+03-7.63467720E+01+1.22655285E-01+7.20652015E-02-5.96557159E-05 3
++2.58930340E-08-4.58741292E-12+7.99306548E+03+3.28640779E+01 4
+C5H81OOH4-3 C 5O 2H 9 G 300.00 5000.00 1395.00 1
++2.13003585E+01+1.95078183E-02-6.78481644E-06+1.06526973E-09-6.22918022E-14 2
+-6.03638639E+03-8.32373187E+01-1.09905666E+00+7.85076363E-02-6.81368662E-05 3
++3.06237682E-08-5.54283245E-12+1.12681194E+03+3.47817523E+01 4
+C5H81OOH4-5 C 5O 2H 9 G 300.00 5000.00 1392.00 1
++2.05400792E+01+1.97587133E-02-6.87784366E-06+1.08045541E-09-6.32025760E-14 2
++7.38073415E+02-7.50954151E+01+3.38002912E-01+7.05163186E-02-5.72050085E-05 3
++2.43500517E-08-4.24439952E-12+7.46051091E+03+3.22447136E+01 4
+C5H81OOH5-4 C 5O 2H 9 G 300.00 5000.00 1378.00 1
++1.99797637E+01+1.94783902E-02-6.63044969E-06+1.02741023E-09-5.95687008E-14 2
++1.58234802E+03-7.18412080E+01+1.40984227E+00+6.05508825E-02-4.03214237E-05 3
++1.31746719E-08-1.67859779E-12+8.22059330E+03+2.86434933E+01 4
+C5H81OOH5-3 C 5O 2H 9 G 300.00 5000.00 1392.00 1
++2.06841270E+01+2.00877308E-02-6.99755273E-06+1.09981315E-09-6.43576906E-14 2
+-3.79637676E+03-8.02196830E+01-4.80015195E-01+7.37366908E-02-6.06933626E-05 3
++2.61394273E-08-4.59439636E-12+3.19591805E+03+3.20592964E+01 4
+C5H92O2-1 C 5O 2H 9 G 300.00 5000.00 1382.00 1
++1.73081531E+01+2.28361563E-02-7.91701528E-06+1.24017112E-09-7.23964243E-14 2
+-4.77473659E+03-6.09976106E+01+3.26704287E+00+5.11396085E-02-2.90627615E-05 3
++8.29183575E-09-9.77238694E-13+6.87723123E+02+1.62365492E+01 4
+C5H81OOH3-4O2 C 5O 4H 9 G 300.00 5000.00 1391.00 1
++2.51899540E+01+2.06629888E-02-7.23143253E-06+1.14009288E-09-6.68582448E-14 2
+-2.02995332E+04-9.58973374E+01+7.00675697E-01+8.61763030E-02-7.69681261E-05 3
++3.56494726E-08-6.63419204E-12-1.25103846E+04+3.28746076E+01 4
+C5H81OOH3-5O2 C 5O 4H 9 G 300.00 5000.00 1388.00 1
++2.45930237E+01+2.12211773E-02-7.43558644E-06+1.17319038E-09-6.88358634E-14 2
+-1.80568519E+04-9.33693862E+01+1.50852696E+00+8.07768050E-02-6.87240343E-05 3
++3.07180782E-08-5.59438096E-12-1.04758678E+04+2.88278214E+01 4
+C5H81OOH4-3O2 C 5O 4H 9 G 300.00 5000.00 1391.00 1
++2.51899540E+01+2.06629888E-02-7.23143253E-06+1.14009288E-09-6.68582448E-14 2
+-2.02995332E+04-9.58973374E+01+7.00675697E-01+8.61763030E-02-7.69681261E-05 3
++3.56494726E-08-6.63419204E-12-1.25103846E+04+3.28746076E+01 4
+C5H81OOH4-5O2 C 5O 4H 9 G 300.00 5000.00 1389.00 1
++2.43180086E+01+2.14111651E-02-7.49110481E-06+1.18078372E-09-6.92336785E-14 2
+-1.84737378E+04-9.15550695E+01+1.76455657E+00+7.89923440E-02-6.60490017E-05 3
++2.90938793E-08-5.24124922E-12-1.10119071E+04+2.80364294E+01 4
+C5H81OOH5-3O2 C 5O 4H 9 G 300.00 5000.00 1388.00 1
++2.45930237E+01+2.12211773E-02-7.43558644E-06+1.17319038E-09-6.88358634E-14 2
+-1.80568519E+04-9.33693862E+01+1.50852696E+00+8.07768050E-02-6.87240343E-05 3
++3.07180782E-08-5.59438096E-12-1.04758678E+04+2.88278214E+01 4
+C5H81OOH5-4O2 C 5O 4H 9 G 300.00 5000.00 1389.00 1
++2.43180086E+01+2.14111651E-02-7.49110481E-06+1.18078372E-09-6.92336785E-14 2
+-1.84737378E+04-9.15550695E+01+1.76455657E+00+7.89923440E-02-6.60490017E-05 3
++2.90938793E-08-5.24124922E-12-1.10119071E+04+2.80364294E+01 4
+NC5D1KET34 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET35 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET43 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET45 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET53 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+NC5D1KET54 C 5H 8O 3 G 300.00 5000.00 1385.00 1
++2.14757522E+01+1.92472750E-02-6.76598303E-06+1.06986594E-09-6.28685877E-14 2
+-3.75872106E+04-8.07109370E+01+1.82097767E+00+6.74699547E-02-5.38264037E-05 3
++2.27270486E-08-3.97590535E-12-3.08745570E+04+2.42292350E+01 4
+CY3C5H8O C 5H 8O 1 G 300.00 5000.00 1402.00 1
++1.67912845E+01+1.86881223E-02-6.41180595E-06+9.97554346E-10-5.79620662E-14 2
+-1.05005341E+04-6.49852651E+01-4.02699181E+00+7.41038879E-02-6.41370347E-05 3
++2.86307024E-08-5.12072635E-12-3.95617677E+03+4.44028774E+01 4
+C5H92O2-4 C 5O 2H 9 G 300.00 5000.00 1386.00 1
++1.87422756E+01+2.13380683E-02-7.43357984E-06+1.16828688E-09-6.83588686E-14 2
+-7.54450706E+03-6.87582545E+01+9.01375645E-01+6.38528130E-02-4.77374522E-05 3
++1.92787152E-08-3.28774895E-12-1.29733332E+03+2.69893904E+01 4
+C5H92O2-5 C 5O 2H 9 G 300.00 5000.00 1383.00 1
++1.78573852E+01+2.20909964E-02-7.69351743E-06+1.20887677E-09-7.07226905E-14 2
+-5.71648590E+03-6.32438068E+01+2.01314892E+00+5.63508696E-02-3.62787502E-05 3
++1.23633332E-08-1.81156485E-12+1.96633604E+02+2.30545262E+01 4
+C5H82OOH4-5 C 5O 2H 9 G 300.00 5000.00 1390.00 1
++2.02523998E+01+2.00480932E-02-6.98766359E-06+1.09864079E-09-6.43037097E-14 2
+-1.44634187E+02-7.41677167E+01+6.61394013E-01+6.85351930E-02-5.44450677E-05 3
++2.28501169E-08-3.95647262E-12+6.46965092E+03+3.02230223E+01 4
+C5H82OOH5-4 C 5O 2H 9 G 300.00 5000.00 1386.00 1
++1.94018576E+01+2.12205528E-02-7.39842947E-06+1.16347432E-09-6.81095377E-14 2
+-5.23334287E+03-7.36138989E+01+6.35397416E-01+6.41576696E-02-4.53679801E-05 3
++1.67174432E-08-2.56598098E-12+1.43967333E+03+2.76051099E+01 4
+C5H82OOH4-5O2 C 5O 4H 9 G 300.00 5000.00 1385.00 1
++2.47038351E+01+2.08612744E-02-7.34831615E-06+1.16354536E-09-6.84394748E-14 2
+-1.96566109E+04-9.45061735E+01+2.01349275E+00+7.72630274E-02-6.31038478E-05 3
++2.70928041E-08-4.78676630E-12-1.19932070E+04+2.63607326E+01 4
+C5H82OOH5-4O2 C 5O 4H 9 G 300.00 5000.00 1385.00 1
++2.47038351E+01+2.08612744E-02-7.34831615E-06+1.16354536E-09-6.84394748E-14 2
+-1.96566109E+04-9.45061735E+01+2.01349275E+00+7.72630274E-02-6.31038478E-05 3
++2.70928041E-08-4.78676630E-12-1.19932070E+04+2.63607326E+01 4
+NC5D2KET45 C 5H 8O 3 G 300.00 5000.00 1379.00 1
++2.09987749E+01+1.97036451E-02-6.93515196E-06+1.09752667E-09-6.45309266E-14 2
+-3.79899302E+04-7.93500933E+01+3.71881929E+00+5.80429795E-02-3.99351130E-05 3
++1.44076499E-08-2.20489062E-12-3.16671772E+04+1.43761257E+01 4
+NC5D2KET54 C 5H 8O 3 G 300.00 5000.00 1386.00 1
++2.16296900E+01+1.91055629E-02-6.71524234E-06+1.06179912E-09-6.23944658E-14 2
+-3.53019453E+04-8.07651220E+01+1.61871337E+00+6.65051584E-02-5.04588167E-05 3
++1.98352113E-08-3.21601142E-12-2.83651200E+04+2.65655885E+01 4
+IC5H12 C 5H 12 G 300.00 5000.00 1390.00 1
++1.57545572E+01+2.63925840E-02-9.07431001E-06+1.41352979E-09-8.21942294E-14 2
+-2.70716747E+04-6.15171687E+01-1.19612542E+00+6.27763972E-02-3.86703566E-05 3
++1.23853668E-08-1.66433269E-12-2.07618289E+04+3.08281594E+01 4
+AC5H11 H 11C 5 G 300.00 5000.00 1389.00 1
++1.53402738E+01+2.42432570E-02-8.34319703E-06+1.30047471E-09-7.56543396E-14 2
+-2.00798022E+03-5.64358577E+01-4.41189766E-01+5.82769785E-02-3.62582727E-05 3
++1.17829592E-08-1.61384222E-12+3.85322010E+03+2.94875430E+01 4
+BC5H11 H 11C 5 G 300.00 5000.00 1378.00 1
++1.38978149E+01+2.54963909E-02-8.78132157E-06+1.36944491E-09-7.96929021E-14 2
+-3.85892889E+03-4.73886894E+01+2.35820469E+00+4.30754444E-02-1.43015489E-05 3
+-1.04411703E-09+1.06104659E-12+1.20929341E+03+1.81181461E+01 4
+CC5H11 H 11C 5 G 300.00 5000.00 1384.00 1
++1.49364897E+01+2.42796217E-02-8.29146318E-06+1.28598475E-09-7.45598253E-14 2
+-3.26451818E+03-5.37259413E+01-1.19871928E-01+5.38690197E-02-2.83955259E-05 3
++6.45727746E-09-3.73260779E-13+2.56014235E+03+2.91794990E+01 4
+DC5H11 H 11C 5 G 300.00 5000.00 1389.00 1
++1.53402738E+01+2.42432570E-02-8.34319703E-06+1.30047471E-09-7.56543396E-14 2
+-2.00798022E+03-5.64358577E+01-4.41189766E-01+5.82769785E-02-3.62582727E-05 3
++1.17829592E-08-1.61384222E-12+3.85322010E+03+2.94875430E+01 4
+AC5H10 C 5H 10 G 300.00 5000.00 1391.00 1
++1.45614087E+01+2.25370538E-02-7.70100060E-06+1.19467870E-09-6.92704808E-14 2
+-1.18004520E+04-5.30651959E+01-2.76630603E-01+5.53539280E-02-3.54499620E-05 3
++1.19626854E-08-1.69878242E-12-6.39547297E+03+2.73911578E+01 4
+BC5H10 C 5H 10 G 300.00 5000.00 1385.00 1
++1.39945443E+01+2.29446582E-02-7.82594153E-06+1.21260230E-09-7.02518457E-14 2
+-1.31576943E+04-5.04083848E+01+1.20274147E+00+4.78872107E-02-2.48144766E-05 3
++5.73514355E-09-3.91266685E-13-8.15212335E+03+2.01592579E+01 4
+CC5H10 C 5H 10 G 300.00 5000.00 1393.00 1
++1.46491909E+01+2.25422061E-02-7.72053001E-06+1.19958604E-09-6.96317745E-14 2
+-1.11652332E+04-5.42252285E+01-1.83685605E+00+6.07709466E-02-4.21592576E-05 3
++1.56103972E-08-2.43142766E-12-5.34864282E+03+3.45203543E+01 4
+AC5H9-A2 C 5H 9 G 300.00 5000.00 1395.00 1
++1.49750409E+01+2.01225887E-02-6.88146417E-06+1.06814445E-09-6.19590521E-14 2
++6.44627469E+03-5.54559389E+01-1.21033758E+00+5.99270218E-02-4.54161848E-05 3
++1.84720758E-08-3.12471510E-12+1.19236049E+04+3.08551263E+01 4
+AC5H9-C C 5H 9 G 300.00 5000.00 1391.00 1
++1.41589519E+01+2.08476156E-02-7.13922935E-06+1.10922683E-09-6.43869471E-14 2
++5.29567020E+03-5.21277925E+01-5.80051463E-01+5.36314838E-02-3.49295541E-05 3
++1.18648559E-08-1.67777526E-12+1.06267222E+04+2.76937030E+01 4
+AC5H9-D C 5H 9 G 300.00 5000.00 1391.00 1
++1.41324788E+01+2.04049427E-02-6.97672248E-06+1.08277127E-09-6.28002919E-14 2
++1.32704144E+04-4.78974756E+01+5.16043332E-01+5.06942079E-02-3.28148436E-05 3
++1.12295970E-08-1.62046694E-12+1.82137239E+04+2.58745040E+01 4
+CC5H9-A C 5H 9 G 300.00 5000.00 1393.00 1
++1.42217097E+01+2.04119170E-02-6.99754727E-06+1.08794956E-09-6.31801197E-14 2
++1.39046190E+04-4.90671831E+01-1.05084059E+00+5.61469987E-02-3.95783698E-05 3
++1.49122501E-08-2.36114833E-12+1.92613631E+04+3.30330899E+01 4
+CC5H9-B C 5H 9 G 300.00 5000.00 1390.00 1
++1.37488177E+01+2.12968668E-02-7.31667105E-06+1.13927710E-09-6.62322892E-14 2
++4.95421077E+03-5.04875121E+01-1.34298383E+00+5.40081867E-02-3.39256098E-05 3
++1.08403555E-08-1.41074687E-12+1.04932842E+04+3.15398815E+01 4
+AC5H9O-A2 C 5H 9O 1 G 300.00 5000.00 1389.00 1
++1.67122590E+01+2.04099546E-02-6.90863640E-06+1.06549630E-09-6.15447496E-14 2
+-3.50286187E+03-6.02787551E+01+5.17938968E-01+5.70752047E-02-3.82547549E-05 3
++1.31238593E-08-1.82693101E-12+2.22660063E+03+2.70905436E+01 4
+AC5H9O-C C 5H 9O 1 G 300.00 5000.00 1395.00 1
++1.85587275E+01+1.84066669E-02-6.13501346E-06+9.37166339E-10-5.37971701E-14 2
+-6.48338717E+03-7.12211423E+01-1.71420068E+00+6.90797467E-02-5.47098033E-05 3
++2.21062909E-08-3.58067814E-12+1.31695143E+02+3.63260717E+01 4
+CC5H9O-B C 5H 9O 1 G 300.00 5000.00 1462.00 1
++2.16481795E+01+1.80406173E-02-6.50182738E-06+1.04533712E-09-6.21435998E-14 2
+-9.81113059E+03-7.07098941E+01+3.19377260E+00+4.36720049E-02-6.98357532E-06 3
+-1.04919571E-08+3.89181602E-12-1.82629880E+03+3.43211965E+01 4
+AC5H11O2H C 5O 2H 12 G 300.00 5000.00 1389.00 1
++2.15869555E+01+2.60547378E-02-9.04237813E-06+1.41759111E-09-8.28040951E-14 2
+-3.92453114E+04-8.56421742E+01+4.44069067E-02+7.54766150E-02-5.29823124E-05 3
++1.95568070E-08-3.02181540E-12-3.15882975E+04+3.05187853E+01 4
+BC5H11O2H C 5O 2H 12 G 300.00 5000.00 1390.00 1
++2.23401401E+01+2.54352935E-02-8.83297551E-06+1.38533290E-09-8.09425716E-14 2
+-4.24295728E+04-9.23957723E+01-3.97508721E-01+8.06823461E-02-6.18334513E-05 3
++2.52285752E-08-4.28329298E-12-3.46399602E+04+2.91428737E+01 4
+CC5H11O2H C 5O 2H 12 G 300.00 5000.00 1391.00 1
++2.23595350E+01+2.53908945E-02-8.81185324E-06+1.38146156E-09-8.06948998E-14 2
+-4.18265064E+04-9.09747015E+01-9.88450790E-01+8.19484869E-02-6.25711181E-05 3
++2.52160156E-08-4.20884962E-12-3.38441892E+04+3.38309021E+01 4
+DC5H11O2H C 5O 2H 12 G 300.00 5000.00 1389.00 1
++2.15869555E+01+2.60547378E-02-9.04237813E-06+1.41759111E-09-8.28040951E-14 2
+-3.92453114E+04-8.63316558E+01+4.44069067E-02+7.54766150E-02-5.29823124E-05 3
++1.95568070E-08-3.02181540E-12-3.15882975E+04+2.98293036E+01 4
+AC5H11O2 H 11C 5O 2 G 300.00 5000.00 1387.00 1
++1.91305682E+01+2.58734361E-02-8.94564539E-06+1.39874818E-09-8.15496670E-14 2
+-2.13288691E+04-7.13684976E+01+1.04508498E+00+6.64953216E-02-4.46034597E-05 3
++1.61325645E-08-2.50633537E-12-1.47457019E+04+2.65731566E+01 4
+BC5H11O2 H 11C 5O 2 G 300.00 5000.00 1389.00 1
++1.98915257E+01+2.52452528E-02-8.73274408E-06+1.36589254E-09-7.96512543E-14 2
+-2.45148127E+04-7.81645112E+01+5.49333341E-01+7.19635121E-02-5.38513921E-05 3
++2.20477878E-08-3.82067005E-12-1.77899294E+04+2.54413184E+01 4
+CC5H11O2 H 11C 5O 2 G 300.00 5000.00 1390.00 1
++1.98562654E+01+2.52285636E-02-8.71686439E-06+1.36237600E-09-7.94050428E-14 2
+-2.38775750E+04-7.64008223E+01-4.18072125E-02+7.33312133E-02-5.49267268E-05 3
++2.23135986E-08-3.81632892E-12-1.69961470E+04+3.01128849E+01 4
+DC5H11O2 H 11C 5O 2 G 300.00 5000.00 1387.00 1
++1.91305682E+01+2.58734361E-02-8.94564539E-06+1.39874818E-09-8.15496670E-14 2
+-2.13288691E+04-7.20579792E+01+1.04508498E+00+6.64953216E-02-4.46034597E-05 3
++1.61325645E-08-2.50633537E-12-1.47457019E+04+2.58836750E+01 4
+AC5H11O H 11C 5O 1 G 300.00 5000.00 1393.00 1
++1.75869049E+01+2.45367427E-02-8.37092452E-06+1.29739442E-09-7.51829993E-14 2
+-1.95805248E+04-6.59883636E+01-9.19732265E-01+6.67848684E-02-4.52387295E-05 3
++1.59896239E-08-2.33753316E-12-1.30295529E+04+3.37952790E+01 4
+BC5H11O H 11C 5O 1 G 300.00 5000.00 1394.00 1
++1.82069801E+01+2.41156964E-02-8.24753836E-06+1.28029203E-09-7.42707701E-14 2
+-2.31211937E+04-7.15376167E+01-9.58911487E-01+7.02275401E-02-5.16299649E-05 3
++2.02646116E-08-3.31507815E-12-1.65446528E+04+3.10108152E+01 4
+CC5H11O H 11C 5O 1 G 300.00 5000.00 1394.00 1
++1.79690528E+01+2.45047519E-02-8.42212090E-06+1.31167041E-09-7.62623929E-14 2
+-2.18981212E+04-6.91606112E+01-1.17934351E+00+6.99941133E-02-5.06899867E-05 3
++1.96175724E-08-3.17877376E-12-1.52526970E+04+3.35279941E+01 4
+DC5H11O H 11C 5O 1 G 300.00 5000.00 1393.00 1
++1.75869049E+01+2.45367427E-02-8.37092452E-06+1.29739442E-09-7.51829993E-14 2
+-1.95805248E+04-6.66778452E+01-9.19732265E-01+6.67848684E-02-4.52387295E-05 3
++1.59896239E-08-2.33753316E-12-1.30295529E+04+3.31057974E+01 4
+AC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.05905291E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.90353800E+01 4
+AC5H10OOH-B H 11C 5O 2 G 300.00 5000.00 1396.00 1
++1.83971804E+01+2.51599624E-02-8.49818403E-06+1.30795807E-09-7.54165072E-14 2
+-1.43214038E+04-6.12419736E+01+3.58789128E+00+5.71245256E-02-3.42556446E-05 3
++1.05253611E-08-1.31115444E-12-8.87735184E+03+1.92877629E+01 4
+AC5H10OOH-C H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.12375512E+01+2.31283536E-02-7.89600878E-06+1.22535095E-09-7.11019018E-14 2
+-1.55928844E+04-8.04254070E+01+9.16725969E-01+6.72427603E-02-4.31327712E-05 3
++1.34482819E-08-1.60817257E-12-8.23140321E+03+2.98515047E+01 4
+AC5H10OOH-D H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.05905291E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.90353800E+01 4
+BC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.19189546E+01+2.32732351E-02-8.09345412E-06+1.27055477E-09-7.42859874E-14 2
+-1.73602442E+04-8.72651740E+01+5.11498358E-01+7.54442595E-02-5.82826916E-05 3
++2.38983670E-08-4.06813453E-12-1.00467158E+04+2.71001483E+01 4
+BC5H10OOH-C H 11C 5O 2 G 300.00 5000.00 1387.00 1
++2.14861952E+01+2.33370570E-02-8.05076237E-06+1.25735030E-09-7.32587422E-14 2
+-1.85948986E+04-8.43704486E+01+9.24581905E-01+7.06635159E-02-4.98634535E-05 3
++1.82112320E-08-2.74283122E-12-1.13548266E+04+2.63586978E+01 4
+BC5H10OOH-D H 11C 5O 2 G 300.00 5000.00 1390.00 1
++2.19189546E+01+2.32732351E-02-8.09345412E-06+1.27055477E-09-7.42859874E-14 2
+-1.73602442E+04-8.72651740E+01+5.11498358E-01+7.54442595E-02-5.82826916E-05 3
++2.38983670E-08-4.06813453E-12-1.00467158E+04+2.71001483E+01 4
+CC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1391.00 1
++2.19354136E+01+2.32306883E-02-8.07273382E-06+1.26671388E-09-7.40385402E-14 2
+-1.67498552E+04-8.58152001E+01-1.63294785E-01+7.72022052E-02-5.98591721E-05 3
++2.44432949E-08-4.12159119E-12-9.24143418E+03+3.21519047E+01 4
+CC5H10OOH-B H 11C 5O 2 G 300.00 5000.00 1383.00 1
++2.05037039E+01+2.44417681E-02-8.48903925E-06+1.33151458E-09-7.78033634E-14 2
+-1.85742448E+04-7.74485218E+01+3.35857532E+00+5.91592771E-02-3.38846200E-05 3
++9.18399374E-09-9.16127182E-13-1.20054171E+04+1.66606404E+01 4
+CC5H10OOH-D H 11C 5O 2 G 300.00 5000.00 1391.00 1
++2.19354136E+01+2.32306883E-02-8.07273382E-06+1.26671388E-09-7.40385402E-14 2
+-1.67498552E+04-8.58152001E+01-1.63294785E-01+7.72022052E-02-5.98591721E-05 3
++2.44432949E-08-4.12159119E-12-9.24143418E+03+3.21519047E+01 4
+DC5H10OOH-A H 11C 5O 2 G 300.00 5000.00 1388.00 1
++2.11791318E+01+2.38906528E-02-8.30419248E-06+1.30323110E-09-7.61802631E-14 2
+-1.41812331E+04-8.16876605E+01+8.29191858E-01+7.08644395E-02-5.04079129E-05 3
++1.88497696E-08-2.94703078E-12-6.97837519E+03+2.79382486E+01 4
+DC5H10OOH-B H 11C 5O 2 G 300.00 5000.00 1378.00 1
++1.97619617E+01+2.51237235E-02-8.73586300E-06+1.37125464E-09-8.01665463E-14 2
+-1.60405748E+04-7.30602183E+01+3.96384200E+00+5.42183007E-02-2.62672446E-05 3
++4.65724194E-09+3.00460518E-14-9.67478947E+03+1.47219740E+01 4
+DC5H10OOH-C H 11C 5O 2 G 300.00 5000.00 1379.00 1
++2.12375512E+01+2.31283536E-02-7.89600878E-06+1.22535095E-09-7.11019018E-14 2
+-1.55928844E+04-8.11148886E+01+9.16725969E-01+6.72427603E-02-4.31327712E-05 3
++1.34482819E-08-1.60817257E-12-8.23140321E+03+2.91620231E+01 4
+A-AC5H10O C 5O 1H 10 G 300.00 5000.00 1371.00 1
++1.80576624E+01+2.21664890E-02-7.87642300E-06+1.25444585E-09-7.40861328E-14 2
+-2.50353632E+04-7.53718782E+01-3.12406832E+00+6.53619579E-02-3.97637688E-05 3
++1.12697830E-08-1.18120030E-12-1.69737388E+04+4.07521583E+01 4
+A-BC5H10O C 5O 1H 10 G 300.00 5000.00 1382.00 1
++1.86652877E+01+2.13598734E-02-7.52975880E-06+1.19287800E-09-7.01891378E-14 2
+-2.77496616E+04-7.75749394E+01-2.76334033E+00+7.23487211E-02-5.55616263E-05 3
++2.25658441E-08-3.82992076E-12-2.02677933E+04+3.74075826E+01 4
+A-CC5H10O C 5O 1H 10 G 300.00 5000.00 1373.00 1
++1.87148832E+01+2.16122625E-02-7.68638433E-06+1.22492227E-09-7.23734176E-14 2
+-2.74336223E+04-7.86661849E+01-3.51633623E+00+6.86975884E-02-4.46579237E-05 3
++1.40670556E-08-1.74934766E-12-1.91663581E+04+4.25589840E+01 4
+A-DC5H10O C 5O 1H 10 G 300.00 5000.00 1368.00 1
++1.73081373E+01+2.28491250E-02-8.12276465E-06+1.29408434E-09-7.64438847E-14 2
+-3.52062516E+04-7.10628522E+01-4.14429760E+00+6.51989562E-02-3.73536626E-05 3
++9.22783007E-09-6.73298964E-13-2.69163477E+04+4.70167331E+01 4
+B-CC5H10O C 5O 1H 10 G 300.00 5000.00 1385.00 1
++1.92598600E+01+2.08099611E-02-7.32974772E-06+1.16055317E-09-6.82613470E-14 2
+-3.00830774E+04-8.18004129E+01-3.37535249E+00+7.70352310E-02-6.28442248E-05 3
++2.69389203E-08-4.75190161E-12-2.24367836E+04+3.87826632E+01 4
+B-DC5H10O C 5O 1H 10 G 300.00 5000.00 1373.00 1
++1.87653667E+01+2.15362849E-02-7.65224713E-06+1.21871934E-09-7.19753198E-14 2
+-2.85747158E+04-8.06460279E+01-2.73108687E+00+6.70391324E-02-4.35138990E-05 3
++1.38175873E-08-1.75593164E-12-2.05593275E+04+3.66133237E+01 4
+C-DC5H10O C 5O 1H 10 G 300.00 5000.00 1383.00 1
++1.85201884E+01+2.14489156E-02-7.55266486E-06+1.19562146E-09-7.03146400E-14 2
+-2.65081886E+04-7.62917959E+01-3.17722836E+00+7.29625837E-02-5.57042158E-05 3
++2.23478002E-08-3.73315078E-12-1.89470828E+04+4.01292996E+01 4
+AC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.75894162E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.57292878E+01 4
+AC5H10OOH-BO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.02781946E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.38579305E+01 4
+AC5H10OOH-CO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+AC5H10OOH-DO2 H 11C 5O 4 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.68999345E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.64187695E+01 4
+BC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.02781946E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.38579305E+01 4
+BC5H10OOH-CO2 H 11C 5O 4 G 300.00 5000.00 1390.00 1
++2.63952675E+01+2.43055030E-02-8.48674313E-06+1.33591350E-09-7.82551637E-14 2
+-3.90346893E+04-1.07185707E+02+1.10269679E+00+8.96149117E-02-7.57659375E-05 3
++3.37962095E-08-6.15184496E-12-3.07320340E+04+2.66826386E+01 4
+BC5H10OOH-DO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.03471427E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.31684489E+01 4
+CC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+CC5H10OOH-BO2 H 11C 5O 4 G 300.00 5000.00 1390.00 1
++2.63952675E+01+2.43055030E-02-8.48674313E-06+1.33591350E-09-7.82551637E-14 2
+-3.90346893E+04-1.07185707E+02+1.10269679E+00+8.96149117E-02-7.57659375E-05 3
++3.37962095E-08-6.15184496E-12-3.07320340E+04+2.66826386E+01 4
+CC5H10OOH-DO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+DC5H10OOH-AO2 H 11C 5O 4 G 300.00 5000.00 1386.00 1
++2.50520466E+01+2.55131460E-02-8.91854409E-06+1.40493521E-09-8.23407399E-14 2
+-3.33670748E+04-9.68999345E+01+2.05922284E+00+8.03984990E-02-6.08275771E-05 3
++2.45850093E-08-4.16820391E-12-2.53523898E+04+2.64187695E+01 4
+DC5H10OOH-BO2 H 11C 5O 4 G 300.00 5000.00 1387.00 1
++2.57755531E+01+2.48880708E-02-8.70043618E-06+1.37061896E-09-8.03312626E-14 2
+-3.65351712E+04-1.03471427E+02+2.02757055E+00+8.36374442E-02-6.66559936E-05 3
++2.83390094E-08-4.99889009E-12-2.84620740E+04+2.31684489E+01 4
+DC5H10OOH-CO2 H 11C 5O 4 G 300.00 5000.00 1388.00 1
++2.56730505E+01+2.49303331E-02-8.70500104E-06+1.37028133E-09-8.02689026E-14 2
+-3.58640167E+04-1.01305605E+02+1.45756134E+00+8.49861310E-02-6.78807784E-05 3
++2.87769313E-08-5.04418958E-12-2.76727431E+04+2.77305067E+01 4
+IC5KETAA C 5O 3H 10 G 300.00 5000.00 1388.00 1
++2.27018201E+01+2.27623983E-02-7.95317701E-06+1.25254826E-09-7.33995564E-14 2
+-4.88049225E+04-8.74481434E+01+5.36600103E-01+7.50896887E-02-5.59977257E-05 3
++2.17307506E-08-3.48563492E-12-4.11064564E+04+3.14936271E+01 4
+IC5KETAB C 5O 3H 10 G 300.00 5000.00 1389.00 1
++2.40842006E+01+2.16434154E-02-7.58091068E-06+1.19599268E-09-7.01732329E-14 2
+-5.18763832E+04-9.75616536E+01+9.90030235E-01+7.52486642E-02-5.50772372E-05 3
++2.03582394E-08-3.04665058E-12-4.38361216E+04+2.65683915E+01 4
+IC5KETAC C 5O 3H 10 G 300.00 5000.00 1391.00 1
++2.34683563E+01+2.20730486E-02-7.70715635E-06+1.21330946E-09-7.10816173E-14 2
+-5.13782035E+04-9.20403381E+01+1.99303977E-01+7.83179542E-02-6.05722648E-05 3
++2.41968274E-08-3.95435215E-12-4.34638912E+04+3.22981679E+01 4
+IC5KETAD C 5O 3H 10 G 300.00 5000.00 1388.00 1
++2.27018201E+01+2.27623983E-02-7.95317701E-06+1.25254826E-09-7.33995564E-14 2
+-4.88049225E+04-8.74481434E+01+5.36600103E-01+7.50896887E-02-5.59977257E-05 3
++2.17307506E-08-3.48563492E-12-4.11064564E+04+3.14936271E+01 4
+IC5KETCA C 5O 3H 10 G 300.00 5000.00 1386.00 1
++2.23936225E+01+2.30830714E-02-8.07739965E-06+1.27340111E-09-7.46743612E-14 2
+-5.25460012E+04-8.64630973E+01+5.01026913E-01+7.32093413E-02-5.22315114E-05 3
++1.91893861E-08-2.91025524E-12-4.47901692E+04+3.15622880E+01 4
+IC5KETCB C 5O 3H 10 G 300.00 5000.00 1387.00 1
++2.38381050E+01+2.19492828E-02-7.70845830E-06+1.21824528E-09-7.15652458E-14 2
+-5.56527505E+04-9.76513664E+01+2.97401995E-01+7.64035840E-02-5.58642785E-05 3
++2.06570759E-08-3.10185324E-12-4.74239290E+04+2.89698043E+01 4
+IC5KETCD C 5O 3H 10 G 300.00 5000.00 1383.00 1
++2.22445195E+01+2.32429375E-02-8.13939936E-06+1.28375132E-09-7.53028874E-14 2
+-5.25016214E+04-8.53496595E+01+2.27135608E+00+6.77725287E-02-4.64127889E-05 3
++1.65517953E-08-2.47901257E-12-4.52485605E+04+2.28504134E+01 4
+IC5KETDA C 5O 3H 10 G 300.00 5000.00 1385.00 1
++2.23748861E+01+2.30141606E-02-8.03341343E-06+1.26431338E-09-7.40516168E-14 2
+-4.87803738E+04-8.53457562E+01+2.45487380E+00+6.89562352E-02-4.94614671E-05 3
++1.87791829E-08-3.00201291E-12-4.16944571E+04+2.20317500E+01 4
+IC5KETDB C 5O 3H 10 G 300.00 5000.00 1386.00 1
++2.30963831E+01+2.24125490E-02-7.82820477E-06+1.23251010E-09-7.22086331E-14 2
+-5.19506233E+04-9.19136638E+01+2.39215811E+00+7.23979537E-02-5.56527262E-05 3
++2.27957429E-08-3.89778838E-12-4.48011749E+04+1.89118954E+01 4
+IC5KETDC C 5O 3H 10 G 300.00 5000.00 1390.00 1
++2.35511020E+01+2.20370496E-02-7.70229869E-06+1.21333612E-09-7.11148382E-14 2
+-5.11090402E+04-9.29911716E+01+4.19611403E-02+7.96221577E-02-6.28755971E-05 3
++2.57640021E-08-4.32179573E-12-4.31706563E+04+3.23917806E+01 4
+AC5H10OH H 11C 5O 1 G 300.00 5000.00 1381.00 1
++1.57053942E+01+2.55921700E-02-8.70811298E-06+1.34716260E-09-7.79628294E-14 2
+-2.25377771E+04-5.15555174E+01+3.09642922E+00+4.68661615E-02-1.83869508E-05 3
++8.20832987E-10+7.67460794E-13-1.72846429E+04+1.91578923E+01 4
+BC5H10OH H 11C 5O 1 G 300.00 5000.00 1387.00 1
++1.61657616E+01+2.54934476E-02-8.73565162E-06+1.35763483E-09-7.88148800E-14 2
+-2.48317907E+04-5.58394716E+01+2.52157061E+00+5.18237668E-02-2.65312746E-05 3
++6.10515255E-09-4.32512771E-13-1.94355870E+04+1.95767452E+01 4
+CC5H10OH H 11C 5O 1 G 300.00 5000.00 1374.00 1
++1.78146436E+01+2.31777549E-02-7.76038398E-06+1.18900766E-09-6.83934164E-14 2
+-2.24543185E+04-6.48614694E+01+2.04135308E-01+5.88299650E-02-3.24898705E-05 3
++7.50026128E-09-3.65893927E-13-1.58607468E+04+3.15479677E+01 4
+AO2C5H10OH H 11C 5O 3 G 300.00 5000.00 1398.00 1
++2.08105945E+01+2.58369830E-02-8.76925603E-06+1.35402215E-09-7.82456030E-14 2
+-4.24674273E+04-7.60944497E+01+2.38199108E+00+7.18375133E-02-5.42641346E-05 3
++2.24041452E-08-3.86885861E-12-3.62744244E+04+2.19774449E+01 4
+BO2C5H10OH H 11C 5O 3 G 300.00 5000.00 1400.00 1
++2.16076261E+01+2.51801329E-02-8.54720351E-06+1.31983972E-09-7.62748525E-14 2
+-4.48761977E+04-8.15577009E+01+1.52617651E+00+7.75488797E-02-6.26549788E-05 3
++2.73021817E-08-4.88654203E-12-3.83722486E+04+2.44808615E+01 4
+CO2C5H10OH H 11C 5O 3 G 300.00 5000.00 1397.00 1
++2.08408570E+01+2.59206320E-02-8.82353537E-06+1.36524107E-09-7.90130782E-14 2
+-4.19808071E+04-7.66306291E+01+1.89146646E+00+7.16579256E-02-5.21095309E-05 3
++2.04539389E-08-3.36389081E-12-3.54813599E+04+2.47261361E+01 4
+CH3CHCHO H 5O 1C 3 G 300.00 5000.00 1253.00 1
++8.27772090E+00+1.95687188E-02-8.47575089E-06+1.53249728E-09-9.86441542E-14 2
+-8.34456062E+03-2.17652483E+01-2.72811212E+00+3.80354483E-02-1.96782132E-05 3
++5.09554570E-09-7.28789092E-13-3.51122739E+03+4.04496677E+01 4
+IC3H5COCH3 C 5H 8O 1 G 300.00 5000.00 1389.00 1
++1.57135746E+01+1.94104717E-02-6.71160542E-06+1.04957119E-09-6.12003730E-14 2
+-2.65071075E+04-5.72269076E+01+8.09246454E-01+5.28377081E-02-3.55040712E-05 3
++1.24787059E-08-1.83544455E-12-2.11322752E+04+2.34120820E+01 4
+IC3H5COCH2 C 5H 7O 1 G 300.00 5000.00 1391.00 1
++1.70407321E+01+1.59214786E-02-5.55063598E-06+8.72891334E-10-5.10998924E-14 2
+-5.41848521E+03-6.39228376E+01+5.48800712E-01+5.64406935E-02-4.45492244E-05 3
++1.83208797E-08-3.08879949E-12+1.42569300E+02+2.39985123E+01 4
+AC3H4COCH3 C 5H 7O 1 G 300.00 5000.00 1389.00 1
++1.56880361E+01+1.74310098E-02-6.05676510E-06+9.50342951E-10-5.55458474E-14 2
+-8.66309058E+03-5.67277584E+01-3.84131406E-01+5.59167204E-02-4.21424901E-05 3
++1.67314239E-08-2.75664106E-12-3.12232942E+03+2.93464240E+01 4
+IC6H14 H 14C 6 G 300.00 5000.00 1392.00 1
++1.89218968E+01+3.07714665E-02-1.05523935E-05+1.64094307E-09-9.53043216E-14 2
+-3.13407083E+04-7.68880761E+01-1.49039355E+00+7.49783888E-02-4.66434710E-05 3
++1.49348963E-08-1.97251090E-12-2.38232544E+04+3.41061153E+01 4
+AC6H13 H 13C 6 G 300.00 5000.00 1392.00 1
++1.85074039E+01+2.86218271E-02-9.82105187E-06+1.52783880E-09-8.87609934E-14 2
+-6.27646161E+03-7.18043432E+01-7.21275521E-01+7.04218954E-02-4.41509022E-05 3
++1.42843117E-08-1.91164474E-12+7.89482151E+02+3.26985381E+01 4
+BC6H13 H 13C 6 G 300.00 5000.00 1381.00 1
++1.69842194E+01+2.99437985E-02-1.02829375E-05+1.60051599E-09-9.30152113E-14 2
+-8.09389237E+03-6.29779897E+01+2.41481893E+00+5.37101055E-02-2.00895084E-05 3
++2.38811969E-10+1.01694001E-12-1.90401203E+03+1.90832462E+01 4
+CC6H13 H 13C 6 G 300.00 5000.00 1385.00 1
++1.82241682E+01+2.84884867E-02-9.69800610E-06+1.50105127E-09-8.69082914E-14 2
+-7.58413810E+03-6.97809262E+01-3.90316852E-01+6.59532054E-02-3.61095592E-05 3
++8.79473910E-09-6.27301518E-13-5.05045378E+02+3.23470949E+01 4
+DC6H13 H 13C 6 G 300.00 5000.00 1385.00 1
++1.82241682E+01+2.84884867E-02-9.69800610E-06+1.50105127E-09-8.69082914E-14 2
+-7.58413810E+03-6.97809262E+01-3.90316852E-01+6.59532054E-02-3.61095592E-05 3
++8.79473910E-09-6.27301518E-13-5.05045378E+02+3.23470949E+01 4
+EC6H13 H 13C 6 G 300.00 5000.00 1392.00 1
++1.85074039E+01+2.86218271E-02-9.82105187E-06+1.52783880E-09-8.87609934E-14 2
+-6.27646161E+03-7.18043432E+01-7.21275521E-01+7.04218954E-02-4.41509022E-05 3
++1.42843117E-08-1.91164474E-12+7.89482151E+02+3.26985381E+01 4
+AC6H12 C 6H 12 G 300.00 5000.00 1391.00 1
++1.77919314E+01+2.68882975E-02-9.17597563E-06+1.42232776E-09-8.24250741E-14 2
+-1.59089099E+04-6.89733605E+01-5.11775170E-01+6.75515839E-02-4.35931315E-05 3
++1.47174635E-08-2.07208823E-12-9.28196280E+03+3.01733384E+01 4
+BC6H12 C 6H 12 G 300.00 5000.00 1389.00 1
++1.73194968E+01+2.73143455E-02-9.32825404E-06+1.44663699E-09-8.38619242E-14 2
+-1.72536853E+04-6.67708402E+01+6.61236759E-03+6.41016647E-02-3.85052017E-05 3
++1.17598218E-08-1.46218293E-12-1.08021940E+04+2.76294362E+01 4
+CC6H12 C 6H 12 G 300.00 5000.00 1393.00 1
++1.72953713E+01+2.74904466E-02-9.42213872E-06+1.46464229E-09-8.50427572E-14 2
+-1.65683634E+04-6.72858572E+01-1.31890347E+00+6.85974519E-02-4.39881674E-05 3
++1.47291905E-08-2.05794505E-12-9.79395525E+03+3.36472333E+01 4
+DC6H12 C 6H 12 G 300.00 5000.00 1393.00 1
++1.78016854E+01+2.70503442E-02-9.26880883E-06+1.44060726E-09-8.36409602E-14 2
+-1.53895390E+04-6.97378005E+01-1.91003140E+00+7.20913803E-02-4.89283154E-05 3
++1.75436586E-08-2.63338518E-12-8.38084939E+03+3.65870879E+01 4
+AC6H11-A2 H 11C 6 G 300.00 5000.00 1395.00 1
++1.82026718E+01+2.44812048E-02-8.35996384E-06+1.29643763E-09-7.51546950E-14 2
++2.33876532E+03-7.13491902E+01-1.47932805E+00+7.22802333E-02-5.37942381E-05 3
++2.13741487E-08-3.53072969E-12+9.04209177E+03+3.37929715E+01 4
+AC6H11-C H 11C 6 G 300.00 5000.00 1391.00 1
++1.73925747E+01+2.51953840E-02-8.61283764E-06+1.33664647E-09-7.75275756E-14 2
++1.18586639E+03-6.80542016E+01-8.34480314E-01+6.59130188E-02-4.31921071E-05 3
++1.46901865E-08-2.06602701E-12+7.74317615E+03+3.05654616E+01 4
+AC6H11-D H 11C 6 G 300.00 5000.00 1382.00 1
++1.71796835E+01+2.44946059E-02-8.27862597E-06+1.27550777E-09-7.36249381E-14 2
++7.79910800E+03-6.23751670E+01+6.93336063E-01+5.79431818E-02-3.20806649E-05 3
++7.93413671E-09-5.82122675E-13+1.40234096E+04+2.79516628E+01 4
+AC6H11-E H 11C 6 G 300.00 5000.00 1391.00 1
++1.73660563E+01+2.47543194E-02-8.45119156E-06+1.31035396E-09-7.59514758E-14 2
++9.16086456E+03-6.38235508E+01+2.49943006E-01+6.30361731E-02-4.11725030E-05 3
++1.41157447E-08-2.02238094E-12+1.53316983E+04+2.87984616E+01 4
+BC6H11-E H 11C 6 G 300.00 5000.00 1389.00 1
++1.68955004E+01+2.51788753E-02-8.60298588E-06+1.33459142E-09-7.73843192E-14 2
++7.81519433E+03-6.16322155E+01+7.63030919E-01+5.96101310E-02-3.61175604E-05 3
++1.11772823E-08-1.41652007E-12+1.38122414E+04+2.62789403E+01 4
+CC6H11-A H 11C 6 G 300.00 5000.00 1393.00 1
++1.68710453E+01+2.53547639E-02-8.69680328E-06+1.35259585E-09-7.85657713E-14 2
++8.49347715E+03-6.21614459E+01-6.89878647E-01+6.45561830E-02-4.21978643E-05 3
++1.44919783E-08-2.08520825E-12+1.48430791E+04+3.29119720E+01 4
+CC6H11-B H 11C 6 G 300.00 5000.00 1381.00 1
++1.53461030E+01+2.66654957E-02-9.15202584E-06+1.42394531E-09-8.27311194E-14 2
++6.58175430E+03-5.26161906E+01+2.54157024E+00+4.74614479E-02-1.75984466E-05 3
++1.18844602E-10+9.15595617E-13+1.20333815E+04+1.95409169E+01 4
+DC6H11-A H 11C 6 G 300.00 5000.00 1393.00 1
++1.73789104E+01+2.49141494E-02-8.54341211E-06+1.32855830E-09-7.71639569E-14 2
++9.67894432E+03-6.46052754E+01-1.12223791E+00+6.74746771E-02-4.63673789E-05 3
++1.68609510E-08-2.56700270E-12+1.62284521E+04+3.50882911E+01 4
+DC6H11-B H 11C 6 G 300.00 5000.00 1383.00 1
++1.58183507E+01+2.62602278E-02-9.01167647E-06+1.40200988E-09-8.14536996E-14 2
++7.78480177E+03-5.48493603E+01+2.17247229E+00+5.00897603E-02-2.13555213E-05 3
++2.23928273E-09+4.88373356E-13+1.34096122E+04+2.14270725E+01 4
+DC6H11-C H 11C 6 G 300.00 5000.00 1393.00 1
++1.74048492E+01+2.53567462E-02-8.70574279E-06+1.35496821E-09-7.87471431E-14 2
++1.70459201E+03-6.88324069E+01-2.22322509E+00+7.04264966E-02-4.84953119E-05 3
++1.74996623E-08-2.62417843E-12+8.64237252E+03+3.69315857E+01 4
+AC6H11O-C H 11C 6O 1 G 300.00 5000.00 1392.00 1
++2.17573736E+01+2.26921265E-02-7.57004024E-06+1.15702912E-09-6.64430705E-14 2
+-1.05744435E+04-8.69130537E+01-1.82035418E+00+8.07063934E-02-6.22831139E-05 3
++2.46330602E-08-3.92390793E-12-2.77247206E+03+3.85201862E+01 4
+CC6H11O-B H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.11955687E+01+2.29701980E-02-7.62227789E-06+1.16065576E-09-6.64715930E-14 2
+-1.29306307E+04-8.49746291E+01-1.17967324E+00+7.81909883E-02-5.99795020E-05 3
++2.37932961E-08-3.81853229E-12-5.53273660E+03+3.40198543E+01 4
+DC6H11O-C H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.13806432E+01+2.30378839E-02-7.69358197E-06+1.17665055E-09-6.75959737E-14 2
+-9.83646408E+03-8.52880631E+01-2.76652098E+00+8.36848075E-02-6.65178286E-05 3
++2.72840686E-08-4.51819629E-12-1.94611129E+03+4.27763392E+01 4
+AC6H13O2 H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.22886148E+01+3.03910052E-02-1.05002476E-05+1.64107136E-09-9.56472508E-14 2
+-2.54266277E+04-8.69083127E+01+8.34467457E-01+7.86137067E-02-5.27315598E-05 3
++1.89843054E-08-2.92332318E-12-1.76362853E+04+2.92377865E+01 4
+BC6H13O2 H 13C 6O 2 G 300.00 5000.00 1389.00 1
++2.30458742E+01+2.97706645E-02-1.02910769E-05+1.60890361E-09-9.37931246E-14 2
+-2.86118730E+04-9.36845710E+01+3.72940700E-01+8.39343109E-02-6.17679663E-05 3
++2.47759515E-08-4.21198306E-12-2.06857939E+04+2.79465910E+01 4
+CC6H13O2 H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.30489841E+01+2.97247024E-02-1.02659461E-05+1.60404020E-09-9.34727049E-14 2
+-2.79933031E+04-9.21493647E+01-2.03646110E-01+8.52144048E-02-6.26174151E-05 3
++2.48590257E-08-4.16108078E-12-1.98941133E+04+3.25528387E+01 4
+DC6H13O2 H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.30489841E+01+2.97247024E-02-1.02659461E-05+1.60404020E-09-9.34727049E-14 2
+-2.79933031E+04-9.21493647E+01-2.03646110E-01+8.52144048E-02-6.26174151E-05 3
++2.48590257E-08-4.16108078E-12-1.98941133E+04+3.25528387E+01 4
+EC6H13O2 H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.22886148E+01+3.03910052E-02-1.05002476E-05+1.64107136E-09-9.56472508E-14 2
+-2.54266277E+04-8.75977943E+01+8.34467457E-01+7.86137067E-02-5.27315598E-05 3
++1.89843054E-08-2.92332318E-12-1.76362853E+04+2.92377865E+01 4
+AC6H13O2H H 14C 6O 2 G 300.00 5000.00 1389.00 1
++2.47461206E+01+3.05690659E-02-1.05953546E-05+1.65960757E-09-9.68816760E-14 2
+-4.33414991E+04-1.01183435E+02-1.20894077E-01+8.74189534E-02-6.08632828E-05 3
++2.22596283E-08-3.40642319E-12-3.44864717E+04+3.29679757E+01 4
+BC6H13O2H H 14C 6O 2 G 300.00 5000.00 1390.00 1
++2.54796383E+01+2.99619917E-02-1.03892563E-05+1.62776466E-09-9.50402644E-14 2
+-4.65182816E+04-1.07822133E+02-3.84745299E-01+9.17687045E-02-6.84094717E-05 3
++2.71147158E-08-4.48681570E-12-3.75631793E+04+3.07815919E+01 4
+CC6H13O2H H 14C 6O 2 G 300.00 5000.00 1391.00 1
++2.55587244E+01+2.98820202E-02-1.03593281E-05+1.62288897E-09-9.47493818E-14 2
+-4.59453915E+04-1.06761756E+02-1.14502692E+00+9.38036145E-02-7.02030825E-05 3
++2.77175376E-08-4.54282388E-12-3.67429144E+04+3.62469945E+01 4
+DC6H13O2H H 14C 6O 2 G 300.00 5000.00 1391.00 1
++2.55587244E+01+2.98820202E-02-1.03593281E-05+1.62288897E-09-9.47493818E-14 2
+-4.59453915E+04-1.06761756E+02-1.14502692E+00+9.38036145E-02-7.02030825E-05 3
++2.77175376E-08-4.54282388E-12-3.67429144E+04+3.62469945E+01 4
+EC6H13O2H H 14C 6O 2 G 300.00 5000.00 1389.00 1
++2.47461206E+01+3.05690659E-02-1.05953546E-05+1.65960757E-09-9.68816760E-14 2
+-4.33414991E+04-1.01872917E+02-1.20894077E-01+8.74189534E-02-6.08632828E-05 3
++2.22596283E-08-3.40642319E-12-3.44864717E+04+3.22784940E+01 4
+AC6H13O H 13C 6O 1 G 300.00 5000.00 1393.00 1
++2.07407512E+01+2.90441793E-02-9.91898396E-06+1.53837787E-09-8.91896638E-14 2
+-2.36717876E+04-8.14921659E+01-1.10169867E+00+7.88004918E-02-5.32440995E-05 3
++1.87702513E-08-2.73867617E-12-1.59250624E+04+3.63224467E+01 4
+BC6H13O H 13C 6O 1 G 300.00 5000.00 1394.00 1
++2.13738380E+01+2.86079827E-02-9.78961483E-06+1.52027435E-09-8.82167790E-14 2
+-2.72183307E+04-8.71171285E+01-1.14499967E+00+8.22520492E-02-5.96240912E-05 3
++2.30259070E-08-3.71004273E-12-1.94393923E+04+3.35584767E+01 4
+CC6H13O H 13C 6O 1 G 300.00 5000.00 1395.00 1
++2.11457388E+01+2.89417927E-02-9.93473533E-06+1.54596808E-09-8.98334011E-14 2
+-2.59818828E+04-8.47582294E+01-1.36089174E+00+8.20470838E-02-5.87205947E-05 3
++2.23560537E-08-3.55684509E-12-1.81496958E+04+3.60430927E+01 4
+DC6H13O H 13C 6O 1 G 300.00 5000.00 1395.00 1
++2.11457388E+01+2.89417927E-02-9.93473533E-06+1.54596808E-09-8.98334011E-14 2
+-2.59818828E+04-8.47582294E+01-1.36089174E+00+8.20470838E-02-5.87205947E-05 3
++2.23560537E-08-3.55684509E-12-1.81496958E+04+3.60430927E+01 4
+EC6H13O H 13C 6O 1 G 300.00 5000.00 1393.00 1
++2.07407512E+01+2.90441793E-02-9.91898396E-06+1.53837787E-09-8.91896638E-14 2
+-2.36717876E+04-8.21816475E+01-1.10169867E+00+7.88004918E-02-5.32440995E-05 3
++1.87702513E-08-2.73867617E-12-1.59250624E+04+3.56329651E+01 4
+AC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.35509613E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.13292298E+01 4
+AC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.22730342E+01+3.03870349E-02-1.04955591E-05+1.64003275E-09-9.55755922E-14 2
+-1.98338759E+04-8.34529412E+01+3.80080251E+00+6.62643795E-02-3.49049743E-05 3
++8.19777702E-09-5.89157399E-13-1.25731075E+04+1.85330105E+01 4
+AC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.34337612E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.28879726E+01 4
+AC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.34337612E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.28879726E+01 4
+AC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.35509613E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.13292298E+01 4
+BC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.50724822E+01+2.77997156E-02-9.65221757E-06+1.51363792E-09-8.84322022E-14 2
+-2.14566893E+04-1.02780100E+02+3.29972045E-01+8.74415478E-02-6.62416953E-05 3
++2.66536336E-08-4.46547796E-12-1.29419028E+04+2.96284309E+01 4
+BC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.46364512E+01+2.78516374E-02-9.60212776E-06+1.49893237E-09-8.73034439E-14 2
+-2.26854295E+04-9.94482796E+01+7.28467840E-01+8.27351038E-02-5.79477332E-05 3
++2.10402680E-08-3.15464371E-12-1.42479989E+04+2.93605378E+01 4
+BC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.46364512E+01+2.78516374E-02-9.60212776E-06+1.49893237E-09-8.73034439E-14 2
+-2.26854295E+04-9.94482796E+01+7.28467840E-01+8.27351038E-02-5.79477332E-05 3
++2.10402680E-08-3.15464371E-12-1.42479989E+04+2.93605378E+01 4
+BC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1390.00 1
++2.50724822E+01+2.77997156E-02-9.65221757E-06+1.51363792E-09-8.84322022E-14 2
+-2.14566893E+04-1.02780100E+02+3.29972045E-01+8.74415478E-02-6.62416953E-05 3
++2.66536336E-08-4.46547796E-12-1.29419028E+04+2.96284309E+01 4
+CC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.87876973E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.48606816E+01 4
+CC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.32505924E+01+2.95413171E-02-1.02009262E-05+1.59378181E-09-9.28733184E-14 2
+-2.24879988E+04-9.06410149E+01+3.03536899E+00+7.17597670E-02-4.27623252E-05 3
++1.26172983E-08-1.47486871E-12-1.48783197E+04+1.98514760E+01 4
+CC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.42094345E+01+2.81648927E-02-9.60770930E-06+1.48931625E-09-8.63248580E-14 2
+-2.18243231E+04-9.57217843E+01+1.41333660E-01+8.42381612E-02-5.95986819E-05 3
++2.18273225E-08-3.27602121E-12-1.34573123E+04+3.35824990E+01 4
+CC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.91953470E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.44530319E+01 4
+DC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.87876973E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.48606816E+01 4
+DC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.32505924E+01+2.95413171E-02-1.02009262E-05+1.59378181E-09-9.28733184E-14 2
+-2.24879988E+04-9.06410149E+01+3.03536899E+00+7.17597670E-02-4.27623252E-05 3
++1.26172983E-08-1.47486871E-12-1.48783197E+04+1.98514760E+01 4
+DC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.42094345E+01+2.81648927E-02-9.60770930E-06+1.48931625E-09-8.63248580E-14 2
+-2.18243231E+04-9.57217843E+01+1.41333660E-01+8.42381612E-02-5.95986819E-05 3
++2.18273225E-08-3.27602121E-12-1.34573123E+04+3.35824990E+01 4
+DC6H12OOH-E H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.46479832E+01+2.83523340E-02-9.79054893E-06+1.52971933E-09-8.91435695E-14 2
+-2.06402263E+04-9.91953470E+01-3.87242989E-01+8.94769453E-02-6.84012317E-05 3
++2.77272752E-08-4.65547761E-12-1.21321341E+04+3.44530319E+01 4
+EC6H12OOH-A H 13C 6O 2 G 300.00 5000.00 1391.00 1
++2.38246434E+01+2.90450598E-02-1.00277448E-05+1.56653591E-09-9.12780750E-14 2
+-1.80301296E+04-9.38327932E+01+6.02574675E-01+8.32673333E-02-5.93683753E-05 3
++2.24782247E-08-3.56775309E-12-9.87091858E+03+3.10473979E+01 4
+EC6H12OOH-B H 13C 6O 2 G 300.00 5000.00 1383.00 1
++2.22730342E+01+3.03870349E-02-1.04955591E-05+1.64003275E-09-9.55755922E-14 2
+-1.98338759E+04-8.59340686E+01+3.80080251E+00+6.62643795E-02-3.49049743E-05 3
++8.19777702E-09-5.89157399E-13-1.25731075E+04+1.60518831E+01 4
+EC6H12OOH-C H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.52203742E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.11013596E+01 4
+EC6H12OOH-D H 13C 6O 2 G 300.00 5000.00 1385.00 1
++2.39678901E+01+2.81214950E-02-9.54524062E-06+1.47519132E-09-8.53429355E-14 2
+-1.94647480E+04-9.52203742E+01+6.19077976E-01+7.99214719E-02-5.23921499E-05 3
++1.71660536E-08-2.22974269E-12-1.11125632E+04+3.11013596E+01 4
+A-AC6H12O C 6H 12O 1 G 300.00 5000.00 1377.00 1
++1.99156255E+01+2.80570645E-02-9.60026024E-06+1.49237353E-09-8.67075947E-14 2
+-2.84357664E+04-8.31912688E+01-3.74279744E+00+7.97317022E-02-5.20568139E-05 3
++1.72011490E-08-2.31454215E-12-1.98116601E+04+4.52301269E+01 4
+A-BC6H12O C 6H 12O 1 G 300.00 5000.00 1389.00 1
++2.01913400E+01+2.79678511E-02-9.67421525E-06+1.51319597E-09-8.82456559E-14 2
+-3.10796342E+04-8.36582432E+01-3.10440628E+00+8.56519536E-02-6.67488731E-05 3
++2.81794043E-08-4.97055901E-12-2.31502350E+04+4.05751920E+01 4
+A-CC6H12O C 6H 12O 1 G 300.00 5000.00 1380.00 1
++2.05031109E+01+2.75383043E-02-9.41667271E-06+1.46321280E-09-8.49886231E-14 2
+-3.07733281E+04-8.60159913E+01-4.39045510E+00+8.46657004E-02-5.98461680E-05 3
++2.19749206E-08-3.34162903E-12-2.19772879E+04+4.81276344E+01 4
+A-DC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++1.83058303E+01+3.04972378E-02-1.05653766E-05+1.65434326E-09-9.65500891E-14 2
+-4.03848361E+04-7.42771902E+01-5.61084240E+00+8.62262193E-02-6.17311453E-05 3
++2.38078703E-08-3.89555631E-12-3.19060340E+04+5.44880467E+01 4
+A-EC6H12O C 6H 12O 1 G 300.00 5000.00 1367.00 1
++2.15175540E+01+2.91706121E-02-1.03353528E-05+1.64305835E-09-9.69180513E-14 2
+-4.32129219E+04-9.97465294E+01-5.11288591E+00+8.04260623E-02-4.35839293E-05 3
++9.20918058E-09-2.77875684E-13-3.28206788E+04+4.72500548E+01 4
+B-CC6H12O C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.07412761E+01+2.75290409E-02-9.52862858E-06+1.49103485E-09-8.69768921E-14 2
+-3.34094702E+04-8.76595310E+01-3.51600990E+00+8.95013099E-02-7.28932029E-05 3
++3.19466518E-08-5.77980629E-12-2.53506807E+04+4.10125601E+01 4
+B-DC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++2.03130107E+01+2.84953369E-02-9.90356879E-06+1.55407483E-09-9.08358605E-14 2
+-3.40296335E+04-8.70860300E+01-4.25089771E+00+8.77021914E-02-6.65264184E-05 3
++2.71034081E-08-4.63016987E-12-2.55266109E+04+4.44518241E+01 4
+B-EC6H12O C 6H 12O 1 G 300.00 5000.00 1382.00 1
++1.91074475E+01+2.92530040E-02-1.00249828E-05+1.55944067E-09-9.06288079E-14 2
+-4.18461500E+04-8.05464349E+01-5.34010311E+00+8.58554974E-02-6.11209923E-05 3
++2.31121032E-08-3.67533288E-12-3.31973464E+04+5.11171430E+01 4
+C-DC6H12O C 6H 12O 1 G 300.00 5000.00 1393.00 1
++2.06312589E+01+2.75569457E-02-9.52376040E-06+1.48876677E-09-8.67838672E-14 2
+-3.21756961E+04-8.58717818E+01-3.97238580E+00+9.03638157E-02-7.34283609E-05 3
++3.19635755E-08-5.73228171E-12-2.40253266E+04+4.46071744E+01 4
+C-EC6H12O C 6H 12O 1 G 300.00 5000.00 1380.00 1
++2.05031109E+01+2.75383043E-02-9.41667271E-06+1.46321280E-09-8.49886231E-14 2
+-3.07733281E+04-8.67054730E+01-4.39045510E+00+8.46657004E-02-5.98461680E-05 3
++2.19749206E-08-3.34162903E-12-2.19772879E+04+4.74381528E+01 4
+D-EC6H12O C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.00142775E+01+2.81386921E-02-9.73735947E-06+1.52346612E-09-8.88596091E-14 2
+-2.98338928E+04-8.22104850E+01-3.32594188E+00+8.54921440E-02-6.58481787E-05 3
++2.73996370E-08-4.76702147E-12-2.18606446E+04+4.23900139E+01 4
+AC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.13044805E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.81070553E+01 4
+AC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+AC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+AC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+AC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.12355324E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.87965370E+01 4
+BC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+BC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+BC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+BC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+CC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+CC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+CC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1391.00 1
++2.95169325E+01+2.88320897E-02-1.00396340E-05+1.57746976E-09-9.22879651E-14 2
+-4.24876393E+04-1.20938130E+02+6.88588952E-01+1.01595955E-01-8.28629861E-05 3
++3.56740290E-08-6.30243653E-12-3.28938019E+04+3.21757015E+01 4
+CC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+DC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16276835E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.11091141E+01 4
+DC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.97040749E+01+2.87284901E-02-1.00160771E-05+1.57505477E-09-9.21981850E-14 2
+-4.31557205E+04-1.23511933E+02+1.45368471E+00+1.00222536E-01-8.21049759E-05 3
++3.56979862E-08-6.38300014E-12-3.37369280E+04+2.65264078E+01 4
+DC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1391.00 1
++2.95169325E+01+2.88320897E-02-1.00396340E-05+1.57746976E-09-9.22879651E-14 2
+-4.24876393E+04-1.20938130E+02+6.88588952E-01+1.01595955E-01-8.28629861E-05 3
++3.56740290E-08-6.30243653E-12-3.28938019E+04+3.21757015E+01 4
+DC6H12OOH-EO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+EC6H12OOH-AO2 H 13C 6O 4 G 300.00 5000.00 1386.00 1
++2.81944355E+01+3.00615854E-02-1.04875563E-05+1.64988933E-09-9.66066390E-14 2
+-3.74608344E+04-1.12355324E+02+1.90994260E+00+9.22595921E-02-6.86012221E-05 3
++2.72407584E-08-4.54669754E-12-2.82525874E+04+2.87965370E+01 4
+EC6H12OOH-BO2 H 13C 6O 4 G 300.00 5000.00 1387.00 1
++2.89271559E+01+2.94309577E-02-1.02680195E-05+1.61539932E-09-9.45889937E-14 2
+-4.06309771E+04-1.18977482E+02+1.81157149E+00+9.58505858E-02-7.49852502E-05 3
++3.13487412E-08-5.45668191E-12-3.13537803E+04+2.58431145E+01 4
+EC6H12OOH-CO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+EC6H12OOH-DO2 H 13C 6O 4 G 300.00 5000.00 1389.00 1
++2.88506302E+01+2.94513891E-02-1.02651937E-05+1.61392971E-09-9.44618214E-14 2
+-3.99725235E+04-1.16966317E+02+1.23904003E+00+9.71891847E-02-7.61295268E-05 3
++3.17070462E-08-5.48001953E-12-3.05638132E+04+3.04196325E+01 4
+IC6KETAA C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.58488852E+01+2.72976729E-02-9.51569614E-06+1.49629215E-09-8.75872376E-14 2
+-5.29010482E+04-1.02930598E+02+3.74926599E-01+8.69654251E-02-6.37599754E-05 3
++2.43624904E-08-3.85595659E-12-4.40036669E+04+3.39373300E+01 4
+IC6KETAB C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.72366376E+01+2.61665828E-02-9.13760798E-06+1.43865838E-09-8.42913377E-14 2
+-5.59713777E+04-1.13067358E+02+8.36104238E-01+8.71222904E-02-6.28537855E-05 3
++2.29996863E-08-3.41861134E-12-4.67354404E+04+2.89691344E+01 4
+IC6KETAC C 6H 12O 3 G 300.00 5000.00 1391.00 1
++2.66965176E+01+2.65460731E-02-9.24984760E-06+1.45414398E-09-8.51078553E-14 2
+-5.55104211E+04-1.07999392E+02+5.92746792E-03+9.03522036E-02-6.84252707E-05 3
++2.68135408E-08-4.31053677E-12-4.63578700E+04+3.48793797E+01 4
+IC6KETAD C 6H 12O 3 G 300.00 5000.00 1391.00 1
++2.66965176E+01+2.65460731E-02-9.24984760E-06+1.45414398E-09-8.51078553E-14 2
+-5.55104211E+04-1.07999392E+02+5.92746792E-03+9.03522036E-02-6.84252707E-05 3
++2.68135408E-08-4.31053677E-12-4.63578700E+04+3.48793797E+01 4
+IC6KETAE C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.58488852E+01+2.72976729E-02-9.51569614E-06+1.49629215E-09-8.75872376E-14 2
+-5.29010482E+04-1.02930598E+02+3.74926599E-01+8.69654251E-02-6.37599754E-05 3
++2.43624904E-08-3.85595659E-12-4.40036669E+04+3.39373300E+01 4
+IC6KETCA C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.54158893E+01+2.77142961E-02-9.66983106E-06+1.52140430E-09-8.90909745E-14 2
+-5.66695529E+04-1.00871975E+02+6.41569938E-01+8.61306622E-02-6.38040371E-05 3
++2.50715980E-08-4.12731276E-12-4.79925946E+04+3.22052414E+01 4
+IC6KETCB C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.68298718E+01+2.65743988E-02-9.29166512E-06+1.46406502E-09-8.58245747E-14 2
+-5.97543488E+04-1.11856808E+02+8.68698184E-01+8.73553612E-02-6.44754197E-05 3
++2.46810718E-08-3.90390558E-12-5.06899308E+04+2.76296921E+01 4
+IC6KETCD C 6H 12O 3 G 300.00 5000.00 1391.00 1
++2.66792669E+01+2.66782564E-02-9.32197006E-06+1.46820523E-09-8.60413011E-14 2
+-5.90485216E+04-1.09051959E+02-2.05481820E+00+9.79306262E-02-7.86642775E-05 3
++3.28512253E-08-5.60814214E-12-4.94233986E+04+4.39048904E+01 4
+IC6KETCE C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.54158893E+01+2.77142961E-02-9.66983106E-06+1.52140430E-09-8.90909745E-14 2
+-5.66695529E+04-1.01561456E+02+6.41569938E-01+8.61306622E-02-6.38040371E-05 3
++2.50715980E-08-4.12731276E-12-4.79925946E+04+3.15157597E+01 4
+IC6KETDA C 6H 12O 3 G 300.00 5000.00 1384.00 1
++2.52497489E+01+2.78620064E-02-9.72231486E-06+1.52976157E-09-8.95844320E-14 2
+-5.66360467E+04-1.00065747E+02+1.83514649E+00+8.09402473E-02-5.64766392E-05 3
++2.07650813E-08-3.21928803E-12-4.82146787E+04+2.64766089E+01 4
+IC6KETDB C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.59777118E+01+2.72538189E-02-9.51458711E-06+1.49753812E-09-8.77158651E-14 2
+-5.98077739E+04-1.06664115E+02+1.72626321E+00+8.46094492E-02-6.30145215E-05 3
++2.49960736E-08-4.16196817E-12-5.13150818E+04+2.35706116E+01 4
+IC6KETDC C 6H 12O 3 G 300.00 5000.00 1389.00 1
++2.64303679E+01+2.68827253E-02-9.39079843E-06+1.47875769E-09-8.66475606E-14 2
+-5.89666170E+04-1.07732369E+02-6.11745199E-01+9.17681500E-02-7.01346114E-05 3
++2.79014354E-08-4.57253918E-12-4.96860759E+04+3.69965420E+01 4
+IC6KETDE C 6H 12O 3 G 300.00 5000.00 1382.00 1
++2.50888983E+01+2.80399855E-02-9.79237470E-06+1.54155954E-09-9.03049561E-14 2
+-5.65924448E+04-9.88965665E+01+3.60912667E+00+7.54178344E-02-5.04991822E-05 3
++1.80269691E-08-2.76659120E-12-4.86715677E+04+1.77632445E+01 4
+IC6KETEA C 6H 12O 3 G 300.00 5000.00 1386.00 1
++2.55358096E+01+2.75241221E-02-9.58418843E-06+1.50590925E-09-8.81014540E-14 2
+-5.28763681E+04-1.00895794E+02+2.25107769E+00+8.10680080E-02-5.75889388E-05 3
++2.16285728E-08-3.41756700E-12-4.45867819E+04+2.46594756E+01 4
+IC6KETEB C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.62491576E+01+2.69378350E-02-9.38607764E-06+1.47539873E-09-8.63410992E-14 2
+-5.60444852E+04-1.07419672E+02+2.21224686E+00+8.44098088E-02-6.36457574E-05 3
++2.55733536E-08-4.29978327E-12-4.76972323E+04+2.14279571E+01 4
+IC6KETEC C 6H 12O 3 G 300.00 5000.00 1388.00 1
++2.61179757E+01+2.70167901E-02-9.40601228E-06+1.47774111E-09-8.64460947E-14 2
+-5.53643135E+04-1.05093935E+02+1.70707679E+00+8.54544631E-02-6.44512331E-05 3
++2.57780324E-08-4.29869192E-12-4.69169854E+04+2.56945670E+01 4
+IC6KETED C 6H 12O 3 G 300.00 5000.00 1370.00 1
++2.79333426E+01+2.62176323E-02-9.30277179E-06+1.48022634E-09-8.73635870E-14 2
+-5.55650583E+04-1.05709367E+02+3.94509667E+00+7.37223322E-02-4.23503736E-05 3
++1.06297496E-08-8.23353428E-13-4.63037398E+04+2.62853661E+01 4
+AC6H12OH H 13C 6O 1 G 300.00 5000.00 1383.00 1
++1.88589384E+01+3.01082092E-02-1.02608505E-05+1.58904396E-09-9.20282400E-14 2
+-2.66653056E+04-6.77508959E+01+2.90619357E+00+5.89197529E-02-2.64402860E-05 3
++3.63000767E-09+3.59958386E-13-2.02142331E+04+2.10332654E+01 4
+BC6H12OH H 13C 6O 1 G 300.00 5000.00 1389.00 1
++1.93625920E+01+2.99247433E-02-1.02489923E-05+1.59234329E-09-9.24223276E-14 2
+-2.89758960E+04-7.15907320E+01+2.27503088E+00+6.39194996E-02-3.43984268E-05 3
++8.66314272E-09-7.60664050E-13-2.23514492E+04+2.24436204E+01 4
+CC6H12OH H 13C 6O 1 G 300.00 5000.00 1393.00 1
++2.04108976E+01+2.86937403E-02-9.75365407E-06+1.50802716E-09-8.72411786E-14 2
+-2.83976970E+04-7.73133764E+01-3.71027465E-01+7.53088781E-02-4.93062368E-05 3
++1.66519291E-08-2.30160402E-12-2.09707208E+04+3.50110181E+01 4
+DC6H12OH H 13C 6O 1 G 300.00 5000.00 1378.00 1
++2.10478314E+01+2.73105222E-02-9.11622264E-06+1.39380538E-09-8.00544087E-14 2
+-2.65542518E+04-8.06613243E+01-9.37258243E-02+7.14648932E-02-4.16282189E-05 3
++1.09210643E-08-8.83235060E-13-1.87756580E+04+3.45957422E+01 4
+AO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1397.00 1
++2.39788719E+01+3.03327501E-02-1.03135333E-05+1.59444929E-09-9.22215219E-14 2
+-4.66011925E+04-9.16845072E+01+2.19803044E+00+8.38531467E-02-6.22378700E-05 3
++2.51513379E-08-4.26067518E-12-3.92047865E+04+2.45148429E+01 4
+BO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1399.00 1
++2.48156212E+01+2.96595983E-02-1.00897658E-05+1.56041039E-09-9.02759019E-14 2
+-4.90334490E+04-9.73944599E+01+1.35986533E+00+8.94425806E-02-7.03258016E-05 3
++2.98163915E-08-5.22129184E-12-4.13046962E+04+2.69425363E+01 4
+CO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1398.00 1
++2.48617108E+01+2.97714966E-02-1.01628873E-05+1.57550811E-09-9.13068629E-14 2
+-4.85661398E+04-9.73633260E+01+9.24402007E-01+8.89602470E-02-6.76215954E-05 3
++2.75082292E-08-4.63770474E-12-4.05187776E+04+3.01358348E+01 4
+DO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1396.00 1
++2.40099482E+01+3.04148777E-02-1.03671145E-05+1.60554200E-09-9.29809750E-14 2
+-4.61148094E+04-9.22250965E+01+1.70637540E+00+8.36781427E-02-6.00890572E-05 3
++2.32038462E-08-3.75613606E-12-3.84115428E+04+2.72688424E+01 4
+NC4H9CHO-2 C 5O 1H 10 G 300.00 5000.00 1391.00 1
++1.69244029E+01+2.27967487E-02-7.82457147E-06+1.21768953E-09-7.07667159E-14 2
+-3.67938100E+04-6.26596828E+01-4.69476821E-01+6.10365582E-02-3.93185264E-05 3
++1.27871427E-08-1.67312587E-12-3.04986281E+04+3.16306095E+01 4
+NC4H9CO-2 C 5H 9O 1 G 300.00 5000.00 1391.00 1
++1.65046133E+01+2.06717230E-02-7.10606869E-06+1.10703434E-09-6.43837568E-14 2
+-1.78307059E+04-5.87348799E+01+3.09679439E-01+5.62169200E-02-3.62405588E-05 3
++1.17086749E-08-1.50946127E-12-1.19711457E+04+2.90643292E+01 4
+C4H8CHO1-2 C 5H 9O 1 G 300.00 5000.00 1391.00 1
++1.64744483E+01+2.07138328E-02-7.12390788E-06+1.11013747E-09-6.45764979E-14 2
+-1.17192213E+04-5.73839435E+01+3.46935480E-01+5.62869708E-02-3.65790464E-05 3
++1.20191548E-08-1.59330793E-12-5.89336830E+03+3.00011649E+01 4
+C4H8CHO2-2 C 5H 9O 1 G 300.00 5000.00 1386.00 1
++1.66751077E+01+2.06549942E-02-7.12754811E-06+1.11313803E-09-6.48477026E-14 2
+-1.73708434E+04-6.08628338E+01+1.91588404E+00+5.23527744E-02-3.27262947E-05 3
++1.04277236E-08-1.36532577E-12-1.19042543E+04+1.94954948E+01 4
+C4H8CHO3-2 C 5H 9O 1 G 300.00 5000.00 2025.00 1
++1.46259201E+01+2.24057328E-02-7.81917608E-06+1.23707904E-09-7.28997923E-14 2
+-1.20218226E+04-4.59134789E+01+2.34261141E-01+5.39556025E-02-3.19259649E-05 3
++8.72507892E-09-8.35474916E-13-7.12477902E+03+3.16723623E+01 4
+C4H8CHO4-2 C 5H 9O 1 G 300.00 5000.00 1391.00 1
++1.64744483E+01+2.07138328E-02-7.12390788E-06+1.11013747E-09-6.45764979E-14 2
+-1.17192213E+04-5.73839435E+01+3.46935480E-01+5.62869708E-02-3.65790464E-05 3
++1.20191548E-08-1.59330793E-12-5.89336830E+03+3.00011649E+01 4
+IC4H9CHO C 5O 1H 10 G 300.00 5000.00 1383.00 1
++1.70194059E+01+2.23541546E-02-7.59760895E-06+1.17496754E-09-6.79975164E-14 2
+-3.69143302E+04-6.35871575E+01+8.61033163E-01+5.73441683E-02-3.59178644E-05 3
++1.13951893E-08-1.46205706E-12-3.09951354E+04+2.42264151E+01 4
+IC4H9CO C 5H 9O 1 G 300.00 5000.00 1381.00 1
++1.66912451E+01+2.00750158E-02-6.81146431E-06+1.05242707E-09-6.08743184E-14 2
+-1.79850312E+04-6.01715526E+01+1.62335066E+00+5.25605407E-02-3.28103015E-05 3
++1.02340893E-08-1.26866743E-12-1.24643454E+04+2.17446946E+01 4
+IC3H6CH2CHO C 5H 9O 1 G 300.00 5000.00 1379.00 1
++1.68308524E+01+1.98251371E-02-6.70063133E-06+1.03289145E-09-5.96563130E-14 2
+-1.19347938E+04-5.97602900E+01+1.62226272E+00+5.27363584E-02-3.31656280E-05 3
++1.04384787E-08-1.30786935E-12-6.37949935E+03+2.28700619E+01 4
+TC3H6CH2CHO C 5H 9O 1 G 300.00 5000.00 2007.00 1
++1.28694305E+01+2.43877237E-02-8.60077074E-06+1.36840737E-09-8.08920178E-14 2
+-1.24988438E+04-3.65810598E+01+4.51456221E+00+3.77870194E-02-1.29518975E-05 3
+-4.00055644E-10+7.37921847E-13-9.15122261E+03+1.02678013E+01 4
+IC3H7CHCHO C 5H 9O 1 G 300.00 5000.00 1390.00 1
++1.68247016E+01+2.04825673E-02-7.05877343E-06+1.10149429E-09-6.41348599E-14 2
+-1.66830714E+04-6.30167084E+01+3.71329670E-01+5.76362731E-02-3.90796092E-05 3
++1.37027563E-08-1.98345884E-12-1.08082975E+04+2.58578771E+01 4
+IC5H11CHO C 6H 12O 1 G 300.00 5000.00 1384.00 1
++2.02213198E+01+2.67705370E-02-9.10366728E-06+1.40833319E-09-8.15189632E-14 2
+-4.10189998E+04-7.93504931E+01+5.96448184E-01+6.97017613E-02-4.43706862E-05 3
++1.43995034E-08-1.90197727E-12-3.38776822E+04+2.71403402E+01 4
+IC5H11CO H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.98188304E+01+2.46169767E-02-8.37269097E-06+1.29548967E-09-7.49998110E-14 2
+-2.20623274E+04-7.55220873E+01+1.36681067E+00+6.49150520E-02-4.13267863E-05 3
++1.33304172E-08-1.73828245E-12-1.53487591E+04+2.46157767E+01 4
+AC5H10CHO H 11C 6O 1 G 300.00 5000.00 1383.00 1
++1.98177288E+01+2.46043987E-02-8.36554702E-06+1.29409596E-09-7.49077891E-14 2
+-1.59597587E+04-7.43290192E+01+1.37522507E+00+6.50985286E-02-4.18036011E-05 3
++1.36996241E-08-1.82985029E-12-9.26631430E+03+2.56887672E+01 4
+BC5H10CHO H 11C 6O 1 G 300.00 5000.00 1367.00 1
++1.82908067E+01+2.59026407E-02-8.81352457E-06+1.36402372E-09-7.89790437E-14 2
+-1.78663480E+04-6.54504237E+01+4.69657063E+00+4.76049368E-02-1.66055685E-05 3
+-1.05558524E-09+1.25802118E-12-1.20896615E+04+1.12115516E+01 4
+CC5H10CHO H 11C 6O 1 G 300.00 5000.00 1370.00 1
++1.97791361E+01+2.41036798E-02-8.09050791E-06+1.24169106E-09-7.15088157E-14 2
+-1.73655341E+04-7.36829477E+01+2.07020470E+00+5.88423981E-02-3.07237418E-05 3
++6.09963192E-09-4.14588610E-14-1.06128410E+04+2.36788016E+01 4
+DC5H10CHO H 11C 6O 1 G 300.00 5000.00 1390.00 1
++1.99907235E+01+2.49761165E-02-8.60141036E-06+1.34157728E-09-7.80872686E-14 2
+-2.07800110E+04-7.85917123E+01+1.86373573E-01+6.96553238E-02-4.70667833E-05 3
++1.64607489E-08-2.37789418E-12-1.37031871E+04+2.84004351E+01 4
+C4H7CHO2-1 C 5H 8O 1 G 300.00 5000.00 1387.00 1
++1.50265898E+01+1.98533832E-02-6.83413130E-06+1.06561288E-09-6.20117822E-14 2
+-2.05562762E+04-5.08643339E+01+4.19720449E-01+5.14338117E-02-3.24110908E-05 3
++1.03305738E-08-1.33536312E-12-1.51894369E+04+2.85525761E+01 4
+C4H7CO2-1 C 5H 7O 1 G 300.00 5000.00 1387.00 1
++1.46069636E+01+1.77278548E-02-6.11539466E-06+9.54916411E-10-5.56262722E-14 2
+-1.59318351E+03-4.69402980E+01+1.19183326E+00+4.66489693E-02-2.93898842E-05 3
++9.28937321E-09-1.18024785E-12+3.33903076E+03+2.60182626E+01 4
+C4H6CHO2-11 C 5H 7O 1 G 300.00 5000.00 1382.00 1
++1.50770441E+01+1.76352320E-02-6.15283553E-06+9.68110806E-10-5.66958265E-14 2
+-3.69027437E+03-5.25862180E+01+2.35102910E-01+4.90480953E-02-3.06247988E-05 3
++9.27600376E-09-1.08743878E-12+1.81741691E+03+2.83277222E+01 4
+NC5H11CHO-2 C 6H 12O 1 G 300.00 5000.00 1391.00 1
++2.00982291E+01+2.72817790E-02-9.36387879E-06+1.45721424E-09-8.46851264E-14 2
+-4.08938806E+04-7.82796618E+01-6.63995024E-01+7.30955033E-02-4.73492243E-05 3
++1.55631650E-08-2.07002560E-12-3.33920899E+04+3.42175340E+01 4
+NC5H11CO-2 H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.96784077E+01+2.51568048E-02-8.64540248E-06+1.34656434E-09-7.83025296E-14 2
+-2.19307480E+04-7.43546147E+01+1.16758124E-01+6.82693494E-02-4.42620972E-05 3
++1.44793001E-08-1.90521993E-12-1.48648649E+04+3.16437363E+01 4
+C5H10CHO1-2 H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.96030867E+01+2.52891123E-02-8.70536133E-06+1.35735154E-09-7.89864303E-14 2
+-1.58087615E+04-7.27643455E+01+2.50648271E-01+6.79173299E-02-4.40160471E-05 3
++1.44761571E-08-1.93001964E-12-8.80171162E+03+3.21325034E+01 4
+C5H10CHO2-2 H 11C 6O 1 G 300.00 5000.00 1387.00 1
++1.98422317E+01+2.51479748E-02-8.67006162E-06+1.35320867E-09-7.87996524E-14 2
+-2.14683129E+04-7.64444775E+01+1.73182466E+00+6.43663644E-02-4.07006946E-05 3
++1.31756525E-08-1.75720281E-12-1.47992628E+04+2.20340879E+01 4
+C5H10CHO3-2 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.52295650E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.26151874E+01 4
+C5H10CHO4-2 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++2.01227062E+01+2.38797102E-02-8.02929509E-06+1.23389172E-09-7.11284276E-14 2
+-1.74161761E+04-7.52295650E+01+4.16999842E-01+6.37354262E-02-3.53661717E-05 3
++7.90793428E-09-2.83991537E-13-1.00633239E+04+3.26151874E+01 4
+C5H10CHO5-2 H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.96030867E+01+2.52891123E-02-8.70536133E-06+1.35735154E-09-7.89864303E-14 2
+-1.58087615E+04-7.27643455E+01+2.50648271E-01+6.79173299E-02-4.40160471E-05 3
++1.44761571E-08-1.93001964E-12-8.80171162E+03+3.21325034E+01 4
+IC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1385.00 1
++1.96716027E+01+2.76137871E-02-9.47281007E-06+1.47372073E-09-8.56287665E-14 2
+-4.46968524E+04-7.70860283E+01+2.15842829E-01+6.95990530E-02-4.36127297E-05 3
++1.40149197E-08-1.85871558E-12-3.75149674E+04+2.87655890E+01 4
+IC4H9COCH2 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++2.00550742E+01+2.50289534E-02-8.64295538E-06+1.35045324E-09-7.86996381E-14 2
+-2.32692903E+04-7.96295398E+01-8.85109555E-03+7.18485099E-02-5.13644229E-05 3
++1.95806869E-08-3.14088023E-12-1.62014899E+04+2.83041302E+01 4
+IC3H6CH2COCH3 H 11C 6O 1 G 300.00 5000.00 1384.00 1
++1.92350685E+01+2.54691830E-02-8.74019579E-06+1.36010558E-09-7.90430908E-14 2
+-1.96199680E+04-7.18660640E+01+9.98048049E-01+6.49643385E-02-4.10265248E-05 3
++1.33100492E-08-1.78538338E-12-1.29033820E+04+2.73030609E+01 4
+IC3H7CHCOCH3 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++1.96562823E+01+2.54184878E-02-8.78893878E-06+1.37447968E-09-8.01497293E-14 2
+-2.45270816E+04-7.74993869E+01-2.51604981E-01+6.97141127E-02-4.63557738E-05 3
++1.59308350E-08-2.26917501E-12-1.73298735E+04+3.03076641E+01 4
+TC3H6CH2COCH3 H 11C 6O 1 G 300.00 5000.00 1371.00 1
++1.77113032E+01+2.67601997E-02-9.18468022E-06+1.42938449E-09-8.30724009E-14 2
+-2.15275561E+04-6.30096890E+01+4.31403212E+00+4.74850997E-02-1.58404162E-05 3
+-1.44367305E-09+1.30323000E-12-1.57256666E+04+1.28475963E+01 4
+IC3H7COC2H5 C 6H 12O 1 G 300.00 5000.00 1388.00 1
++1.95742624E+01+2.79153955E-02-9.62240824E-06+1.50159041E-09-8.74272923E-14 2
+-4.46495838E+04-7.64499712E+01-6.16680077E-01+7.32642523E-02-4.89979081E-05 3
++1.73849382E-08-2.61137271E-12-3.73481224E+04+3.28134678E+01 4
+IC3H6COC2H5 H 11C 6O 1 G 300.00 5000.00 1388.00 1
++1.91427169E+01+2.57997569E-02-8.90698843E-06+1.39139804E-09-8.10704551E-14 2
+-1.95812003E+04-7.12754331E+01+1.85792567E-01+6.85681889E-02-4.63201856E-05 3
++1.66403586E-08-2.53394238E-12-1.27405850E+04+3.12500304E+01 4
+TC3H6COC2H5 H 11C 6O 1 G 300.00 5000.00 1385.00 1
++1.94096429E+01+2.56460908E-02-8.86990249E-06+1.38724701E-09-8.08943523E-14 2
+-2.52544006E+04-7.58177941E+01+1.53943727E+00+6.56302319E-02-4.39137825E-05 3
++1.59015819E-08-2.48520903E-12-1.87203799E+04+2.10366385E+01 4
+IC3H7COC2H4P H 11C 6O 1 G 300.00 5000.00 1388.00 1
++1.91427169E+01+2.57997569E-02-8.90698843E-06+1.39139804E-09-8.10704551E-14 2
+-1.95812003E+04-7.12754331E+01+1.85792567E-01+6.85681889E-02-4.63201856E-05 3
++1.66403586E-08-2.53394238E-12-1.27405850E+04+3.12500304E+01 4
+IC3H7COC2H4S H 11C 6O 1 G 300.00 5000.00 1391.00 1
++1.98203739E+01+2.53580298E-02-8.78518135E-06+1.37564474E-09-8.02875152E-14 2
+-2.45797543E+04-7.83471052E+01-1.70558101E+00+7.60903708E-02-5.54669217E-05 3
++2.13940243E-08-3.44499097E-12-1.70692585E+04+3.72359808E+01 4
+IC3H5COC2H5 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.87507788E+01+2.39971118E-02-8.28168460E-06+1.29336620E-09-7.53430880E-14 2
+-3.06311914E+04-7.17081859E+01+9.32448574E-01+6.57899872E-02-4.70608871E-05 3
++1.83043778E-08-3.03065842E-12-2.43309438E+04+2.41443648E+01 4
+AC3H4COC2H5 C 6H 9O 1 G 300.00 5000.00 1389.00 1
++1.97160567E+01+2.09105684E-02-7.28102584E-06+1.14398254E-09-6.69250385E-14 2
+-1.26601703E+04-7.73334256E+01+2.22257490E-02+6.98924485E-02-5.57441882E-05 3
++2.36923195E-08-4.16823986E-12-6.00720413E+03+2.75671654E+01 4
+IC3H5COC2H4P C 6H 9O 1 G 300.00 5000.00 1388.00 1
++1.83242746E+01+2.18703696E-02-7.56100862E-06+1.18221142E-09-6.89246734E-14 2
+-5.56408662E+03-6.65602309E+01+1.73482909E+00+6.10899133E-02-4.43710538E-05 3
++1.75466750E-08-2.94922111E-12+2.76716397E+02+2.25822178E+01 4
+IC3H5COC2H4S C 6H 9O 1 G 300.00 5000.00 1391.00 1
++1.89823944E+01+2.13803288E-02-7.40835524E-06+1.16018120E-09-6.77175714E-14 2
+-1.05407468E+04-7.34787496E+01+3.03036638E-01+6.64634913E-02-5.02432600E-05 3
++2.02128668E-08-3.38770724E-12-4.11851053E+03+2.64622328E+01 4
+IC3H7COCH3 C 5O 1H 10 G 300.00 5000.00 1389.00 1
++1.66064519E+01+2.32019647E-02-7.99419096E-06+1.24726904E-09-7.26144595E-14 2
+-4.05445159E+04-6.23441565E+01-9.31815420E-01+6.11577694E-02-3.86369073E-05 3
++1.22337141E-08-1.55133066E-12-3.41205261E+04+3.29700276E+01 4
+IC3H7COCH2 C 5H 9O 1 G 300.00 5000.00 1392.00 1
++1.71358006E+01+2.04135931E-02-7.07825623E-06+1.10904867E-09-6.47575444E-14 2
+-1.91759763E+04-6.57203548E+01-1.39438834E+00+6.43760252E-02-4.76105491E-05 3
++1.84219134E-08-2.94771401E-12-1.27695653E+04+3.36240984E+01 4
+IC3H6COCH3 C 5H 9O 1 G 300.00 5000.00 1388.00 1
++1.61723542E+01+2.12415058E-02-7.36560280E-06+1.15405451E-09-6.73833225E-14 2
+-1.55092968E+04-5.72444093E+01-4.44749274E-01+5.79587426E-02-3.82556215E-05 3
++1.30231961E-08-1.83858852E-12-9.46805936E+03+3.28465446E+01 4
+TC3H6COCH3 C 5H 9O 1 G 300.00 5000.00 1384.00 1
++1.63530510E+01+2.10676490E-02-7.30082755E-06+1.14341930E-09-6.67420849E-14 2
+-2.11207671E+04-6.12189536E+01+1.49496642E+00+5.23112685E-02-3.18357357E-05 3
++9.76462981E-09-1.22303232E-12-1.55329086E+04+1.99445543E+01 4
+C5H91-2 C 5H 9 G 300.00 5000.00 1390.00 1
++1.39474859E+01+2.04521287E-02-6.96967387E-06+1.07931978E-09-6.25066129E-14 2
++1.90755987E+04-4.67176900E+01+7.12538388E-01+4.89480531E-02-2.99536208E-05 3
++9.37086243E-09-1.19699264E-12+2.39583024E+04+2.52948336E+01 4
+IC5H8 C 5H 8 G 300.00 5000.00 1397.00 1
++1.44434478E+01+1.79881464E-02-6.13571042E-06+9.50663040E-10-5.50722345E-14 2
++2.24578329E+03-5.33800482E+01-1.11131238E+00+5.91227821E-02-4.93559208E-05 3
++2.20613521E-08-4.02420818E-12+7.23728071E+03+2.85722066E+01 4
+IC5H7 C 5H 7 G 300.00 5000.00 1400.00 1
++1.48523478E+01+1.55764392E-02-5.31690304E-06+8.24223820E-10-4.77657150E-14 2
++2.04956443E+04-5.57447845E+01-2.02197006E+00+6.36290064E-02-5.92705516E-05 3
++2.85610470E-08-5.45166203E-12+2.55520226E+04+3.19175495E+01 4
+IC5H7O C 5H 7O 1 G 300.00 5000.00 1400.00 1
++1.62444018E+01+1.64622833E-02-5.61159358E-06+8.69195043E-10-5.03459699E-14 2
++1.04712677E+04-5.86535026E+01+1.85980968E-02+5.95559487E-02-5.06312537E-05 3
++2.25692249E-08-4.06207685E-12+1.56080849E+04+2.66826190E+01 4
+IC4H7-I1 C 4H 7 G 300.00 5000.00 1389.00 1
++1.10957600E+01+1.57810049E-02-5.38419615E-06+8.34360121E-10-4.83401481E-14 2
++2.24175827E+04-3.40426822E+01+1.87632434E+00+3.54486107E-02-2.13104949E-05 3
++6.73400492E-09-9.03166339E-13+2.58712914E+04+1.62429161E+01 4
+C7H16-24 H 16C 7 G 300.00 5000.00 1391.00 1
++2.22587834E+01+3.52460342E-02-1.21165333E-05+1.88731524E-09-1.09741951E-13 2
+-3.66865565E+04-9.49273295E+01-2.25657881E+00+8.93437536E-02-5.76290654E-05 3
++1.93991731E-08-2.72881106E-12-2.77531748E+04+3.80308727E+01 4
+XC7H15 H 15C 7 G 300.00 5000.00 1391.00 1
++2.18442431E+01+3.30970511E-02-1.13855507E-05+1.77428049E-09-1.03203205E-13 2
+-1.16221052E+04-8.98480981E+01-1.48792779E+00+8.47935030E-02-5.51477546E-05 3
++1.87561345E-08-2.66966132E-12-3.14049112E+03+3.66194993E+01 4
+YC7H15 H 15C 7 G 300.00 5000.00 1384.00 1
++2.04581471E+01+3.43076361E-02-1.18102635E-05+1.84129611E-09-1.07133806E-13 2
+-1.34978774E+04-8.18212264E+01+1.30897106E+00+6.96136442E-02-3.31150057E-05 3
++5.82888256E-09+3.54427314E-14-5.78512513E+03+2.45658235E+01 4
+ZC7H15 H 15C 7 G 300.00 5000.00 1388.00 1
++2.14125023E+01+3.31721888E-02-1.13499859E-05+1.76256438E-09-1.02279053E-13 2
+-1.28665096E+04-8.69738045E+01-1.20411785E+00+8.05601821E-02-4.75710195E-05 3
++1.36213268E-08-1.47301903E-12-4.42797757E+03+3.64892374E+01 4
+XC7H14 H 14C 7 G 300.00 5000.00 1392.00 1
++2.10164030E+01+3.15214597E-02-1.08073947E-05+1.68040191E-09-9.75892313E-14 2
+-2.12117050E+04-8.63818785E+01-1.33081497E+00+8.21082352E-02-5.49123303E-05 3
++1.94284948E-08-2.88886542E-12-1.32021384E+04+3.43549746E+01 4
+YC7H14 H 14C 7 G 300.00 5000.00 1392.00 1
++2.05074323E+01+3.19644167E-02-1.09618778E-05+1.70463736E-09-9.90036120E-14 2
+-2.23945609E+04-8.39266561E+01-8.42232649E-01+7.89798297E-02-5.04574475E-05 3
++1.68934048E-08-2.37201987E-12-1.45971538E+04+3.19096189E+01 4
+XC7H13-X1 H 13C 7 G 300.00 5000.00 1395.00 1
++2.14417898E+01+2.90951798E-02-9.98351421E-06+1.55317233E-09-9.02369517E-14 2
+-2.99153492E+03-8.88433445E+01-2.29007165E+00+8.67901762E-02-6.50308381E-05 3
++2.60293741E-08-4.33490360E-12+5.10076243E+03+3.79380624E+01 4
+XC7H13-Z H 13C 7 G 300.00 5000.00 1392.00 1
++2.06194069E+01+2.98279790E-02-1.02443684E-05+1.59476927E-09-9.26958038E-14 2
+-4.13779765E+03-8.54759101E+01-1.64635315E+00+8.04509949E-02-5.44891453E-05 3
++1.93900770E-08-2.88082382E-12+3.80138821E+03+3.47109409E+01 4
+XC7H13-X2 H 13C 7 G 300.00 5000.00 1392.00 1
++2.06333635E+01+2.93596738E-02-1.00751188E-05+1.56749343E-09-9.10712060E-14 2
++3.81709053E+03-8.14872912E+01-6.81487817E-01+7.81587844E-02-5.33415630E-05 3
++1.93596117E-08-2.95878717E-12+1.14062580E+04+3.34850181E+01 4
+XC7H13-Y2 H 13C 7 G 300.00 5000.00 1384.00 1
++1.90334388E+01+3.07312993E-02-1.05503266E-05+1.64182432E-09-9.54035635E-14 2
++2.04280444E+03-7.21904286E+01+2.75611600E+00+6.00861401E-02-2.73082667E-05 3
++4.10488099E-09+2.37051604E-13+8.66819644E+03+1.84800966E+01 4
+YC7H13-Y2 H 13C 7 G 300.00 5000.00 1389.00 1
++1.96153468E+01+3.07074105E-02-1.05530468E-05+1.64345959E-09-9.55499728E-14 2
+-6.29650914E+03-8.09254914E+01-3.06783292E-01+7.20691145E-02-4.20233916E-05 3
++1.20050088E-08-1.32605214E-12+1.21727364E+03+2.80339431E+01 4
+YC7H13-X2 H 13C 7 G 300.00 5000.00 1392.00 1
++2.00933242E+01+2.98145345E-02-1.02304735E-05+1.59152568E-09-9.24599545E-14 2
++2.64933003E+03-7.88503811E+01-7.91768575E-02+7.44508349E-02-4.80063873E-05 3
++1.62687796E-08-2.31692063E-12+9.99635526E+03+3.05249774E+01 4
+XC7H13O-Z H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.44947643E+01+2.76331607E-02-9.27884306E-06+1.42378456E-09-8.19634936E-14 2
+-1.56065414E+04-1.01342872E+02-2.29755615E+00+9.42066780E-02-7.32881979E-05 3
++2.96623011E-08-4.88038965E-12-6.75095244E+03+4.10526275E+01 4
+YC7H13O-Y2 H 13O 1C 7 G 300.00 5000.00 1391.00 1
++2.44895570E+01+2.72499278E-02-9.06880008E-06+1.38347877E-09-7.93299137E-14 2
+-1.87690928E+04-1.02028362E+02-7.27101657E-01+8.87136384E-02-6.66483821E-05 3
++2.60146126E-08-4.12941257E-12-1.03333355E+04+3.23860863E+01 4
+XC7H15O2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.56414129E+01+3.47282720E-02-1.19896068E-05+1.87291322E-09-1.09123152E-13 2
+-3.07410559E+04-1.04954825E+02-3.84752007E-02+9.34559105E-02-6.43540160E-05 3
++2.37092902E-08-3.70460189E-12-2.15504468E+04+3.36546874E+01 4
+YC7H15O2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.63777368E+01+3.40995934E-02-1.17718548E-05+1.83881800E-09-1.07133205E-13 2
+-3.39133584E+04-1.11594572E+02-1.76194227E-01+9.72567634E-02-7.10835784E-05 3
++2.80486966E-08-4.66877903E-12-2.46466146E+04+3.08813371E+01 4
+ZC7H15O2 H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.63546014E+01+3.40976129E-02-1.17666253E-05+1.83754787E-09-1.07041520E-13 2
+-3.32966218E+04-1.10629431E+02-1.09410159E+00+9.99287589E-02-7.39793556E-05 3
++2.94068415E-08-4.90156423E-12-2.37993417E+04+3.64080629E+01 4
+XC7H15O2H H 16O 2C 7 G 300.00 5000.00 1390.00 1
++2.81216777E+01+3.48595780E-02-1.20626646E-05+1.88740293E-09-1.10097870E-13 2
+-4.86610859E+04-1.19350859E+02-1.07998201E+00+1.02632930E-01-7.30114235E-05 3
++2.72817863E-08-4.24730414E-12-3.83873878E+04+3.77857109E+01 4
+YC7H15O2H H 16O 2C 7 G 300.00 5000.00 1391.00 1
++2.88447004E+01+3.42584124E-02-1.18579214E-05+1.85569904E-09-1.08261580E-13 2
+-5.18320516E+04-1.25923739E+02-1.20161039E+00+1.06345258E-01-7.96123831E-05 3
++3.15543609E-08-5.19979696E-12-4.14854280E+04+3.49419277E+01 4
+ZC7H15O2H H 16O 2C 7 G 300.00 5000.00 1392.00 1
++2.88229476E+01+3.43227287E-02-1.18901707E-05+1.86177460E-09-1.08657283E-13 2
+-5.12136411E+04-1.24971491E+02-2.58640712E+00+1.11560622E-01-8.67188425E-05 3
++3.57207770E-08-6.08505338E-12-4.05800374E+04+4.25341257E+01 4
+XC7H15O H 15O 1C 7 G 300.00 5000.00 1394.00 1
++2.41616909E+01+3.32639410E-02-1.13554345E-05+1.76073607E-09-1.02065780E-13 2
+-2.89036843E+04-9.99171927E+01-2.12392457E+00+9.42337139E-02-6.56213910E-05 3
++2.38766720E-08-3.58807400E-12-1.97093497E+04+4.14440060E+01 4
+YC7H15O H 15O 1C 7 G 300.00 5000.00 1395.00 1
++2.47809281E+01+3.28455378E-02-1.12333696E-05+1.74388123E-09-1.01169596E-13 2
+-3.24443314E+04-1.05462269E+02-2.14864865E+00+9.76137225E-02-7.19206795E-05 3
++2.80967216E-08-4.55397977E-12-2.32266835E+04+3.85922413E+01 4
+ZC7H15O H 15O 1C 7 G 300.00 5000.00 1394.00 1
++2.45898334E+01+3.33410501E-02-1.14764761E-05+1.78922434E-09-1.04105238E-13 2
+-3.12830956E+04-1.04155336E+02-2.84044982E+00+9.93875924E-02-7.37966239E-05 3
++2.91964205E-08-4.81215712E-12-2.18617942E+04+4.26176405E+01 4
+XC7H14OOH-X1 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.76866934E+01+3.27519448E-02-1.13511515E-05+1.77794106E-09-1.03788494E-13 2
+-2.35926173E+04-1.14159415E+02-2.51727235E-01+9.78145920E-02-7.01472152E-05 3
++2.64234133E-08-4.14539753E-12-1.37835369E+04+3.61045018E+01 4
+XC7H14OOH-Y1 H 15O 2C 7 G 300.00 5000.00 1384.00 1
++2.61414592E+01+3.40778275E-02-1.18110807E-05+1.84996634E-09-1.07990658E-13 2
+-2.53953124E+04-1.04497256E+02+2.95681082E+00+8.07846396E-02-4.56461631E-05 3
++1.21120567E-08-1.15794225E-12-1.64878756E+04+2.28485210E+01 4
+XC7H14OOH-Z H 15O 2C 7 G 300.00 5000.00 1386.00 1
++2.76489022E+01+3.21124316E-02-1.09907912E-05+1.70782491E-09-9.91661874E-14 2
+-2.49553598E+04-1.13432329E+02-2.95763440E-01+9.48248078E-02-6.38882580E-05 3
++2.16789885E-08-2.95322694E-12-1.50176743E+04+3.75215127E+01 4
+XC7H14OOH-Y2 H 15O 2C 7 G 300.00 5000.00 1384.00 1
++2.61414592E+01+3.40778275E-02-1.18110807E-05+1.84996634E-09-1.07990658E-13 2
+-2.53953124E+04-1.04497256E+02+2.95681082E+00+8.07846396E-02-4.56461631E-05 3
++1.21120567E-08-1.15794225E-12-1.64878756E+04+2.28485210E+01 4
+XC7H14OOH-X2 H 15O 2C 7 G 300.00 5000.00 1390.00 1
++2.76866934E+01+3.27519448E-02-1.13511515E-05+1.77794106E-09-1.03788494E-13 2
+-2.35926173E+04-1.14159415E+02-2.51727235E-01+9.78145920E-02-7.01472152E-05 3
++2.64234133E-08-4.14539753E-12-1.37835369E+04+3.61045018E+01 4
+YC7H14OOH-X1 H 15O 2C 7 G 300.00 5000.00 1391.00 1
++2.84263901E+01+3.21157100E-02-1.11297910E-05+1.74318113E-09-1.01755830E-13 2
+-2.67666014E+04-1.20824059E+02-4.18454720E-01+1.01727305E-01-7.70306053E-05 3
++3.08511142E-08-5.12782774E-12-1.68748345E+04+3.34641392E+01 4
+YC7H14OOH-Z H 15O 2C 7 G 300.00 5000.00 1387.00 1
++2.84317632E+01+3.13846101E-02-1.07271569E-05+1.66546594E-09-9.66539919E-14 2
+-2.81425544E+04-1.20322658E+02-4.53555924E-01+9.86867641E-02-7.06903916E-05 3
++2.60354449E-08-3.91550543E-12-1.81099665E+04+3.48473860E+01 4
+YC7H14OOH-Y2 H 15O 2C 7 G 300.00 5000.00 1385.00 1
++2.68731550E+01+3.34845150E-02-1.16124145E-05+1.81956167E-09-1.06244196E-13 2
+-2.85750405E+04-1.11134463E+02+2.66995736E+00+8.52276202E-02-5.33279784E-05 3
++1.70579835E-08-2.26030253E-12-1.95608398E+04+2.07706674E+01 4
+YC7H14OOH-X2 H 15O 2C 7 G 300.00 5000.00 1391.00 1
++2.84263901E+01+3.21157100E-02-1.11297910E-05+1.74318113E-09-1.01755830E-13 2
+-2.67666014E+04-1.20824059E+02-4.18454720E-01+1.01727305E-01-7.70306053E-05 3
++3.08511142E-08-5.12782774E-12-1.68748345E+04+3.34641392E+01 4
+ZC7H14OOH-X H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.85250212E+01+3.20467109E-02-1.11097617E-05+1.74048822E-09-1.01617868E-13 2
+-2.62116897E+04-1.20590636E+02-1.21852743E+00+1.03879517E-01-7.89028432E-05 3
++3.14758860E-08-5.18634373E-12-1.60472671E+04+3.84351061E+01 4
+ZC7H14OOH-Y H 15O 2C 7 G 300.00 5000.00 1386.00 1
++2.71410520E+01+3.32303001E-02-1.15196486E-05+1.80462020E-09-1.05357677E-13 2
+-2.80696357E+04-1.11832960E+02+2.16826305E+00+8.62685635E-02-5.33544912E-05 3
++1.63970010E-08-2.00930691E-12-1.87867536E+04+2.43016302E+01 4
+XC7H14OOH-X1O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.15322755E+01+3.44371244E-02-1.19956214E-05+1.88521208E-09-1.10307538E-13 2
+-4.27760338E+04-1.29648751E+02+9.60077795E-01+1.07424861E-01-8.07155479E-05 3
++3.22915945E-08-5.40466748E-12-3.21544359E+04+3.42589712E+01 4
+XC7H14OOH-X2O2 H 15O 4C 7 G 300.00 5000.00 1388.00 1
++3.15322755E+01+3.44371244E-02-1.19956214E-05+1.88521208E-09-1.10307538E-13 2
+-4.27760338E+04-1.29648751E+02+9.60077795E-01+1.07424861E-01-8.07155479E-05 3
++3.22915945E-08-5.40466748E-12-3.21544359E+04+3.42589712E+01 4
+XC7H14OOH-Y1O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+XC7H14OOH-Y2O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+XC7H14OOH-ZO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.22331834E+01+3.37949275E-02-1.17636766E-05+1.84791914E-09-1.08091994E-13 2
+-4.53115547E+04-1.34526043E+02+2.62221649E-01+1.12421430E-01-8.82148153E-05 3
++3.66846463E-08-6.31390293E-12-3.44607256E+04+3.60200098E+01 4
+YC7H14OOH-X1O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+YC7H14OOH-X2O2 H 15O 4C 7 G 300.00 5000.00 1389.00 1
++3.22575127E+01+3.38160378E-02-1.17800849E-05+1.85142066E-09-1.08333580E-13 2
+-4.59451819E+04-1.36226843E+02+8.82616562E-01+1.10895993E-01-8.69136416E-05 3
++3.62863771E-08-6.29046824E-12-3.52579660E+04+3.12198702E+01 4
+YC7H14OOH-Y2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.29900436E+01+3.31872151E-02-1.15615317E-05+1.81712155E-09-1.06328553E-13 2
+-4.91154944E+04-1.42843619E+02+7.69727874E-01+1.14558604E-01-9.34126077E-05 3
++4.04699984E-08-7.21791782E-12-3.83571393E+04+2.83373178E+01 4
+YC7H14OOH-ZO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.29254056E+01+3.31981348E-02-1.15556227E-05+1.81519676E-09-1.06176106E-13 2
+-4.84651957E+04-1.40908316E+02+1.85907885E-01+1.15895777E-01-9.44923584E-05 3
++4.07632596E-08-7.22335853E-12-3.75641932E+04+3.29762499E+01 4
+ZC7H14OOH-XO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.22331834E+01+3.37949275E-02-1.17636766E-05+1.84791914E-09-1.08091994E-13 2
+-4.53115547E+04-1.34526043E+02+2.62221649E-01+1.12421430E-01-8.82148153E-05 3
++3.66846463E-08-6.31390293E-12-3.44607256E+04+3.60200098E+01 4
+ZC7H14OOH-YO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.29254056E+01+3.31981348E-02-1.15556227E-05+1.81519676E-09-1.06176106E-13 2
+-4.84651957E+04-1.40908316E+02+1.85907885E-01+1.15895777E-01-9.44923584E-05 3
++4.07632596E-08-7.22335853E-12-3.75641932E+04+3.29762499E+01 4
+X-X1C7H14O H 14O 1C 7 G 300.00 5000.00 1396.00 1
++2.26665402E+01+3.28947065E-02-1.12431532E-05+1.74493332E-09-1.01220189E-13 2
+-3.38478263E+04-9.69401657E+01-5.93233379E+00+9.96147343E-02-7.05301783E-05 3
++2.56339002E-08-3.78592163E-12-2.39466812E+04+5.66181792E+01 4
+X-X2C7H14O H 14O 1C 7 G 300.00 5000.00 1393.00 1
++2.27906942E+01+3.39393031E-02-1.16718767E-05+1.81912714E-09-1.05839343E-13 2
+-4.65745416E+04-1.04541368E+02-8.42909188E+00+1.05647860E-01-7.39367542E-05 3
++2.61424000E-08-3.71654327E-12-3.56658262E+04+6.34695107E+01 4
+X-Y1C7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.39939903E+01+3.14792359E-02-1.07826081E-05+1.67573435E-09-9.72935479E-14 2
+-3.65173057E+04-1.03924708E+02-4.16787595E+00+9.99803184E-02-7.54665578E-05 3
++2.98407957E-08-4.84556052E-12-2.69997568E+04+4.63736105E+01 4
+X-Y2C7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.27255338E+01+3.32678588E-02-1.13715614E-05+1.76494537E-09-1.02384190E-13 2
+-4.74801924E+04-1.00170531E+02-7.91193918E+00+1.07366742E-01-8.04748615E-05 3
++3.12951872E-08-4.96683838E-12-3.71265521E+04+6.34185869E+01 4
+X-ZC7H14O H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.30507052E+01+3.27569243E-02-1.12344217E-05+1.74738309E-09-1.01510008E-13 2
+-3.61254713E+04-1.00035198E+02-6.17862835E+00+1.02848356E-01-7.59942354E-05 3
++2.91603851E-08-4.57622862E-12-2.61745897E+04+5.62691178E+01 4
+Y-YC7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.39674197E+01+3.19629086E-02-1.09575314E-05+1.70388263E-09-9.89667798E-14 2
+-4.09521819E+04-1.07004135E+02-6.12471972E+00+1.06936922E-01-8.38262727E-05 3
++3.44195785E-08-5.77838259E-12-3.09582104E+04+5.29684725E+01 4
+Y-ZC7H14O H 14O 1C 7 G 300.00 5000.00 1399.00 1
++2.45279841E+01+3.11656013E-02-1.07038606E-05+1.66638951E-09-9.68649509E-14 2
+-3.88685243E+04-1.07909911E+02-4.91085052E+00+1.05210433E-01-8.35686401E-05 3
++3.48335772E-08-5.93251290E-12-2.91477688E+04+4.83640609E+01 4
+C7KET24XX1 H 14O 3C 7 G 300.00 5000.00 1390.00 1
++2.91773205E+01+3.16574729E-02-1.10131609E-05+1.72942809E-09-1.01139477E-13 2
+-5.82061964E+04-1.20841473E+02-3.70842437E-01+1.01207029E-01-7.44929029E-05 3
++2.85454154E-08-4.51955286E-12-4.79358937E+04+3.77687030E+01 4
+C7KET24XY1 H 14O 3C 7 G 300.00 5000.00 1391.00 1
++3.05986062E+01+3.04830919E-02-1.06169237E-05+1.66863133E-09-9.76462072E-14 2
+-6.12856877E+04-1.31157962E+02+6.41882798E-03+1.01759566E-01-7.41285910E-05 3
++2.74791897E-08-4.13984783E-12-5.06560053E+04+3.31872703E+01 4
+C7KET24XZ H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.00499738E+01+3.09109258E-02-1.07549224E-05+1.68908229E-09-9.87900071E-14 2
+-6.08371300E+04-1.26080160E+02-1.14060367E+00+1.06356265E-01-8.17595796E-05 3
++3.26105395E-08-5.33201882E-12-5.02289831E+04+4.05757595E+01 4
+C7KET24XY2 H 14O 3C 7 G 300.00 5000.00 1391.00 1
++2.99220507E+01+3.10354540E-02-1.08007132E-05+1.69647016E-09-9.92281409E-14 2
+-6.13838880E+04-1.26847399E+02-6.22798600E-01+1.05547947E-01-8.20361319E-05 3
++3.33950559E-08-5.59748012E-12-5.10157719E+04+3.62065727E+01 4
+C7KET24XX2 H 14O 3C 7 G 300.00 5000.00 1390.00 1
++2.91773205E+01+3.16574729E-02-1.10131609E-05+1.72942809E-09-1.01139477E-13 2
+-5.82061964E+04-1.20151991E+02-3.70842437E-01+1.01207029E-01-7.44929029E-05 3
++2.85454154E-08-4.51955286E-12-4.79358937E+04+3.84581846E+01 4
+C7KET24ZX H 14O 3C 7 G 300.00 5000.00 1390.00 1
++2.92298738E+01+3.17211520E-02-1.10600349E-05+1.73941402E-09-1.01831297E-13 2
+-6.20924140E+04-1.21861626E+02-2.08943567E+00+1.06507904E-01-8.05300329E-05 3
++3.16495195E-08-5.12149728E-12-5.13207242E+04+4.58648718E+01 4
+C7KET24ZY H 14O 3C 7 G 300.00 5000.00 1391.00 1
++3.07201914E+01+3.05414582E-02-1.06739606E-05+1.68146856E-09-9.85557204E-14 2
+-6.52233218E+04-1.33320723E+02-1.81246994E+00+1.07397367E-01-8.04619526E-05 3
++3.07120590E-08-4.76647747E-12-5.40235336E+04+4.10770246E+01 4
+XC7H14OH H 15O 1C 7 G 300.00 5000.00 1386.00 1
++2.22783263E+01+3.43327362E-02-1.16997135E-05+1.81185921E-09-1.04934239E-13 2
+-3.19677719E+04-8.54790118E+01+1.88943975E+00+7.43381040E-02-3.88094379E-05 3
++8.74062545E-09-4.92170854E-13-2.40700279E+04+2.68171689E+01 4
+YC7H14OH H 15O 1C 7 G 300.00 5000.00 1389.00 1
++2.27293371E+01+3.43645876E-02-1.17989857E-05+1.83627381E-09-1.06708101E-13 2
+-3.42895016E+04-9.04748301E+01+1.36660349E+00+7.90423499E-02-4.65478027E-05 3
++1.38397859E-08-1.67038637E-12-2.62284524E+04+2.63092261E+01 4
+XO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1397.00 1
++2.73863988E+01+3.45662399E-02-1.17551163E-05+1.81764080E-09-1.05147179E-13 2
+-5.18970846E+04-1.10029790E+02+1.19975843E+00+9.92007500E-02-7.45281247E-05 3
++3.02238575E-08-5.10583956E-12-4.30635722E+04+2.95218725E+01 4
+YO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1399.00 1
++2.82113574E+01+3.39628072E-02-1.15682001E-05+1.79065554E-09-1.03663938E-13 2
+-5.43388441E+04-1.15707359E+02+4.75540024E-01+1.04224433E-01-8.16974991E-05 3
++3.43215207E-08-5.94520562E-12-4.51793605E+04+3.14329685E+01 4
+ACC6H10 C 6H 10 G 300.00 5000.00 1395.00 1
++1.71179863E+01+2.28897637E-02-7.81690438E-06+1.21213325E-09-7.02598741E-14 2
+-3.26888037E+03-6.66240298E+01-7.62523956E-01+6.76164058E-02-5.21691523E-05 3
++2.17987069E-08-3.79061510E-12+2.72970447E+03+2.84975422E+01 4
+ACC6H9-A C 6H 9 G 300.00 5000.00 1398.00 1
++1.75340261E+01+2.04761944E-02-6.99836000E-06+1.08582750E-09-6.29648075E-14 2
++1.49755134E+04-6.90316659E+01-1.70849840E+00+7.22432674E-02-6.22150506E-05 3
++2.83599259E-08-5.22870348E-12+2.10506573E+04+3.20184824E+01 4
+ACC6H9-D C 6H 9 G 300.00 5000.00 1398.00 1
++1.75340261E+01+2.04761944E-02-6.99836000E-06+1.08582750E-09-6.29648075E-14 2
++1.49755134E+04-6.90316659E+01-1.70849840E+00+7.22432674E-02-6.22150506E-05 3
++2.83599259E-08-5.22870348E-12+2.10506573E+04+3.20184824E+01 4
+NEOC5H12 C 5H 12 G 300.00 5000.00 1380.00 1
++1.27806765E+01+3.70070524E-02-1.45062377E-05+2.44060047E-09-1.48999316E-13 2
+-2.88309615E+04-5.30464429E+01+5.02070151E+00+3.12645024E-02+1.44944421E-05 3
+-1.94266921E-08+4.79323580E-12-2.31797674E+04-1.95757948E+00 4
+NEOC5H11 H 11C 5 G 300.00 5000.00 1449.00 1
++2.03101659E+01+2.14646697E-02-7.72125763E-06+1.23982682E-09-7.36407564E-14 2
+-6.45138607E+03-9.01108572E+01+3.39222761E+00+3.54069089E-02+1.20020080E-05 3
+-2.34112635E-08+6.79995937E-12+1.81088321E+03+9.54432517E+00 4
+NEOC5H11O2H C 5O 2H 12 G 300.00 5000.00 1393.00 1
++2.30055594E+01+2.48094574E-02-8.60476532E-06+1.34851605E-09-7.87533536E-14 2
+-4.11576544E+04-9.75546111E+01-1.35552468E+00+8.40709229E-02-6.47631200E-05 3
++2.59805766E-08-4.27483246E-12-3.29053072E+04+3.24915628E+01 4
+NEOC5H11O2 H 11C 5O 2 G 300.00 5000.00 1392.00 1
++2.05483317E+01+2.46304650E-02-8.50918788E-06+1.32989124E-09-7.75131681E-14 2
+-2.32426335E+04-8.32803718E+01-3.91775516E-01+7.52300028E-02-5.65787545E-05 3
++2.26724856E-08-3.78445370E-12-1.60564398E+04+2.87221556E+01 4
+NEOC5H11O H 11C 5O 1 G 300.00 5000.00 1399.00 1
++1.91195281E+01+2.30837786E-02-7.83941709E-06+1.21152000E-09-7.00727365E-14 2
+-2.14257999E+04-7.85283647E+01-2.41265702E+00+7.56872456E-02-5.73116804E-05 3
++2.24731318E-08-3.58123651E-12-1.42243837E+04+3.62184819E+01 4
+NEOC5H10OOH H 11C 5O 2 G 300.00 5000.00 1393.00 1
++2.25938496E+01+2.26535559E-02-7.87044393E-06+1.23486461E-09-7.21749471E-14 2
+-1.60940953E+04-9.13887696E+01-6.05220938E-01+7.95912576E-02-6.23765713E-05 3
++2.53893962E-08-4.22581104E-12-8.28955104E+03+3.22696177E+01 4
+NEO-C5H10O C 5O 1H 10 G 300.00 5000.00 1403.00 1
++1.76460110E+01+2.26810717E-02-7.71282279E-06+1.19323852E-09-6.90742459E-14 2
+-2.67804002E+04-7.31948416E+01-6.21847733E+00+8.10795749E-02-6.22501526E-05 3
++2.42500217E-08-3.78360032E-12-1.88653812E+04+5.38517819E+01 4
+NEOC5H10OOH-O2 H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.64382058E+01+2.43196513E-02-8.50395001E-06+1.33997386E-09-7.85500831E-14 2
+-3.52730137E+04-1.07549044E+02+7.25192782E-01+8.86390464E-02-7.20740991E-05 3
++3.06945725E-08-5.35625298E-12-2.66774545E+04+2.91925393E+01 4
+NEOC5H9Q2 H 11C 5O 4 G 300.00 5000.00 1390.00 1
++2.84924817E+01+2.23169431E-02-7.85239093E-06+1.24255070E-09-7.30566568E-14 2
+-2.81259185E+04-1.16798635E+02+5.36224909E-01+9.28531598E-02-7.76106867E-05 3
++3.32225137E-08-5.75083671E-12-1.89132804E+04+3.15372433E+01 4
+NEOC5H9Q2-N H 11C 5O 4 G 300.00 5000.00 1389.00 1
++2.84283606E+01+2.23619635E-02-7.86547442E-06+1.24430912E-09-7.31466295E-14 2
+-3.05855190E+04-1.16031982E+02+2.05191235E+00+8.76308565E-02-7.11248833E-05 3
++2.97224410E-08-5.05675432E-12-2.17504634E+04+2.44010834E+01 4
+NEOC5KET C 5O 3H 10 G 300.00 5000.00 1392.00 1
++2.41117737E+01+2.15583159E-02-7.53756458E-06+1.18774259E-09-6.96319686E-14 2
+-5.03865650E+04-9.82600424E+01-2.93866665E-01+8.08589203E-02-6.33447432E-05 3
++2.53685892E-08-4.12504952E-12-4.21493526E+04+3.19875845E+01 4
+NEOC5KETOX C 5O 2H 9 G 300.00 5000.00 1397.00 1
++2.02085594E+01+1.98922444E-02-6.80238854E-06+1.05642957E-09-6.13207764E-14 2
+-3.06516733E+04-7.91464968E+01-1.28848119E+00+7.23078481E-02-5.57421308E-05 3
++2.18319155E-08-3.43735834E-12-2.34809037E+04+3.54017618E+01 4
+NEOC5KEJOL C 5O 2H 9 G 300.00 5000.00 1398.00 1
++1.98786165E+01+1.96143658E-02-6.67699815E-06+1.03377708E-09-5.98769869E-14 2
+-3.79829779E+04-7.56009507E+01-5.89078395E-01+6.96251860E-02-5.34739597E-05 3
++2.09396311E-08-3.29975554E-12-3.11678008E+04+3.34219207E+01 4
+IC4H6Q2-II C 4O 4H 8 G 300.00 5000.00 1395.00 1
++2.24051581E+01+1.75562429E-02-6.07364156E-06+9.50166957E-10-5.54197350E-14 2
+-3.21818575E+04-8.09661209E+01+5.23327960E+00+6.08735678E-02-4.90787099E-05 3
++2.07966368E-08-3.60550230E-12-2.64988062E+04+1.01881862E+01 4
+NEOC6H14 H 14C 6 G 300.00 5000.00 1397.00 1
++2.06883286E+01+2.88781796E-02-9.81789236E-06+1.51824834E-09-8.78482687E-14 2
+-3.33494682E+04-8.99844746E+01-3.12747832E+00+8.44727715E-02-5.93030427E-05 3
++2.15157398E-08-3.18466066E-12-2.51021282E+04+3.78888101E+01 4
+FC6H13 H 13C 6 G 300.00 5000.00 1397.00 1
++2.02634240E+01+2.67379786E-02-9.08984494E-06+1.40565477E-09-8.13342971E-14 2
+-8.27920571E+03-8.37456502E+01-2.36606554E+00+7.99561662E-02-5.68809640E-05 3
++2.09107562E-08-3.13360357E-12-4.88329998E+02+3.76080899E+01 4
+GC6H13 H 13C 6 G 300.00 5000.00 1390.00 1
++2.00983090E+01+2.64273080E-02-8.89430923E-06+1.36679972E-09-7.87612858E-14 2
+-9.64324892E+03-8.34925532E+01-1.92822448E+00+7.49679480E-02-4.80272338E-05 3
++1.48963904E-08-1.73201411E-12-1.79782876E+03+3.56787694E+01 4
+HC6H13 H 13C 6 G 300.00 5000.00 1397.00 1
++2.02634240E+01+2.67379786E-02-9.08984494E-06+1.40565477E-09-8.13342971E-14 2
+-8.27920571E+03-8.48427815E+01-2.36606554E+00+7.99561662E-02-5.68809640E-05 3
++2.09107562E-08-3.13360357E-12-4.88329998E+02+3.65109585E+01 4
+NEOC6H12 C 6H 12 G 300.00 5000.00 1398.00 1
++1.97012900E+01+2.49282969E-02-8.43267154E-06+1.29989939E-09-7.50557893E-14 2
+-1.69324896E+04-8.35619319E+01-3.56898987E+00+8.16665279E-02-6.15853251E-05 3
++2.40142734E-08-3.80041411E-12-9.14831349E+03+4.04711010E+01 4
+NEOC6H11 H 11C 6 G 300.00 5000.00 1397.00 1
++1.90679022E+01+2.29697448E-02-7.76782362E-06+1.19718933E-09-6.91168613E-14 2
++1.22301063E+04-7.79377125E+01-1.79052001E+00+7.31749968E-02-5.40628622E-05 3
++2.06333931E-08-3.19855898E-12+1.92749294E+04+3.34750987E+01 4
+FC6H13O2 H 13C 6O 2 G 300.00 5000.00 1392.00 1
++2.37102479E+01+2.91395292E-02-1.00597409E-05+1.57146927E-09-9.15628844E-14 2
+-2.73396885E+04-9.77395504E+01-5.61462407E-01+8.71883025E-02-6.44783024E-05 3
++2.53831095E-08-4.17008314E-12-1.89538664E+04+3.22894664E+01 4
+GC6H13O2 H 13C 6O 2 G 300.00 5000.00 1394.00 1
++2.45260573E+01+2.84490265E-02-9.82240119E-06+1.53453641E-09-8.94178441E-14 2
+-2.99457263E+04-1.04434731E+02-1.55556582E+00+9.34239086E-02-7.35777731E-05 3
++3.06853455E-08-5.27129458E-12-2.12144697E+04+3.43353231E+01 4
+HC6H13O2 H 13C 6O 2 G 300.00 5000.00 1392.00 1
++2.37102479E+01+2.91395292E-02-1.00597409E-05+1.57146927E-09-9.15628844E-14 2
+-2.73396885E+04-9.88366817E+01-5.61462407E-01+8.71883025E-02-6.44783024E-05 3
++2.53831095E-08-4.17008314E-12-1.89538664E+04+3.11923351E+01 4
+FC6H13O2H H 14C 6O 2 G 300.00 5000.00 1393.00 1
++2.61780187E+01+2.92966710E-02-1.01449987E-05+1.58819921E-09-9.26814265E-14 2
+-4.52565509E+04-1.12068421E+02-1.54811668E+00+9.61342900E-02-7.28115900E-05 3
++2.87722241E-08-4.67586340E-12-3.57994117E+04+3.61639856E+01 4
+GC6H13O2H H 14C 6O 2 G 300.00 5000.00 1395.00 1
++2.70339581E+01+2.86177672E-02-9.92190554E-06+1.55456810E-09-9.07725944E-14 2
+-4.79055155E+04-1.19056991E+02-2.64665027E+00+1.02572555E-01-8.19250167E-05 3
++3.39948331E-08-5.75016084E-12-3.80376188E+04+3.87456910E+01 4
+HC6H13O2H H 14C 6O 2 G 300.00 5000.00 1393.00 1
++2.61780187E+01+2.92966710E-02-1.01449987E-05+1.58819921E-09-9.26814265E-14 2
+-4.52565509E+04-1.13165553E+02-1.54811668E+00+9.61342900E-02-7.28115900E-05 3
++2.87722241E-08-4.67586340E-12-3.57994117E+04+3.50668542E+01 4
+FC6H13O H 13C 6O 1 G 300.00 5000.00 1398.00 1
++2.19506802E+01+2.78807846E-02-9.49093306E-06+1.46903638E-09-8.50580133E-14 2
+-2.56026061E+04-9.14107485E+01-3.49617824E+00+8.95274691E-02-6.70020157E-05 3
++2.60162991E-08-4.11801184E-12-1.70244357E+04+4.44082731E+01 4
+GC6H13O H 13C 6O 1 G 300.00 5000.00 1401.00 1
++2.22747766E+01+2.78536708E-02-9.53253346E-06+1.48052850E-09-8.59198553E-14 2
+-2.78595936E+04-9.52702910E+01-3.65643661E+00+9.24742447E-02-7.21714167E-05 3
++2.94468055E-08-4.90302426E-12-1.92676625E+04+4.25451451E+01 4
+HC6H13O H 13C 6O 1 G 300.00 5000.00 1398.00 1
++2.19506802E+01+2.78807846E-02-9.49093306E-06+1.46903638E-09-8.50580133E-14 2
+-2.56026061E+04-9.25078799E+01-3.49617824E+00+8.95274691E-02-6.70020157E-05 3
++2.60162991E-08-4.11801184E-12-1.70244357E+04+4.33111417E+01 4
+FC6H12OOH-F H 13C 6O 2 G 300.00 5000.00 1395.00 1
++2.52922337E+01+2.77042620E-02-9.54577539E-06+1.48939008E-09-8.67122763E-14 2
+-1.99561911E+04-1.04223594E+02-9.24323257E-01+9.23866483E-02-7.18599509E-05 3
++2.92825851E-08-4.89291230E-12-1.11678466E+04+3.54020321E+01 4
+FC6H12OOH-G H 13C 6O 2 G 300.00 5000.00 1388.00 1
++2.57676821E+01+2.62258001E-02-8.82270792E-06+1.35621249E-09-7.81931437E-14 2
+-2.15187960E+04-1.06366255E+02-8.40507959E-01+8.86249115E-02-6.40314147E-05 3
++2.32545792E-08-3.36436618E-12-1.24172814E+04+3.62616670E+01 4
+FC6H12OOH-H H 13C 6O 2 G 300.00 5000.00 1395.00 1
++2.52922337E+01+2.77042620E-02-9.54577539E-06+1.48939008E-09-8.67122763E-14 2
+-1.99561911E+04-1.04223594E+02-9.24323257E-01+9.23866483E-02-7.18599509E-05 3
++2.92825851E-08-4.89291230E-12-1.11678466E+04+3.54020321E+01 4
+GC6H12OOH-F H 13C 6O 2 G 300.00 5000.00 1397.00 1
++2.61512785E+01+2.70552398E-02-9.33998320E-06+1.45917190E-09-8.50304926E-14 2
+-2.26063259E+04-1.10138274E+02-1.72891922E+00+9.76204170E-02-7.92048197E-05 3
++3.34324323E-08-5.73579333E-12-1.34537694E+04+3.76906323E+01 4
+GC6H12OOH-H H 13C 6O 2 G 300.00 5000.00 1397.00 1
++2.61512785E+01+2.70552398E-02-9.33998320E-06+1.45917190E-09-8.50304926E-14 2
+-2.26063259E+04-1.11235406E+02-1.72891922E+00+9.76204170E-02-7.92048197E-05 3
++3.34324323E-08-5.73579333E-12-1.34537694E+04+3.65935010E+01 4
+HC6H12OOH-F H 13C 6O 2 G 300.00 5000.00 1393.00 1
++2.57548319E+01+2.71643102E-02-9.42176702E-06+1.47658143E-09-8.62334695E-14 2
+-2.01908878E+04-1.06940027E+02-7.73398133E-01+9.15430265E-02-7.02673913E-05 3
++2.80955433E-08-4.61063869E-12-1.11872062E+04+3.47327927E+01 4
+HC6H12OOH-G H 13C 6O 2 G 300.00 5000.00 1387.00 1
++2.59299895E+01+2.61680725E-02-8.90578623E-06+1.37926008E-09-7.99236377E-14 2
+-2.16345167E+04-1.08495716E+02-7.73208347E-01+8.82744110E-02-6.34256303E-05 3
++2.28594199E-08-3.28719066E-12-1.24263757E+04+3.48620048E+01 4
+FC6H12OOH-FO2 H 13C 6O 4 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+FC6H12OOH-GO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.27213422E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.44166306E+01 4
+FC6H12OOH-HO2 H 13C 6O 4 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+GC6H12OOH-FO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.27213422E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.44166306E+01 4
+GC6H12OOH-HO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.28310554E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.33194992E+01 4
+HC6H12OOH-FO2 H 13C 6O 4 G 300.00 5000.00 1390.00 1
++2.95869436E+01+2.88579139E-02-1.00684244E-05+1.58411517E-09-9.27645064E-14 2
+-3.93685741E+04-1.23039430E+02+5.36907252E-01+1.00675980E-01-8.01053237E-05 3
++3.35042189E-08-5.76745163E-12-2.95718513E+04+3.17502699E+01 4
+HC6H12OOH-GO2 H 13C 6O 4 G 300.00 5000.00 1392.00 1
++3.02838041E+01+2.82247393E-02-9.84085526E-06+1.54763899E-09-9.06019981E-14 2
+-4.19066863E+04-1.28310554E+02-2.05506240E-01+1.05828378E-01-8.78193981E-05 3
++3.80303627E-08-6.70677990E-12-3.18701333E+04+3.33194992E+01 4
+F-FC6H12O C 6H 12O 1 G 300.00 5000.00 1382.00 1
++2.13606068E+01+2.67542440E-02-9.13564452E-06+1.41838522E-09-8.23439338E-14 2
+-3.03537290E+04-9.34602434E+01-5.17796040E+00+8.84596282E-02-6.39932049E-05 3
++2.36822771E-08-3.57224758E-12-2.11228410E+04+4.91517984E+01 4
+F-GC6H12O C 6H 12O 1 G 300.00 5000.00 1385.00 1
++2.19623594E+01+2.62358857E-02-8.95513764E-06+1.39002454E-09-8.06848444E-14 2
+-3.27028757E+04-9.70643786E+01-5.82300835E+00+9.33632895E-02-7.17044682E-05 3
++2.84038503E-08-4.58865464E-12-2.32884902E+04+5.13560020E+01 4
+F-HC6H12O C 6H 12O 1 G 300.00 5000.00 1387.00 1
++1.94772949E+01+2.91330961E-02-1.00192785E-05+1.56171623E-09-9.08729403E-14 2
+-4.00595084E+04-8.34254062E+01-6.61045443E+00+9.07933989E-02-6.66326370E-05 3
++2.56589087E-08-4.09582804E-12-3.10163489E+04+5.65223679E+01 4
+G-HC6H12O C 6H 12O 1 G 300.00 5000.00 1394.00 1
++2.14800220E+01+2.67940165E-02-9.25261115E-06+1.44571833E-09-8.42514010E-14 2
+-3.17561526E+04-9.36825135E+01-4.91627107E+00+9.49026173E-02-7.87767510E-05 3
++3.44682832E-08-6.14848032E-12-2.31482365E+04+4.59393130E+01 4
+NEOC6KETFF C 6H 12O 3 G 300.00 5000.00 1392.00 1
++2.72727672E+01+2.60688207E-02-9.08873182E-06+1.42942655E-09-8.36881939E-14 2
+-5.44834095E+04-1.13122106E+02-4.71979044E-01+9.28529398E-02-7.12975423E-05 3
++2.81125362E-08-4.51809303E-12-4.50454468E+04+3.51866878E+01 4
+NEOC6KETFG C 6H 12O 3 G 300.00 5000.00 1394.00 1
++2.81044778E+01+2.54001164E-02-8.86679190E-06+1.39572362E-09-8.17648161E-14 2
+-5.71123144E+04-1.18848431E+02-1.32156732E+00+9.82848291E-02-7.90144458E-05 3
++3.25064227E-08-5.41428630E-12-4.73239311E+04+3.76920843E+01 4
+NEOC6KETFH C 6H 12O 3 G 300.00 5000.00 1392.00 1
++2.72727672E+01+2.60688207E-02-9.08873182E-06+1.42942655E-09-8.36881939E-14 2
+-5.44834095E+04-1.13811588E+02-4.71979044E-01+9.28529398E-02-7.12975423E-05 3
++2.81125362E-08-4.51809303E-12-4.50454468E+04+3.44972062E+01 4
+NEOC6KETGF C 6H 12O 3 G 300.00 5000.00 1390.00 1
++2.69796423E+01+2.64361312E-02-9.24205406E-06+1.45616518E-09-8.53596902E-14 2
+-5.82452596E+04-1.12950519E+02-1.02131420E+00+9.33223611E-02-7.10872356E-05 3
++2.78235100E-08-4.44983402E-12-4.86532168E+04+3.69366766E+01 4
+NEOC6KETGH C 6H 12O 3 G 300.00 5000.00 1387.00 1
++2.68298718E+01+2.65743988E-02-9.29166512E-06+1.46406502E-09-8.58245747E-14 2
+-5.81942079E+04-1.12224196E+02+8.68698184E-01+8.73553612E-02-6.44754197E-05 3
++2.46810718E-08-3.90390558E-12-4.91297898E+04+2.72623041E+01 4
+NEOC6KETHF C 6H 12O 3 G 300.00 5000.00 1390.00 1
++2.69735434E+01+2.62533275E-02-9.13571109E-06+1.43492261E-09-8.39306598E-14 2
+-5.47961402E+04-1.11827333E+02+7.03565713E-01+9.02925836E-02-7.02592307E-05 3
++2.85722308E-08-4.77942427E-12-4.58809214E+04+2.84124478E+01 4
+NEOC6KETHG C 6H 12O 3 G 300.00 5000.00 1394.00 1
++2.81523897E+01+2.53352436E-02-8.83843442E-06+1.39062394E-09-8.14390345E-14 2
+-5.71374512E+04-1.19922325E+02-1.99397589E+00+1.02364749E-01-8.59063234E-05 3
++3.70316851E-08-6.44216262E-12-4.73177857E+04+3.96591886E+01 4
+NEOC6H12OH H 13C 6O 1 G 300.00 5000.00 1389.00 1
++2.24527821E+01+2.60793463E-02-8.68394492E-06+1.32560431E-09-7.60559598E-14 2
+-2.84231560E+04-9.18021258E+01-1.52567590E+00+8.02031847E-02-5.36232361E-05 3
++1.74712659E-08-2.16209092E-12-2.00526370E+04+3.74059561E+01 4
+NEOO2C6H12OH H 13C 6O 3 G 300.00 5000.00 1401.00 1
++2.55026585E+01+2.90372103E-02-9.86973534E-06+1.52576748E-09-8.82548203E-14 2
+-4.80167362E+04-1.03855843E+02+2.36309936E-01+9.25300019E-02-7.21544886E-05 3
++2.97296527E-08-5.01780844E-12-3.96815433E+04+3.02656735E+01 4
+TC4H9CHO C 5O 1H 10 G 300.00 5000.00 1396.00 1
++1.84056359E+01+2.15282423E-02-7.38655530E-06+1.14941999E-09-6.68003745E-14 2
+-3.84092887E+04-7.49886911E+01-1.75588233E+00+6.88741216E-02-4.97161071E-05 3
++1.82921650E-08-2.72056934E-12-3.14740629E+04+3.31334480E+01 4
+TC4H9CO C 5H 9O 1 G 300.00 5000.00 1397.00 1
++1.79864364E+01+1.94014364E-02-6.66715870E-06+1.03859646E-09-6.04064572E-14 2
+-1.94463168E+04-7.10669249E+01-9.77833363E-01+6.40573484E-02-4.66408868E-05 3
++1.72142682E-08-2.55681305E-12-1.29463546E+04+3.05727393E+01 4
+NEOC5H11CHO C 6H 12O 1 G 300.00 5000.00 1389.00 1
++2.18201927E+01+2.52377174E-02-8.54143105E-06+1.31748241E-09-7.61162071E-14 2
+-4.30014287E+04-9.04886577E+01-8.55055790E-01+7.84141706E-02-5.61118726E-05 3
++2.06552815E-08-3.09316611E-12-3.51846120E+04+3.11579584E+01 4
+NEOC5H11CO H 11C 6O 1 G 300.00 5000.00 1389.00 1
++2.14212795E+01+2.30660325E-02-7.80141198E-06+1.20297700E-09-6.94913508E-14 2
+-2.40435967E+04-8.66726580E+01-7.52080307E-02+7.36039955E-02-5.30639735E-05 3
++1.95915376E-08-2.93137730E-12-1.66575190E+04+2.85861268E+01 4
+TC4H9CHCHO H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.14752890E+01+2.36014241E-02-8.10397528E-06+1.26166539E-09-7.33474247E-14 2
+-2.27119417E+04-8.90752242E+01-1.31262503E+00+7.86201120E-02-5.92909129E-05 3
++2.30755955E-08-3.65696322E-12-1.50035752E+04+3.26318784E+01 4
+TC4H8CH2CHO H 11C 6O 1 G 300.00 5000.00 1389.00 1
++2.14180044E+01+2.30596274E-02-7.79730044E-06+1.20214639E-09-6.94356131E-14 2
+-1.79408139E+04-8.54690188E+01-6.56574366E-02+7.37823389E-02-5.35327810E-05 3
++1.99576223E-08-3.02272389E-12-1.05752494E+04+2.96538454E+01 4
+IC4H7CHO C 5H 8O 1 G 300.00 5000.00 1389.00 1
++1.54855457E+01+1.95046502E-02-6.72217668E-06+1.04894682E-09-6.10722450E-14 2
+-2.09191675E+04-5.37964397E+01+7.35614389E-01+5.25913841E-02-3.51785603E-05 3
++1.23024544E-08-1.79751073E-12-1.56061967E+04+2.59957375E+01 4
+IC4H7CO C 5H 7O 1 G 300.00 5000.00 1389.00 1
++1.50719878E+01+1.73699154E-02-5.99945908E-06+9.37552201E-10-5.46431990E-14 2
+-1.95861047E+03-4.99069151E+01+1.51384222E+00+4.77704979E-02-3.20899057E-05 3
++1.12121124E-08-1.63036012E-12+2.92154531E+03+2.34347421E+01 4
+AC3H4CH2CHO C 5H 7O 1 G 300.00 5000.00 1390.00 1
++1.64194720E+01+1.64616603E-02-5.73985444E-06+9.02736216E-10-5.28504586E-14 2
+-2.92593174E+03-5.92282775E+01-1.83421579E-01+5.69425872E-02-4.44368280E-05 3
++1.81316803E-08-3.04488510E-12+2.71337433E+03+2.94114305E+01 4
+IC3H5CHCHO C 5H 7O 1 G 300.00 5000.00 1384.00 1
++1.55879026E+01+1.72145243E-02-6.01031631E-06+9.46110380E-10-5.54239488E-14 2
+-4.07176338E+03-5.58106280E+01+4.50097887E-01+5.06462097E-02-3.39761191E-05 3
++1.15595445E-08-1.60919494E-12+1.41572991E+03+2.62377323E+01 4
+IC5H11CHO-B C 6H 12O 1 G 300.00 5000.00 1396.00 1
++2.15744130E+01+2.60224049E-02-8.92999252E-06+1.38968429E-09-8.07654716E-14 2
+-4.25078380E+04-8.94841933E+01-1.95086598E+00+8.09362173E-02-5.77563918E-05 3
++2.10785001E-08-3.12058559E-12-3.43674601E+04+3.68195576E+01 4
+IC5H11CO-B H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.11552282E+01+2.38954402E-02-8.21051273E-06+1.27884511E-09-7.43705452E-14 2
+-2.35448009E+04-8.55623232E+01-1.17119594E+00+7.61129814E-02-5.46721040E-05 3
++1.99951316E-08-2.95563643E-12-1.58400178E+04+3.42511825E+01 4
+IC5H10CHO-BA H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.10828109E+01+2.39475767E-02-8.22615238E-06+1.28102048E-09-7.44857694E-14 2
+-1.74086872E+04-8.39476135E+01-1.09037068E+00+7.60101055E-02-5.48702030E-05 3
++2.02628794E-08-3.03569892E-12-9.76870215E+03+3.49854667E+01 4
+IC5H10CHO-BC H 11C 6O 1 G 300.00 5000.00 1384.00 1
++2.14679298E+01+2.27371253E-02-7.63568527E-06+1.17255087E-09-6.75621859E-14 2
+-1.89598128E+04-8.56463855E+01-8.06006524E-01+7.13874348E-02-4.57221361E-05 3
++1.34800661E-08-1.35739169E-12-1.10499018E+04+3.49068663E+01 4
+IC5H10CHO-BD H 11C 6O 1 G 300.00 5000.00 1396.00 1
++2.10828109E+01+2.39475767E-02-8.22615238E-06+1.28102048E-09-7.44857694E-14 2
+-1.74086872E+04-8.39476135E+01-1.09037068E+00+7.60101055E-02-5.48702030E-05 3
++2.02628794E-08-3.03569892E-12-9.76870215E+03+3.49854667E+01 4
+C4H7CHO1-2 C 5H 8O 1 G 300.00 5000.00 1396.00 1
++1.70314021E+01+1.79985814E-02-6.16116444E-06+9.57152360E-10-5.55594577E-14 2
+-2.41225113E+04-6.41440981E+01-6.61811876E-01+6.32800894E-02-5.16238022E-05 3
++2.20783756E-08-3.84261100E-12-1.83560139E+04+2.95070519E+01 4
+C4H7CO1-2 C 5H 7O 1 G 300.00 5000.00 1397.00 1
++1.64651768E+01+1.59062251E-02-5.43230323E-06+8.42521096E-10-4.88461570E-14 2
+-7.98516509E+03-6.03394256E+01+5.78897418E-01+5.84282121E-02-5.03642354E-05 3
++2.27849982E-08-4.15814487E-12-2.97157417E+03+2.31234279E+01 4
+C4H6CHO1-23 C 5H 7O 1 G 300.00 5000.00 1393.00 1
++1.70700605E+01+1.58429731E-02-5.51236151E-06+8.65805032E-10-5.06440128E-14 2
+-7.26250822E+03-6.58289198E+01-9.31628556E-01+6.12341022E-02-5.02868148E-05 3
++2.13004977E-08-3.65759355E-12-1.33540534E+03+2.96839881E+01 4
+C4H6CHO1-24 C 5H 7O 1 G 300.00 5000.00 1396.00 1
++1.65787886E+01+1.59193750E-02-5.46203212E-06+8.49860281E-10-4.93850669E-14 2
++9.53024381E+02-5.88586589E+01+1.38121554E-01+5.86072858E-02-4.90075315E-05 3
++2.13914653E-08-3.78147426E-12+6.25168344E+03+2.79483683E+01 4
+C4H7CHO2-2 C 5H 8O 1 G 300.00 5000.00 1373.00 1
++1.85742205E+01+1.76938836E-02-6.28424851E-06+1.00058128E-09-5.90822128E-14 2
+-2.83855697E+04-6.41544390E+01+6.15935992E-01+5.51334615E-02-3.47129984E-05 3
++1.02579326E-08-1.13256581E-12-2.16677843E+04+3.39479618E+01 4
+C4H7CO2-2 C 5H 7O 1 G 300.00 5000.00 1374.00 1
++1.80523043E+01+1.55168113E-02-5.51619574E-06+8.78829645E-10-5.19148464E-14 2
+-1.22598579E+04-6.05879823E+01+1.78033270E+00+5.05901427E-02-3.38410622E-05 3
++1.11462050E-08-1.47665417E-12-6.27122730E+03+2.79228200E+01 4
+C4H6CHO2-21 C 5H 7O 1 G 300.00 5000.00 1375.00 1
++2.00498672E+01+1.39851005E-02-5.02791277E-06+8.07075446E-10-4.79266025E-14 2
+-1.05938864E+04-7.26722565E+01-7.65559619E-01+6.09311778E-02-4.44935207E-05 3
++1.54896947E-08-2.08729427E-12-3.26896739E+03+3.96002309E+01 4
+C4H6CHO2-24 C 5H 7O 1 G 300.00 5000.00 1375.00 1
++2.00498672E+01+1.39851005E-02-5.02791277E-06+8.07075446E-10-4.79266025E-14 2
+-1.05938864E+04-7.26722565E+01-7.65559619E-01+6.09311778E-02-4.44935207E-05 3
++1.54896947E-08-2.08729427E-12-3.26896739E+03+3.96002309E+01 4
+TC4H9COCH3 C 6H 12O 1 G 300.00 5000.00 1393.00 1
++2.11627268E+01+2.65726365E-02-9.16335571E-06+1.43058385E-09-8.33259468E-14 2
+-4.62269052E+04-8.79567628E+01-2.35641565E+00+8.09105638E-02-5.70901384E-05 3
++2.06789814E-08-3.05872867E-12-3.79999022E+04+3.85681263E+01 4
+TC4H9COCH2 H 11C 6O 1 G 300.00 5000.00 1395.00 1
++2.17668106E+01+2.36161495E-02-8.16684421E-06+1.27747930E-09-7.45104835E-14 2
+-2.48661491E+04-9.17111915E+01-2.76756040E+00+8.39187118E-02-6.56654850E-05 3
++2.65177439E-08-4.35600571E-12-1.66578112E+04+3.89719794E+01 4
+TC4H8COCH3 H 11C 6O 1 G 300.00 5000.00 1393.00 1
++2.07384786E+01+2.44442931E-02-8.44209095E-06+1.31932525E-09-7.69007570E-14 2
+-2.11608509E+04-8.28281002E+01-1.56934402E+00+7.62576905E-02-5.44391068E-05 3
++1.99294063E-08-2.97631443E-12-1.33894493E+04+3.70757484E+01 4
+CH2CCHO H 3O 1C 3 G 300.00 5000.00 1390.00 1
++9.78111516E+00+7.50969243E-03-2.61556340E-06+4.11046955E-10-2.40514603E-14 2
++1.42055163E+04-2.50656489E+01+1.99806192E+00+2.72342740E-02-2.24050331E-05 3
++9.68257238E-09-1.71138082E-12+1.67830831E+04+1.62359919E+01 4
+IC3H6CHCHO C 5H 8O 1 G 300.00 5000.00 1390.00 1
++1.63675823E+01+1.87451250E-02-6.45819146E-06+1.00755791E-09-5.86556682E-14 2
+-2.62213524E+04-6.09272424E+01+9.93060772E-01+5.49646074E-02-3.97614860E-05 3
++1.52758656E-08-2.45467180E-12-2.08566834E+04+2.16296532E+01 4
+IC3H6CHCO C 5H 7O 1 G 300.00 5000.00 1391.00 1
++1.58085413E+01+1.66403790E-02-5.72382460E-06+8.91951253E-10-5.18812580E-14 2
+-1.00869837E+04-5.71631569E+01+2.23189681E+00+5.01107112E-02-3.84870329E-05 3
++1.59662893E-08-2.76546877E-12-5.47169716E+03+1.52567763E+01 4
+AC3H5CHCHO C 5H 7O 1 G 300.00 5000.00 1390.00 1
++1.72875644E+01+1.57675234E-02-5.51022766E-06+8.67936068E-10-5.08670021E-14 2
+-8.24598860E+03-6.63266554E+01+1.73821731E-01+5.86562259E-02-4.78711610E-05 3
++2.03690778E-08-3.54093615E-12-2.54631956E+03+2.46335643E+01 4
+AC5H9-A1 C 5H 9 G 300.00 5000.00 1392.00 1
++1.44275954E+01+2.01413496E-02-6.88263565E-06+1.06773206E-09-6.19095750E-14 2
++1.83186525E+04-5.04444624E+01+6.77646626E-01+5.16740674E-02-3.50126996E-05 3
++1.27627348E-08-1.97452225E-12+2.32215852E+04+2.37248103E+01 4
+NEOC7H16 H 16C 7 G 300.00 5000.00 1397.00 1
++2.39323172E+01+3.31782362E-02-1.12668494E-05+1.74099807E-09-1.00684665E-13 2
+-3.74498789E+04-1.05938832E+02-3.45771037E+00+9.72014646E-02-6.83249164E-05 3
++2.48220102E-08-3.67746004E-12-2.79771408E+04+4.10888515E+01 4
+NC7H15 H 15C 7 G 300.00 5000.00 1397.00 1
++2.35128171E+01+3.10371540E-02-1.05393955E-05+1.62859656E-09-9.41860827E-14 2
+-1.23839746E+04-9.97354960E+01-2.68778642E+00+9.26426584E-02-6.58335470E-05 3
++2.41758097E-08-3.61820834E-12-3.36453908E+03+4.07694885E+01 4
+OC7H15 H 15C 7 G 300.00 5000.00 1390.00 1
++2.33667406E+01+3.07319555E-02-1.03508107E-05+1.59137519E-09-9.17310563E-14 2
+-1.37695377E+04-9.96212012E+01-2.19681832E+00+8.73134079E-02-5.63690703E-05 3
++1.77635552E-08-2.12899352E-12-4.67937082E+03+3.86153467E+01 4
+PC7H15 H 15C 7 G 300.00 5000.00 1390.00 1
++2.33667406E+01+3.07319555E-02-1.03508107E-05+1.59137519E-09-9.17310563E-14 2
+-1.37695377E+04-9.96212012E+01-2.19681832E+00+8.73134079E-02-5.63690703E-05 3
++1.77635552E-08-2.12899352E-12-4.67937082E+03+3.86153467E+01 4
+QC7H15 H 15C 7 G 300.00 5000.00 1397.00 1
++2.35128171E+01+3.10371540E-02-1.05393955E-05+1.62859656E-09-9.41860827E-14 2
+-1.23839746E+04-1.00832627E+02-2.68778642E+00+9.26426584E-02-6.58335470E-05 3
++2.41758097E-08-3.61820834E-12-3.36453908E+03+3.96723571E+01 4
+OC7H14 H 14C 7 G 300.00 5000.00 1395.00 1
++2.24887015E+01+2.96738400E-02-1.00479879E-05+1.54993215E-09-8.95338318E-14 2
+-2.23998822E+04-9.74394979E+01-3.31532000E+00+9.05539714E-02-6.48360116E-05 3
++2.39274057E-08-3.58919418E-12-1.35509173E+04+4.08439338E+01 4
+PC7H14 H 14C 7 G 300.00 5000.00 1398.00 1
++2.28180567E+01+2.94777078E-02-9.99646834E-06+1.54338994E-09-8.92080381E-14 2
+-2.15138751E+04-9.88510108E+01-3.81851414E+00+9.39380534E-02-6.99390936E-05 3
++2.69897745E-08-4.23959224E-12-1.25406477E+04+4.33207277E+01 4
+OC7H13-N H 13C 7 G 300.00 5000.00 1395.00 1
++2.20750395E+01+2.75256463E-02-9.31780257E-06+1.43709007E-09-8.30094636E-14 2
++2.62318023E+03-9.12695756E+01-2.54216855E+00+8.59862780E-02-6.23331815E-05 3
++2.32747106E-08-3.52870696E-12+1.10207665E+04+4.05083770E+01 4
+PC7H13-N H 13C 7 G 300.00 5000.00 1399.00 1
++2.24002497E+01+2.73317458E-02-9.26655367E-06+1.43052195E-09-8.26789137E-14 2
++3.51247952E+03-9.26502255E+01-3.09705753E+00+8.95950899E-02-6.77627545E-05 3
++2.65306123E-08-4.21967399E-12+1.20389816E+04+4.32306185E+01 4
+PC7H13-O H 13C 7 G 300.00 5000.00 1399.00 1
++2.24239478E+01+2.77773712E-02-9.43034332E-06+1.45721528E-09-8.42812364E-14 2
+-4.46272573E+03-9.79639287E+01-4.14452445E+00+9.22987225E-02-6.95252835E-05 3
++2.69504089E-08-4.23040646E-12+4.44515847E+03+4.37314430E+01 4
+PC7H13O-O H 13O 1C 7 G 300.00 5000.00 1398.00 1
++2.70665020E+01+2.54409611E-02-8.53248547E-06+1.30919024E-09-7.53950497E-14 2
+-1.64143986E+04-1.18716143E+02-4.66019213E+00+1.04558207E-01-8.37076856E-05 3
++3.35735802E-08-5.34053845E-12-6.09495634E+03+4.95722813E+01 4
+NC7H15O2 H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.68728540E+01+3.36470348E-02-1.16095500E-05+1.81291039E-09-1.05603810E-13 2
+-3.14367980E+04-1.13299239E+02-7.28733137E-01+9.91363594E-02-7.23619912E-05 3
++2.80830549E-08-4.55317178E-12-2.18516784E+04+3.47483179E+01 4
+OC7H15O2 H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.77264744E+01+3.29353264E-02-1.13674121E-05+1.77549892E-09-1.03442100E-13 2
+-3.40651164E+04-1.19539251E+02-1.73310415E+00+1.05358715E-01-8.13190924E-05 3
++3.32489557E-08-5.61789246E-12-2.41096371E+04+3.75409119E+01 4
+PC7H15O2 H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.77264744E+01+3.29353264E-02-1.13674121E-05+1.77549892E-09-1.03442100E-13 2
+-3.40651164E+04-1.19539251E+02-1.73310415E+00+1.05358715E-01-8.13190924E-05 3
++3.32489557E-08-5.61789246E-12-2.41096371E+04+3.75409119E+01 4
+QC7H15O2 H 15O 2C 7 G 300.00 5000.00 1392.00 1
++2.68728540E+01+3.36470348E-02-1.16095500E-05+1.81291039E-09-1.05603810E-13 2
+-3.14367980E+04-1.14396370E+02-7.28733137E-01+9.91363594E-02-7.23619912E-05 3
++2.80830549E-08-4.55317178E-12-2.18516784E+04+3.36511866E+01 4
+NC7H15O2H H 16O 2C 7 G 300.00 5000.00 1393.00 1
++2.93521507E+01+3.37808675E-02-1.16838691E-05+1.82763853E-09-1.06594118E-13 2
+-4.93567184E+04-1.27690246E+02-1.75784767E+00+1.08260149E-01-8.09423379E-05 3
++3.16099898E-08-5.08629553E-12-3.86905437E+04+3.88215641E+01 4
+OC7H15O2H H 16O 2C 7 G 300.00 5000.00 1395.00 1
++3.02387000E+01+3.30982482E-02-1.14644388E-05+1.79509521E-09-1.04769542E-13 2
+-5.20241289E+04-1.34180355E+02-2.77503359E+00+1.14327505E-01-8.94180785E-05 3
++3.64099346E-08-6.06461062E-12-4.09413628E+04+4.17150529E+01 4
+PC7H15O2H H 16O 2C 7 G 300.00 5000.00 1395.00 1
++3.02387000E+01+3.30982482E-02-1.14644388E-05+1.79509521E-09-1.04769542E-13 2
+-5.20241289E+04-1.34180355E+02-2.77503359E+00+1.14327505E-01-8.94180785E-05 3
++3.64099346E-08-6.06461062E-12-4.09413628E+04+4.17150529E+01 4
+QC7H15O2H H 16O 2C 7 G 300.00 5000.00 1393.00 1
++2.93521507E+01+3.37808675E-02-1.16838691E-05+1.82763853E-09-1.06594118E-13 2
+-4.93567184E+04-1.28787377E+02-1.75784767E+00+1.08260149E-01-8.09423379E-05 3
++3.16099898E-08-5.08629553E-12-3.86905437E+04+3.77244327E+01 4
+NC7H15O H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.54093151E+01+3.21284629E-02-1.09485520E-05+1.69576547E-09-9.82275796E-14 2
+-2.96013576E+04-1.08338626E+02-2.77832151E+00+9.97392862E-02-7.33744577E-05 3
++2.80807810E-08-4.39620206E-12-2.00154366E+04+4.23755436E+01 4
+OC7H15O H 15O 1C 7 G 300.00 5000.00 1401.00 1
++2.60236775E+01+3.15366168E-02-1.07286791E-05+1.65979066E-09-9.60653992E-14 2
+-3.19294066E+04-1.13054460E+02-3.30243672E+00+1.04181670E-01-8.03713303E-05 3
++3.22855774E-08-5.28010335E-12-2.22019925E+04+4.29036712E+01 4
+PC7H15O H 15O 1C 7 G 300.00 5000.00 1401.00 1
++2.60236775E+01+3.15366168E-02-1.07286791E-05+1.65979066E-09-9.60653992E-14 2
+-3.19294066E+04-1.13054460E+02-3.30243672E+00+1.04181670E-01-8.03713303E-05 3
++3.22855774E-08-5.28010335E-12-2.22019925E+04+4.29036712E+01 4
+QC7H15O H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.54093151E+01+3.21284629E-02-1.09485520E-05+1.69576547E-09-9.82275796E-14 2
+-2.96013576E+04-1.09435758E+02-2.77832151E+00+9.97392862E-02-7.33744577E-05 3
++2.80807810E-08-4.39620206E-12-2.00154366E+04+4.12784122E+01 4
+NC7H14OOH-N2 H 15O 2C 7 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+NC7H14OOH-Q H 15O 2C 7 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+QC7H14OOH-N H 15O 2C 7 G 300.00 5000.00 1393.00 1
++2.89171501E+01+3.16723699E-02-1.09718312E-05+1.71806871E-09-1.00277328E-13 2
+-2.42882354E+04-1.22498952E+02-9.49717609E-01+1.03525971E-01-7.81997530E-05 3
++3.08245665E-08-4.99999542E-12-1.40834955E+04+3.72347173E+01 4
+NC7H14OOH-O H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.22986116E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.90198621E+01 4
+NC7H14OOH-P H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.22986116E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.90198621E+01 4
+QC7H14OOH-O H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.24083247E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.79227307E+01 4
+QC7H14OOH-P H 15O 2C 7 G 300.00 5000.00 1388.00 1
++2.91005958E+01+3.06403148E-02-1.04364477E-05+1.61693646E-09-9.37125604E-14 2
+-2.57261776E+04-1.24083247E+02-1.07147024E+00+1.00827076E-01-7.22177585E-05 3
++2.61025935E-08-3.78449499E-12-1.53049993E+04+3.79227307E+01 4
+OC7H14OOH-N H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.27963837E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+4.09009382E+01 4
+OC7H14OOH-Q H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.29060969E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+3.98038069E+01 4
+PC7H14OOH-N H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.27963837E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+4.09009382E+01 4
+PC7H14OOH-Q H 15O 2C 7 G 300.00 5000.00 1395.00 1
++2.98207679E+01+3.09371545E-02-1.07259627E-05+1.68054551E-09-9.81286171E-14 2
+-2.69497222E+04-1.29060969E+02-1.90208236E+00+1.09393311E-01-8.64280982E-05 3
++3.54666523E-08-5.94024874E-12-1.63466426E+04+3.98038069E+01 4
+OC7H14OOH-P H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.92450713E+01+3.08880713E-02-1.05942735E-05+1.64837346E-09-9.57957646E-14 2
+-2.80619210E+04-1.25169499E+02-1.41799956E+00+1.04568281E-01-7.86140205E-05 3
++3.03404784E-08-4.75444343E-12-1.76696497E+04+3.86982849E+01 4
+PC7H14OOH-O H 15O 2C 7 G 300.00 5000.00 1394.00 1
++2.92450713E+01+3.08880713E-02-1.05942735E-05+1.64837346E-09-9.57957646E-14 2
+-2.80619210E+04-1.25169499E+02-1.41799956E+00+1.04568281E-01-7.86140205E-05 3
++3.03404784E-08-4.75444343E-12-1.76696497E+04+3.86982849E+01 4
+NC7H14OOH-N2O2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+NC7H14OOH-QO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+QC7H14OOH-NO2 H 15O 4C 7 G 300.00 5000.00 1390.00 1
++3.27461708E+01+3.33884014E-02-1.16304964E-05+1.82791282E-09-1.06960255E-13 2
+-4.34682340E+04-1.38590831E+02+2.71235932E-01+1.13087885E-01-8.87103508E-05 3
++3.66740334E-08-6.25873873E-12-3.24554462E+04+3.46595957E+01 4
+NC7H14OOH-OO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+NC7H14OOH-PO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+QC7H14OOH-OO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+QC7H14OOH-PO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+OC7H14OOH-NO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+OC7H14OOH-QO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+PC7H14OOH-NO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.43032276E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.72999360E+01 4
+PC7H14OOH-QO2 H 15O 4C 7 G 300.00 5000.00 1392.00 1
++3.34874008E+01+3.27205318E-02-1.13917470E-05+1.78978364E-09-1.04705549E-13 2
+-4.60293416E+04-1.44129407E+02-4.63316342E-01+1.18140575E-01-9.61320467E-05 3
++4.09554566E-08-7.13465436E-12-3.47537698E+04+3.62028046E+01 4
+OC7H14OOH-PO2 H 15O 4C 7 G 300.00 5000.00 1394.00 1
++3.41658876E+01+3.20899159E-02-1.11621899E-05+1.75269953E-09-1.02495642E-13 2
+-4.85525949E+04-1.48177080E+02-9.41322525E-01+1.22171301E-01-1.02238990E-04 3
++4.45090859E-08-7.86260380E-12-3.70934069E+04+3.76338478E+01 4
+PC7H14OOH-OO2 H 15O 4C 7 G 300.00 5000.00 1394.00 1
++3.41658876E+01+3.20899159E-02-1.11621899E-05+1.75269953E-09-1.02495642E-13 2
+-4.85525949E+04-1.48177080E+02-9.41322525E-01+1.22171301E-01-1.02238990E-04 3
++4.45090859E-08-7.86260380E-12-3.70934069E+04+3.76338478E+01 4
+N-NC7H14O H 14O 1C 7 G 300.00 5000.00 1400.00 1
++2.39600679E+01+3.17081086E-02-1.08164227E-05+1.67667029E-09-9.71835390E-14 2
+-3.45659120E+04-1.04939163E+02-6.64556919E+00+1.05373799E-01-7.86000298E-05 3
++3.00019846E-08-4.62526286E-12-2.42440028E+04+5.85115505E+01 4
+N-OC7H14O H 14O 1C 7 G 300.00 5000.00 1403.00 1
++2.43151704E+01+3.16174221E-02-1.08281769E-05+1.68270448E-09-9.76960406E-14 2
+-3.68325348E+04-1.07182683E+02-6.88548949E+00+1.08579332E-01-8.40343676E-05 3
++3.35223797E-08-5.41637633E-12-2.64728135E+04+5.88227619E+01 4
+N-PC7H14O H 14O 1C 7 G 300.00 5000.00 1404.00 1
++2.37190457E+01+3.25359249E-02-1.11428469E-05+1.73164426E-09-1.00539964E-13 2
+-4.69289195E+04-1.05401457E+02-8.73257940E+00+1.12421736E-01-8.68300991E-05 3
++3.44618642E-08-5.52956293E-12-3.61505130E+04+6.72956667E+01 4
+N-QC7H14O H 14O 1C 7 G 300.00 5000.00 1397.00 1
++2.40542367E+01+3.28073531E-02-1.12698568E-05+1.75528559E-09-1.02081564E-13 2
+-4.72826253E+04-1.12376038E+02-9.12518292E+00+1.11346644E-01-8.19466828E-05 3
++3.04982244E-08-4.55784793E-12-3.59660844E+04+6.52806220E+01 4
+O-PC7H14O H 14O 1C 7 G 300.00 5000.00 1398.00 1
++2.61457730E+01+3.00656365E-02-1.03865590E-05+1.62345095E-09-9.46351931E-14 2
+-3.86506110E+04-1.17342428E+02-7.26493374E+00+1.17328751E-01-9.97836089E-05 3
++4.38867593E-08-7.77582618E-12-2.79523946E+04+5.88532585E+01 4
+O-QC7H14O H 14O 1C 7 G 300.00 5000.00 1403.00 1
++2.43151704E+01+3.16174221E-02-1.08281769E-05+1.68270448E-09-9.76960406E-14 2
+-3.68325348E+04-1.08279814E+02-6.88548949E+00+1.08579332E-01-8.40343676E-05 3
++3.35223797E-08-5.41637633E-12-2.64728135E+04+5.77256306E+01 4
+P-QC7H14O H 14O 1C 7 G 300.00 5000.00 1400.00 1
++2.50907857E+01+3.06905327E-02-1.05420446E-05+1.64145811E-09-9.54300621E-14 2
+-3.60399349E+04-1.10921777E+02-5.62328324E+00+1.07683674E-01-8.55683853E-05 3
++3.52779432E-08-5.90642018E-12-2.59233241E+04+5.21280458E+01 4
+NEOC7KETNN H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.04363674E+01+3.05740963E-02-1.06374577E-05+1.67066538E-09-9.77159817E-14 2
+-5.85808672E+04-1.28687459E+02-6.52899263E-01+1.04858118E-01-7.92632421E-05 3
++3.08611561E-08-4.91150022E-12-4.79410948E+04+3.77095134E+01 4
+NEOC7KETNO H 14O 3C 7 G 300.00 5000.00 1394.00 1
++3.13169138E+01+2.98796239E-02-1.04102037E-05+1.63651310E-09-9.57820698E-14 2
+-6.12367932E+04-1.34712826E+02-1.50295813E+00+1.10252951E-01-8.67924112E-05 3
++3.50861794E-08-5.76350539E-12-5.02191376E+04+4.02216997E+01 4
+NEOC7KETNP H 14O 3C 7 G 300.00 5000.00 1394.00 1
++3.13169138E+01+2.98796239E-02-1.04102037E-05+1.63651310E-09-9.57820698E-14 2
+-6.12367932E+04-1.34712826E+02-1.50295813E+00+1.10252951E-01-8.67924112E-05 3
++3.50861794E-08-5.76350539E-12-5.02191376E+04+4.02216997E+01 4
+NEOC7KETNQ H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.04363674E+01+3.05740963E-02-1.06374577E-05+1.67066538E-09-9.77159817E-14 2
+-5.85808672E+04-1.29376940E+02-6.52899263E-01+1.04858118E-01-7.92632421E-05 3
++3.08611561E-08-4.91150022E-12-4.79410948E+04+3.70200318E+01 4
+NEOC7KETON H 14O 3C 7 G 300.00 5000.00 1389.00 1
++3.00066367E+01+3.10290360E-02-1.08137527E-05+1.70015598E-09-9.95114830E-14 2
+-6.23640317E+04-1.27368194E+02-7.58791231E-01+1.05656987E-01-8.17393925E-05 3
++3.30983517E-08-5.52539152E-12-5.18729316E+04+3.70237395E+01 4
+NEOC7KETOP H 14O 3C 7 G 300.00 5000.00 1393.00 1
++3.12785929E+01+3.00300393E-02-1.04882218E-05+1.65141609E-09-9.67601581E-14 2
+-6.47357356E+04-1.35991140E+02-3.94519008E+00+1.20144570E-01-1.01041263E-04 3
++4.38155686E-08-7.68280619E-12-5.32433395E+04+5.04791088E+01 4
+NEOC7KETOQ H 14O 3C 7 G 300.00 5000.00 1389.00 1
++3.00066367E+01+3.10290360E-02-1.08137527E-05+1.70015598E-09-9.95114830E-14 2
+-6.23640317E+04-1.28465326E+02-7.58791231E-01+1.05656987E-01-8.17393925E-05 3
++3.30983517E-08-5.52539152E-12-5.18729316E+04+3.59266082E+01 4
+NEOC7KETPN H 14O 3C 7 G 300.00 5000.00 1389.00 1
++2.98298481E+01+3.11235100E-02-1.08337221E-05+1.70193502E-09-9.95601835E-14 2
+-6.27049883E+04-1.26435085E+02+1.76054692E-01+1.01875835E-01-7.67132395E-05 3
++3.02332775E-08-4.92923263E-12-5.24755649E+04+3.24342096E+01 4
+NEOC7KETPO H 14O 3C 7 G 300.00 5000.00 1393.00 1
++3.10581541E+01+3.01730386E-02-1.05274448E-05+1.65646084E-09-9.70094959E-14 2
+-6.50681614E+04-1.34824216E+02-2.84703848E+00+1.15472318E-01-9.46242645E-05 3
++4.00848127E-08-6.89706377E-12-5.38657225E+04+4.51702654E+01 4
+NEOC7KETPQ H 14O 3C 7 G 300.00 5000.00 1386.00 1
++2.96622953E+01+3.13109805E-02-1.09077520E-05+1.71441381E-09-1.00322469E-13 2
+-6.25947525E+04-1.25627477E+02+2.01966983E+00+9.61029959E-02-7.04073402E-05 3
++2.73091890E-08-4.43801703E-12-5.28842448E+04+2.29780770E+01 4
+NEOC7KETQN H 14O 3C 7 G 300.00 5000.00 1390.00 1
++3.01443416E+01+3.07430133E-02-1.06770034E-05+1.67479029E-09-9.78701861E-14 2
+-5.88951869E+04-1.27430987E+02+4.93120773E-01+1.02416423E-01-7.83826197E-05 3
++3.14041406E-08-5.18834716E-12-4.87718048E+04+3.10744181E+01 4
+NEOC7KETQO H 14O 3C 7 G 300.00 5000.00 1392.00 1
++3.06826803E+01+3.03040962E-02-1.05291370E-05+1.65203675E-09-9.65572652E-14 2
+-6.13669869E+04-1.31781471E+02+2.36801917E-01+1.05582764E-01-8.35235844E-05 3
++3.45517069E-08-5.86070961E-12-5.11468769E+04+3.03635045E+01 4
+NEOC7KETQP H 14O 3C 7 G 300.00 5000.00 1394.00 1
++3.13039066E+01+2.98616170E-02-1.03968083E-05+1.63361345E-09-9.55785901E-14 2
+-6.12347357E+04-1.35428490E+02-2.15420388E+00+1.14230320E-01-9.36459269E-05 3
++3.96435491E-08-6.80697553E-12-5.02151388E+04+4.20968444E+01 4
+OC7H14OH H 15O 1C 7 G 300.00 5000.00 1397.00 1
++2.55348915E+01+3.09583295E-02-1.04138045E-05+1.59942150E-09-9.21207426E-14 2
+-3.45726057E+04-1.07043495E+02-2.21939081E+00+9.68557297E-02-6.98444794E-05 3
++2.57897333E-08-3.83913004E-12-2.51387156E+04+4.14730991E+01 4
+PC7H14OH H 15O 1C 7 G 300.00 5000.00 1388.00 1
++2.57545373E+01+3.02484467E-02-1.00728739E-05+1.53768192E-09-8.82256412E-14 2
+-3.25834547E+04-1.08073692E+02-1.73709867E+00+9.23353939E-02-6.17685161E-05 3
++2.02322741E-08-2.53496760E-12-2.29785135E+04+4.00725304E+01 4
+OO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1401.00 1
++2.95980400E+01+3.29031991E-02-1.12314204E-05+1.74128566E-09-1.00925258E-13 2
+-5.46609793E+04-1.25087278E+02-6.52879010E-01+1.09302940E-01-8.65393673E-05 3
++3.59824774E-08-6.10465262E-12-4.47271131E+04+3.53461160E+01 4
+PO2C7H14OH H 15O 3C 7 G 300.00 5000.00 1400.00 1
++2.86706009E+01+3.35327324E-02-1.14137700E-05+1.76613725E-09-1.02226516E-13 2
+-5.21500864E+04-1.19443511E+02+4.68558572E-02+1.04569768E-01-8.01634840E-05 3
++3.24976654E-08-5.41396284E-12-4.26110678E+04+3.28285675E+01 4
+IC8H18 C 8H 18 G 300.00 5000.00 1396.00 1
++2.71373590E+01+3.79004890E-02-1.29437358E-05+2.00760372E-09-1.16400580E-13 2
+-4.07958177E+04-1.23277495E+02-4.20868893E+00+1.11440581E-01-7.91346582E-05 3
++2.92406242E-08-4.43743191E-12-2.99446875E+04+4.49521701E+01 4
+AC8H17 C 8H 17 G 300.00 5000.00 1396.00 1
++2.67069782E+01+3.57660601E-02-1.22178704E-05+1.89536630E-09-1.09907843E-13 2
+-1.57229692E+04-1.17001113E+02-3.41944741E+00+1.06803189E-01-7.65411563E-05 3
++2.85341682E-08-4.36478649E-12-5.33514196E+03+4.45471727E+01 4
+BC8H17 C 8H 17 G 300.00 5000.00 1393.00 1
++2.64569179E+01+3.55420752E-02-1.20520984E-05+1.86089357E-09-1.07571894E-13 2
+-1.70392791E+04-1.16245511E+02-3.09104262E+00+1.02318896E-01-6.84858873E-05 3
++2.30183940E-08-3.07013080E-12-6.62829069E+03+4.31173932E+01 4
+CC8H17 C 8H 17 G 300.00 5000.00 1390.00 1
++2.51497158E+01+3.71096845E-02-1.26854483E-05+1.96873429E-09-1.14193894E-13 2
+-1.82761790E+04-1.09056834E+02-9.73159697E-02+8.92653724E-02-5.12873814E-05 3
++1.37640528E-08-1.27788396E-12-8.81147302E+03+2.89791898E+01 4
+DC8H17 C 8H 17 G 300.00 5000.00 1396.00 1
++2.67069782E+01+3.57660601E-02-1.22178704E-05+1.89536630E-09-1.09907843E-13 2
+-1.61255862E+04-1.18098245E+02-3.41944741E+00+1.06803189E-01-7.65411563E-05 3
++2.85341682E-08-4.36478649E-12-5.73775897E+03+4.34500414E+01 4
+IC8H16 H 16C 8 G 300.00 5000.00 1394.00 1
++2.56756746E+01+3.41801998E-02-1.16002952E-05+1.79195478E-09-1.03613002E-13 2
+-2.62458324E+04-1.13928273E+02-2.79610447E+00+1.00836172E-01-7.12250651E-05 3
++2.60659824E-08-3.90031814E-12-1.64002496E+04+3.88854068E+01 4
+JC8H16 H 16C 8 G 300.00 5000.00 1397.00 1
++2.60101527E+01+3.39703243E-02-1.15422451E-05+1.78422814E-09-1.03212200E-13 2
+-2.65174535E+04-1.15359195E+02-3.31862122E+00+1.04315305E-01-7.64763013E-05 3
++2.92169219E-08-4.56913862E-12-1.65448250E+04+4.14548253E+01 4
+IC8H15 C 8H 15 G 300.00 5000.00 1397.00 1
++2.60931337E+01+3.17629740E-02-1.07800358E-05+1.66534077E-09-9.62985504E-14 2
+-8.00312155E+03-1.15651475E+02-3.74987946E+00+1.05476476E-01-8.12781961E-05 3
++3.26271703E-08-5.33783606E-12+1.92249518E+03+4.31416185E+01 4
+AC8H17O2 C 8O 2H 17 G 300.00 5000.00 1393.00 1
++3.02815958E+01+3.78729072E-02-1.30468383E-05+2.03524213E-09-1.18471267E-13 2
+-3.48032462E+04-1.31647036E+02-1.78614072E+00+1.14754903E-01-8.50604719E-05 3
++3.34040935E-08-5.45173228E-12-2.37742056E+04+4.00275514E+01 4
+BC8H17O2 C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.09351615E+01+3.74102564E-02-1.29070970E-05+2.01544850E-09-1.17398911E-13 2
+-3.77457753E+04-1.36730800E+02-3.07002356E+00+1.22640438E-01-9.72202764E-05 3
++4.09127625E-08-7.09102547E-12-2.64014308E+04+4.40345691E+01 4
+CC8H17O2 C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.09721695E+01+3.73366082E-02-1.28724179E-05+2.00907464E-09-1.16989072E-13 2
+-3.79648855E+04-1.38456446E+02-1.80143766E+00+1.18030511E-01-9.10630966E-05 3
++3.73480361E-08-6.33999307E-12-2.68892049E+04+3.62716425E+01 4
+DC8H17O2 C 8O 2H 17 G 300.00 5000.00 1393.00 1
++3.02815958E+01+3.78729072E-02-1.30468383E-05+2.03524213E-09-1.18471267E-13 2
+-3.48032462E+04-1.32744167E+02-1.78614072E+00+1.14754903E-01-8.50604719E-05 3
++3.34040935E-08-5.45173228E-12-2.37742056E+04+3.89304200E+01 4
+AC8H17O2H C 8O 2H 18 G 300.00 5000.00 1394.00 1
++3.26877471E+01+3.81543348E-02-1.31904018E-05+2.06264164E-09-1.20273296E-13 2
+-5.27061157E+04-1.45649372E+02-2.60590167E+00+1.22975246E-01-9.23792422E-05 3
++3.62352036E-08-5.84914182E-12-4.06451692E+04+4.31271543E+01 4
+BC8H17O2H C 8O 2H 18 G 300.00 5000.00 1395.00 1
++3.33795839E+01+3.76075190E-02-1.30106507E-05+2.03549569E-09-1.18729187E-13 2
+-5.56606229E+04-1.50940682E+02-3.94136639E+00+1.31008751E-01-1.04675464E-04 3
++4.37713359E-08-7.48395636E-12-4.32624432E+04+4.73897591E+01 4
+CC8H17O2H C 8O 2H 18 G 300.00 5000.00 1394.00 1
++3.34492663E+01+3.74760859E-02-1.29495289E-05+2.02432718E-09-1.18013520E-13 2
+-5.58859437E+04-1.52839441E+02-2.84505394E+00+1.27200028E-01-9.97024841E-05 3
++4.09114072E-08-6.88149851E-12-4.37253252E+04+4.04161993E+01 4
+DC8H17O2H C 8O 2H 18 G 300.00 5000.00 1394.00 1
++3.26877471E+01+3.81543348E-02-1.31904018E-05+2.06264164E-09-1.20273296E-13 2
+-5.27061157E+04-1.46746504E+02-2.60590167E+00+1.22975246E-01-9.23792422E-05 3
++3.62352036E-08-5.84914182E-12-4.06451692E+04+4.20300230E+01 4
+AC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.88343933E+01+3.63403146E-02-1.23814095E-05+1.91748102E-09-1.11063219E-13 2
+-3.29777132E+04-1.26786653E+02-3.80491312E+00+1.15184609E-01-8.57614185E-05 3
++3.31877927E-08-5.24475393E-12-2.19418053E+04+4.75187920E+01 4
+BC8H17O C 8O 1H 17 G 300.00 5000.00 1400.00 1
++2.91996555E+01+3.62435016E-02-1.23916984E-05+1.92336095E-09-1.11569960E-13 2
+-3.52447658E+04-1.30181834E+02-3.96685353E+00+1.18150102E-01-9.09087627E-05 3
++3.65594900E-08-6.00779878E-12-2.41854516E+04+4.63436117E+01 4
+CC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.94459429E+01+3.59416431E-02-1.22687364E-05+1.90233593E-09-1.10275675E-13 2
+-3.65164717E+04-1.32704700E+02-3.83187637E+00+1.18581554E-01-9.20889748E-05 3
++3.74315233E-08-6.21723419E-12-2.54590182E+04+4.42631132E+01 4
+DC8H17O C 8O 1H 17 G 300.00 5000.00 1398.00 1
++2.88343933E+01+3.63403146E-02-1.23814095E-05+1.91748102E-09-1.11063219E-13 2
+-3.29777132E+04-1.27194302E+02-3.80491312E+00+1.15184609E-01-8.57614185E-05 3
++3.31877927E-08-5.24475393E-12-2.19418053E+04+4.71111423E+01 4
+AC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.80443391E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.64331259E+04+4.17717295E+01 4
+AC8H16OOH-B C 8O 2H 17 G 300.00 5000.00 1390.00 1
++3.25510943E+01+3.47986732E-02-1.18444590E-05+1.83415878E-09-1.06263255E-13 2
+-2.95119890E+04-1.41568260E+02-2.06912730E+00+1.16142139E-01-8.44026727E-05 3
++3.10689399E-08-4.59880303E-12-1.76383455E+04+4.40292848E+01 4
+AC8H16OOH-C C 8O 2H 17 G 300.00 5000.00 1389.00 1
++3.07262781E+01+3.73278652E-02-1.29171084E-05+2.02116922E-09-1.17905143E-13 2
+-2.98447203E+04-1.31584073E+02+1.37822561E+00+1.01363546E-01-6.53502993E-05 3
++2.12486815E-08-2.79452649E-12-1.91404617E+04+2.77383760E+01 4
+AC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.80443391E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.64331259E+04+4.17717295E+01 4
+BC8H16OOH-C C 8O 2H 17 G 300.00 5000.00 1390.00 1
++3.17641522E+01+3.64992527E-02-1.26438443E-05+1.97989245E-09-1.15559672E-13 2
+-3.25683115E+04-1.38935214E+02+4.50202986E-01+1.07139372E-01-7.31797889E-05 3
++2.55227551E-08-3.63601201E-12-2.14096422E+04+3.01864197E+01 4
+BC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1395.00 1
++3.29649795E+01+3.54521526E-02-1.22760697E-05+1.92175602E-09-1.12143669E-13 2
+-3.05966248E+04-1.44760131E+02-3.22207871E+00+1.26635635E-01-1.02426709E-04 3
++4.32557714E-08-7.44990097E-12-1.86411004E+04+4.73182493E+01 4
+BC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1395.00 1
++3.29649795E+01+3.54521526E-02-1.22760697E-05+1.92175602E-09-1.12143669E-13 2
+-3.05966248E+04-1.45857263E+02-3.22207871E+00+1.26635635E-01-1.02426709E-04 3
++4.32557714E-08-7.44990097E-12-1.86411004E+04+4.62211179E+01 4
+CC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.30252762E+01+3.53441853E-02-1.22263715E-05+1.91270947E-09-1.11565017E-13 2
+-3.08189254E+04-1.47704169E+02-2.05751270E+00+1.22565802E-01-9.71043924E-05 3
++4.02046214E-08-6.81002951E-12-1.91154529E+04+3.89226152E+01 4
+CC8H16OOH-B C 8O 2H 17 G 300.00 5000.00 1391.00 1
++3.31608087E+01+3.44400431E-02-1.17524342E-05+1.82282432E-09-1.05717658E-13 2
+-3.22520616E+04-1.47957290E+02-2.10615358E+00+1.19486353E-01-9.04973544E-05 3
++3.51127559E-08-5.51947072E-12-2.03466672E+04+4.03799994E+01 4
+CC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.30252762E+01+3.53441853E-02-1.22263715E-05+1.91270947E-09-1.11565017E-13 2
+-3.08189254E+04-1.46607038E+02-2.05751270E+00+1.22565802E-01-9.71043924E-05 3
++4.02046214E-08-6.81002951E-12-1.91154529E+04+4.00197465E+01 4
+DC8H16OOH-C C 8O 2H 17 G 300.00 5000.00 1389.00 1
++3.07262781E+01+3.73278652E-02-1.29171084E-05+2.02116922E-09-1.17905143E-13 2
+-2.94421033E+04-1.31986690E+02+1.37822561E+00+1.01363546E-01-6.53502993E-05 3
++2.12486815E-08-2.79452649E-12-1.87378447E+04+2.73357589E+01 4
+DC8H16OOH-D C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.76417221E+04-1.41668184E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.60305089E+04+4.06745981E+01 4
+DC8H16OOH-B C 8O 2H 17 G 300.00 5000.00 1390.00 1
++3.25510943E+01+3.47986732E-02-1.18444590E-05+1.83415878E-09-1.06263255E-13 2
+-2.91093720E+04-1.42665392E+02-2.06912730E+00+1.16142139E-01-8.44026727E-05 3
++3.10689399E-08-4.59880303E-12-1.72357285E+04+4.29321534E+01 4
+DC8H16OOH-A C 8O 2H 17 G 300.00 5000.00 1394.00 1
++3.22733666E+01+3.60035914E-02-1.24584643E-05+1.94942256E-09-1.13722419E-13 2
+-2.76417221E+04-1.40571052E+02-1.84900727E+00+1.18470376E-01-8.99609127E-05 3
++3.56283674E-08-5.79743151E-12-1.60305089E+04+4.17717295E+01 4
+IC8ETERAA H 16C 8O 1 G 300.00 5000.00 1402.00 1
++2.76609620E+01+3.54374921E-02-1.20270463E-05+1.85781053E-09-1.07416032E-13 2
+-3.72560156E+04-1.22979949E+02-5.82996279E+00+1.17708720E-01-8.97428356E-05 3
++3.53445608E-08-5.64033758E-12-2.61196792E+04+5.53022894E+01 4
+IC8ETERAB H 16C 8O 1 G 300.00 5000.00 1403.00 1
++2.76798014E+01+3.59323006E-02-1.23072657E-05+1.91269208E-09-1.11054254E-13 2
+-4.05912134E+04-1.25295695E+02-7.80049041E+00+1.23580877E-01-9.58621529E-05 3
++3.83545262E-08-6.21761428E-12-2.88197649E+04+6.34400053E+01 4
+IC8ETERAC H 16C 8O 1 G 300.00 5000.00 1401.00 1
++2.74247596E+01+3.63922171E-02-1.24291523E-05+1.92815283E-09-1.11818455E-13 2
+-5.27913842E+04-1.27246044E+02-9.59187284E+00+1.28236477E-01-1.00326484E-04 3
++4.03884956E-08-6.57333725E-12-4.05657072E+04+6.94955343E+01 4
+IC8ETERAD H 16C 8O 1 G 300.00 5000.00 1397.00 1
++2.74697925E+01+3.70247038E-02-1.27040472E-05+1.97715113E-09-1.14923606E-13 2
+-5.22136867E+04-1.30074996E+02-1.00898551E+01+1.26532107E-01-9.39774615E-05 3
++3.53987472E-08-5.36309552E-12-3.94622646E+04+7.08239447E+01 4
+IC8ETERBC H 16C 8O 1 G 300.00 5000.00 1401.00 1
++2.91314751E+01+3.43774014E-02-1.17923055E-05+1.83443368E-09-1.06580097E-13 2
+-4.33290883E+04-1.34137270E+02-6.52843292E+00+1.25863708E-01-1.03309536E-04 3
++4.39589623E-08-7.56138322E-12-3.17916901E+04+5.44269645E+01 4
+IC8ETERBD H 16C 8O 1 G 300.00 5000.00 1403.00 1
++2.76798014E+01+3.59323006E-02-1.23072657E-05+1.91269208E-09-1.11054254E-13 2
+-4.05912134E+04-1.26392826E+02-7.80049041E+00+1.23580877E-01-9.58621529E-05 3
++3.83545262E-08-6.21761428E-12-2.88197649E+04+6.23428739E+01 4
+IC8ETERCD H 16C 8O 1 G 300.00 5000.00 1400.00 1
++2.86413961E+01+3.45920154E-02-1.18240709E-05+1.83517355E-09-1.06458193E-13 2
+-4.05813126E+04-1.30367926E+02-5.78684465E+00+1.20680536E-01-9.52827789E-05 3
++3.89816643E-08-6.47007880E-12-2.92421013E+04+5.24386522E+01 4
+IC8ETERDD H 16C 8O 1 G 300.00 5000.00 1400.00 1
++2.73556138E+01+3.59638195E-02-1.22682161E-05+1.90171108E-09-1.10226910E-13 2
+-3.79302663E+04-1.24315287E+02-7.58698592E+00+1.20473410E-01-9.05271586E-05 3
++3.48575822E-08-5.42424035E-12-2.61839898E+04+6.21571345E+01 4
+AC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+AC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.61072392E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.15232002E+01 4
+AC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62468861E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.67518862E+01 4
+AC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+BC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.75785800E+01+3.64513715E-02-1.26763216E-05+1.99010404E-09-1.16363556E-13 2
+-5.25653329E+04-1.68169424E+02-1.49381512E+00+1.36761538E-01-1.14348621E-04 3
++4.99098535E-08-8.85373352E-12-3.97954365E+04+3.86453145E+01 4
+BC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.61072392E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.15232002E+01 4
+BC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.62169524E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.04260689E+01 4
+CC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62876511E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.63442364E+01 4
+CC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.75785800E+01+3.64513715E-02-1.26763216E-05+1.99010404E-09-1.16363556E-13 2
+-5.25653329E+04-1.68169424E+02-1.49381512E+00+1.36761538E-01-1.14348621E-04 3
++4.99098535E-08-8.85373352E-12-3.97954365E+04+3.86453145E+01 4
+CC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62468861E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.67518862E+01 4
+DC8H16OOH-CO2 C 8O 4H 17 G 300.00 5000.00 1392.00 1
++3.68128611E+01+3.71302833E-02-1.29166292E-05+2.02823475E-09-1.18608345E-13 2
+-4.99876829E+04-1.62876511E+02-6.84583036E-01+1.31427913E-01-1.06588387E-04 3
++4.54471879E-08-7.94130791E-12-3.75095420E+04+3.63442364E+01 4
+DC8H16OOH-DO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56936971E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.82699565E+01 4
+DC8H16OOH-BO2 C 8O 4H 17 G 300.00 5000.00 1393.00 1
++3.68372436E+01+3.70741924E-02-1.28898032E-05+2.02329750E-09-1.18291456E-13 2
+-4.93845688E+04-1.62169524E+02-1.29316549E+00+1.32762515E-01-1.07403628E-04 3
++4.54644888E-08-7.86976880E-12-3.67109267E+04+4.04260689E+01 4
+DC8H16OOH-AO2 C 8O 4H 17 G 300.00 5000.00 1391.00 1
++3.60794609E+01+3.77494166E-02-1.31295433E-05+2.06141539E-09-1.20538637E-13 2
+-4.68142419E+04-1.56529322E+02-5.13569052E-01+1.27497436E-01-9.96783958E-05 3
++4.09976757E-08-6.95279847E-12-3.44189277E+04+3.86776062E+01 4
+IC8KETAA H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.37853567E+01+3.48956991E-02-1.21173465E-05+1.90061451E-09-1.11065193E-13 2
+-6.30868047E+04-1.46707041E+02-1.64582765E+00+1.20217054E-01-9.16818443E-05 3
++3.60846240E-08-5.80275885E-12-5.10311149E+04+4.26871803E+01 4
+IC8KETAB H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.47134000E+01+3.41945225E-02-1.18952719E-05+1.86805496E-09-1.09255878E-13 2
+-6.57745821E+04-1.53035860E+02-2.37786754E+00+1.24999274E-01-9.81048338E-05 3
++3.95573283E-08-6.48097453E-12-5.33254847E+04+4.46667297E+01 4
+IC8KETAC H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.45066719E+01+3.43206253E-02-1.19269336E-05+1.87169276E-09-1.09412647E-13 2
+-6.62608600E+04-1.53281052E+02-1.79570223E+00+1.24085304E-01-9.85298875E-05 3
++4.05270269E-08-6.79640096E-12-5.41257970E+04+3.99674075E+01 4
+IC8KETAD H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.37853567E+01+3.48956991E-02-1.21173465E-05+1.90061451E-09-1.11065193E-13 2
+-6.30868047E+04-1.46707041E+02-1.64582765E+00+1.20217054E-01-9.16818443E-05 3
++3.60846240E-08-5.80275885E-12-5.10311149E+04+4.26871803E+01 4
+IC8KETBA H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.36880261E+01+3.51530815E-02-1.22449632E-05+1.92459229E-09-1.12625930E-13 2
+-6.57501190E+04-1.47550024E+02-3.65722567E+00+1.27159677E-01-1.00732622E-04 3
++4.13367943E-08-6.92386575E-12-5.32214668E+04+5.13886594E+01 4
+IC8KETBC H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.50696425E+01+3.40096645E-02-1.18587999E-05+1.86530452E-09-1.09217949E-13 2
+-6.88169429E+04-1.58744646E+02-3.14440571E+00+1.26997795E-01-9.92838921E-05 3
++3.96018910E-08-6.39794193E-12-5.59585699E+04+4.51031280E+01 4
+IC8KETBD H 16C 8O 3 G 300.00 5000.00 1393.00 1
++3.36880261E+01+3.51530815E-02-1.22449632E-05+1.92459229E-09-1.12625930E-13 2
+-6.57501190E+04-1.47957674E+02-3.65722567E+00+1.27159677E-01-1.00732622E-04 3
++4.13367943E-08-6.92386575E-12-5.32214668E+04+5.09810097E+01 4
+IC8KETDA H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.37567781E+01+3.48947879E-02-1.21110491E-05+1.89897571E-09-1.10942203E-13 2
+-6.34053810E+04-1.46504034E+02-1.90202597E+00+1.21572025E-01-9.39028715E-05 3
++3.75062860E-08-6.11797234E-12-5.13502815E+04+4.38246582E+01 4
+IC8KETDB H 16C 8O 3 G 300.00 5000.00 1395.00 1
++3.47542216E+01+3.41135713E-02-1.18569613E-05+1.86098174E-09-1.08799437E-13 2
+-6.61213882E+04-1.53639919E+02-2.64616572E+00+1.26354081E-01-1.00157081E-04 3
++4.07840374E-08-6.73818789E-12-5.36421698E+04+4.54596528E+01 4
+IC8KETDC H 16C 8O 3 G 300.00 5000.00 1395.00 1
++3.51792772E+01+3.37381618E-02-1.17250740E-05+1.84020986E-09-1.07584482E-13 2
+-6.64895512E+04-1.57936324E+02-1.58826532E+00+1.22408280E-01-9.39524343E-05 3
++3.67003701E-08-5.79705545E-12-5.40609009E+04+3.84395166E+01 4
+IC8KETDD H 16C 8O 3 G 300.00 5000.00 1394.00 1
++3.37567781E+01+3.48947879E-02-1.21110491E-05+1.89897571E-09-1.10942203E-13 2
+-6.34053810E+04-1.47601165E+02-1.90202597E+00+1.21572025E-01-9.39028715E-05 3
++3.75062860E-08-6.11797234E-12-5.13502815E+04+4.27275269E+01 4
+CC8H16OH-B C 8O 1H 17 G 300.00 5000.00 1391.00 1
++2.99669394E+01+3.36833754E-02-1.12165522E-05+1.71225938E-09-9.82418884E-14 2
+-4.15420661E+04-1.32271564E+02-2.87689827E+00+1.11482896E-01-8.08081607E-05 3
++2.96268389E-08-4.33297023E-12-3.04051599E+04+4.34716318E+01 4
+BC8H16OH-C C 8O 1H 17 G 300.00 5000.00 1396.00 1
++2.73071221E+01+3.73062264E-02-1.27306762E-05+1.97331176E-09-1.14355872E-13 2
+-4.03341181E+04-1.16371644E+02-2.95390133E-03+9.84557966E-02-6.43904921E-05 3
++2.15914295E-08-2.94525109E-12-3.05712666E+04+3.12607389E+01 4
+CC8H16OH-BO2 C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.27331948E+01+3.72943966E-02-1.27101629E-05+1.96840530E-09-1.14001456E-13 2
+-5.98974914E+04-1.41668291E+02-1.01489887E+00+1.23437073E-01-9.88861679E-05 3
++4.18262980E-08-7.22470368E-12-4.88785713E+04+3.70357488E+01 4
+CC8H16O-BO2H C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.51419039E+01+3.55476965E-02-1.21767888E-05+1.89258894E-09-1.09895460E-13 2
+-5.28900671E+04-1.56477808E+02-1.93158929E+00+1.30258417E-01-1.06389100E-04 3
++4.49887457E-08-7.69050188E-12-4.08663072E+04+3.96858637E+01 4
+CC8H16OH-D C 8O 1H 17 G 300.00 5000.00 1399.00 1
++2.90885755E+01+3.57051012E-02-1.21609712E-05+1.88273709E-09-1.09020453E-13 2
+-3.98058038E+04-1.27825383E+02-3.14476709E+00+1.16182932E-01-9.04611316E-05 3
++3.70273820E-08-6.20095829E-12-2.91289874E+04+4.34505404E+01 4
+DC8H16OH-C C 8O 1H 17 G 300.00 5000.00 1392.00 1
++2.69565769E+01+3.74226654E-02-1.27342704E-05+1.97034001E-09-1.14048459E-13 2
+-3.80802679E+04-1.12796386E+02+2.14519194E-01+9.52857454E-02-5.89435011E-05 3
++1.80555637E-08-2.15185876E-12-2.83374227E+04+3.24504093E+01 4
+BC8H16OH-CO2 C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.25714033E+01+3.73996925E-02-1.27376834E-05+1.97165020E-09-1.14143661E-13 2
+-5.91489607E+04-1.40868935E+02-1.15175027E+00+1.25122316E-01-1.02472582E-04 3
++4.44190635E-08-7.84138960E-12-4.82818942E+04+3.71538044E+01 4
+BC8H16O-CO2H C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.49565016E+01+3.56849135E-02-1.22178739E-05+1.89821145E-09-1.10186458E-13 2
+-5.21350428E+04-1.55548183E+02-1.97309894E+00+1.31501867E-01-1.09342416E-04 3
++4.72136087E-08-8.23107667E-12-4.02833222E+04+3.93673819E+01 4
+CC8H16OH-DO2 C 8O 3H 17 G 300.00 5000.00 1398.00 1
++3.23695985E+01+3.77131763E-02-1.28789334E-05+1.99728040E-09-1.15785161E-13 2
+-5.80394975E+04-1.38326984E+02-1.46705330E-01+1.18354266E-01-9.10679891E-05 3
++3.71021460E-08-6.22158062E-12-4.71750407E+04+3.47110249E+01 4
+CC8H16O-DO2H C 8O 3H 17 G 300.00 5000.00 1398.00 1
++3.47789129E+01+3.59653495E-02-1.23450444E-05+1.92137125E-09-1.11673282E-13 2
+-5.10322495E+04-1.53139778E+02-1.06380331E+00+1.25177078E-01-9.85722976E-05 3
++4.02647881E-08-6.68729477E-12-3.91627086E+04+3.73630837E+01 4
+DC8H16OH-CO2 C 8O 3H 17 G 300.00 5000.00 1400.00 1
++3.20523506E+01+3.76750697E-02-1.27977739E-05+1.97752875E-09-1.14348441E-13 2
+-5.67968277E+04-1.36950337E+02-4.59393179E-01+1.20088443E-01-9.45910698E-05 3
++3.95062801E-08-6.76037390E-12-4.61257195E+04+3.54073839E+01 4
+DC8H16O-CO2H C 8O 3H 17 G 300.00 5000.00 1401.00 1
++3.44608014E+01+3.59290140E-02-1.22647176E-05+1.90177205E-09-1.10246328E-13 2
+-4.97893865E+04-1.51758563E+02-1.37464241E+00+1.26903569E-01-1.02085221E-04 3
++4.26637978E-08-7.22519508E-12-3.81136770E+04+3.80507929E+01 4
+IC6H13CHO-B H 14O 1C 7 G 300.00 5000.00 1395.00 1
++2.46801791E+01+3.05595044E-02-1.04858321E-05+1.63162811E-09-9.48178090E-14 2
+-4.65754535E+04-1.04698688E+02-2.06186556E+00+9.26532225E-02-6.54344358E-05 3
++2.37101741E-08-3.49699025E-12-3.72734650E+04+3.90181366E+01 4
+IC6H13CO-B H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.43249509E+01+2.83881621E-02-9.75334056E-06+1.51900476E-09-8.83292303E-14 2
+-2.76437026E+04-1.01160179E+02-1.36348633E+00+8.81636722E-02-6.26953163E-05 3
++2.27706971E-08-3.35325060E-12-1.87338419E+04+3.68275476E+01 4
+AC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.42514472E+01+2.84438313E-02-9.77077660E-06+1.52152073E-09-8.84667232E-14 2
+-2.15083432E+04-9.95417905E+01-1.27560491E+00+8.80197598E-02-6.28266939E-05 3
++2.29973864E-08-3.42459126E-12-1.26633185E+04+3.75312437E+01 4
+CC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1382.00 1
++2.48743929E+01+2.69185384E-02-9.05081747E-06+1.39097340E-09-8.01916208E-14 2
+-2.31625239E+04-1.02607483E+02-1.11832797E+00+8.38509118E-02-5.40513965E-05 3
++1.62768539E-08-1.73372622E-12-1.39236337E+04+3.80574211E+01 4
+DC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1382.00 1
++2.48743929E+01+2.69185384E-02-9.05081747E-06+1.39097340E-09-8.01916208E-14 2
+-2.31625239E+04-1.02607483E+02-1.11832797E+00+8.38509118E-02-5.40513965E-05 3
++1.62768539E-08-1.73372622E-12-1.39236337E+04+3.80574211E+01 4
+EC6H12CHO-B H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.42514472E+01+2.84438313E-02-9.77077660E-06+1.52152073E-09-8.84667232E-14 2
+-2.15083432E+04-9.95417905E+01-1.27560491E+00+8.80197598E-02-6.28266939E-05 3
++2.29973864E-08-3.42459126E-12-1.26633185E+04+3.75312437E+01 4
+IC6H13CHO-D H 14O 1C 7 G 300.00 5000.00 1393.00 1
++2.33841323E+01+3.17477398E-02-1.09128332E-05+1.69988637E-09-9.88517244E-14 2
+-4.61923369E+04-9.59715359E+01-1.46105990E+00+8.75877547E-02-5.84960853E-05 3
++2.00522034E-08-2.81158003E-12-3.73170744E+04+3.82873196E+01 4
+IC6H13CO-D H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.29686550E+01+2.96146721E-02-1.01906719E-05+1.58857460E-09-9.24272780E-14 2
+-2.72309483E+04-9.20709572E+01-6.86869182E-01+8.27820874E-02-5.54303759E-05 3
++1.89761388E-08-2.64754131E-12-1.87886291E+04+3.57456884E+01 4
+AC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.29422764E+01+2.96497030E-02-1.02052918E-05+1.59110021E-09-9.25835423E-14 2
+-2.11195896E+04-9.07378844E+01-6.20686634E-01+8.27433784E-02-5.56197091E-05 3
++1.91977760E-08-2.71224209E-12-1.27157934E+04+3.65442569E+01 4
+BC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1384.00 1
++2.14175606E+01+3.09495570E-02-1.06544077E-05+1.66125209E-09-9.66692969E-14 2
+-2.30307400E+04-8.18874481E+01+2.54734237E+00+6.58788027E-02-3.13192641E-05 3
++4.98367270E-09+2.58513070E-13-1.55144710E+04+2.27833491E+01 4
+CC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1377.00 1
++2.36496570E+01+2.78646436E-02-9.35641593E-06+1.43651362E-09-8.27557401E-14 2
+-2.27807364E+04-9.42101917E+01-5.82108737E-01+7.90543012E-02-4.75520142E-05 3
++1.28281319E-08-1.07735977E-12-1.39564582E+04+3.76321513E+01 4
+DC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1389.00 1
++2.32412991E+01+2.94013946E-02-1.01210871E-05+1.57812201E-09-9.18349976E-14 2
+-2.67973204E+04-9.47460288E+01+7.18129174E-01+7.97814021E-02-5.30878535E-05 3
++1.83105964E-08-2.61673962E-12-1.86909366E+04+2.71126725E+01 4
+EC6H12CHO-D H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.29422764E+01+2.96497030E-02-1.02052918E-05+1.59110021E-09-9.25835423E-14 2
+-2.11195896E+04-9.07378844E+01-6.20686634E-01+8.27433784E-02-5.56197091E-05 3
++1.91977760E-08-2.71224209E-12-1.27157934E+04+3.65442569E+01 4
+IC3H7COC3H7-I H 14O 1C 7 G 300.00 5000.00 1392.00 1
++2.33276646E+01+3.20863768E-02-1.10937810E-05+1.73479615E-09-1.01153632E-13 2
+-5.00583595E+04-9.78174337E+01-3.77585100E+00+9.59989717E-02-6.97829151E-05 3
++2.67759950E-08-4.27869423E-12-4.06227575E+04+4.76721021E+01 4
+IC3H7COC3H6-I H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.29197125E+01+2.99259872E-02-1.03576174E-05+1.62082600E-09-9.45553922E-14 2
+-2.49969691E+04-9.20831444E+01-3.08347340E+00+9.17572601E-02-6.77286761E-05 3
++2.63790309E-08-4.27043261E-12-1.59977356E+04+4.73147359E+01 4
+IC3H7COC3H6-T H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.30231691E+01+2.97793536E-02-1.02936733E-05+1.60942385E-09-9.38330580E-14 2
+-3.05668554E+04-9.55768500E+01-6.60479235E-01+8.38430170E-02-5.79348944E-05 3
++2.10237414E-08-3.18960231E-12-2.21318078E+04+3.22077356E+01 4
+TC4H9COC2H5 H 14O 1C 7 G 300.00 5000.00 1392.00 1
++2.43139145E+01+3.09986190E-02-1.06645066E-05+1.66226165E-09-9.67097097E-14 2
+-5.03935537E+04-1.03085400E+02-2.34985894E+00+9.42069281E-02-6.88140380E-05 3
++2.64112105E-08-4.19878070E-12-4.11774516E+04+3.98705615E+01 4
+TC4H8COC2H5 H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.38716283E+01+2.88997528E-02-9.95637975E-06+1.55335028E-09-9.04327880E-14 2
+-2.53210694E+04-9.78558263E+01-1.56581379E+00+8.96020058E-02-6.62908845E-05 3
++2.57733725E-08-4.14672273E-12-1.65673043E+04+3.83858873E+01 4
+TC4H9COC2H4S H 13O 1C 7 G 300.00 5000.00 1394.00 1
++2.44311775E+01+2.85604759E-02-9.86991067E-06+1.54307557E-09-8.99661771E-14 2
+-3.02612030E+04-1.04211609E+02-2.86500441E+00+9.45587402E-02-7.18382514E-05 3
++2.84095909E-08-4.60883988E-12-2.09863386E+04+4.16255786E+01 4
+TC4H9COC2H4P H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.38716283E+01+2.88997528E-02-9.95637975E-06+1.55335028E-09-9.04327880E-14 2
+-2.53210694E+04-9.78558263E+01-1.56581379E+00+8.96020058E-02-6.62908845E-05 3
++2.57733725E-08-4.14672273E-12-1.65673043E+04+3.83858873E+01 4
+NEOC5H11COCH3 H 14O 1C 7 G 300.00 5000.00 1390.00 1
++2.43486596E+01+3.06917909E-02-1.05004224E-05+1.63082524E-09-9.46511062E-14 2
+-5.07352310E+04-1.03291547E+02-1.46390909E+00+9.05685950E-02-6.37865551E-05 3
++2.33501459E-08-3.52135242E-12-4.17111247E+04+3.55185522E+01 4
+NEOC5H10COCH3 H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.39256329E+01+2.85722552E-02-9.78428852E-06+1.52057894E-09-8.82932128E-14 2
+-2.56709397E+04-9.81734931E+01-6.89460021E-01+8.60015804E-02-6.12862996E-05 3
++2.27088339E-08-3.46573783E-12-1.70995937E+04+3.40782918E+01 4
+TC4H9CHCOCH3 H 13O 1C 7 G 300.00 5000.00 1394.00 1
++2.42666643E+01+2.85991118E-02-9.86099273E-06+1.53937608E-09-8.96576896E-14 2
+-3.05411954E+04-1.03331843E+02-1.85925046E+00+9.03847676E-02-6.61632235E-05 3
++2.50957244E-08-3.90449871E-12-2.15371579E+04+3.67240737E+01 4
+NEOC5H11COCH2 H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.39256329E+01+2.85722552E-02-9.78428852E-06+1.52057894E-09-8.82932128E-14 2
+-2.56709397E+04-9.81734931E+01-6.89460021E-01+8.60015804E-02-6.12862996E-05 3
++2.27088339E-08-3.46573783E-12-1.70995937E+04+3.40782918E+01 4
+NEOC6H13CHO H 14O 1C 7 G 300.00 5000.00 1390.00 1
++2.48969600E+01+2.98733076E-02-1.01450449E-05+1.56812987E-09-9.07200142E-14 2
+-4.70628380E+04-1.05562716E+02-1.07662033E+00+9.06315437E-02-6.44711218E-05 3
++2.36973093E-08-3.55917227E-12-3.80746419E+04+3.38641362E+01 4
+NEOC6H13CO H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.44942743E+01+2.77558577E-02-9.43402090E-06+1.45914685E-09-8.44547842E-14 2
+-2.81132437E+04-1.01752249E+02-2.87709630E-01+8.57649866E-02-6.12854159E-05 3
++2.25486149E-08-3.38121978E-12-1.95488023E+04+3.12520715E+01 4
+FC6H12CHO H 13O 1C 7 G 300.00 5000.00 1390.00 1
++2.44790270E+01+2.77234012E-02-9.41318956E-06+1.45492224E-09-8.41703414E-14 2
+-2.19960556E+04-1.00455738E+02-2.96237000E-01+8.60441847E-02-6.19619487E-05 3
++2.30482594E-08-3.50036387E-12-1.34640410E+04+3.24008289E+01 4
+GC6H12CHO H 13O 1C 7 G 300.00 5000.00 1379.00 1
++2.47015833E+01+2.71261493E-02-9.13422284E-06+1.40508985E-09-8.10539274E-14 2
+-2.35689644E+04-1.01453485E+02+2.26026624E-01+8.03948916E-02-5.12654503E-05 3
++1.55470699E-08-1.72614040E-12-1.47828461E+04+3.12101951E+01 4
+HC6H12CHO H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.46367754E+01+2.81015703E-02-9.64943101E-06+1.50224000E-09-8.73303956E-14 2
+-2.68070892E+04-1.04624439E+02-1.49153599E+00+9.06166557E-02-6.72533407E-05 3
++2.58235090E-08-4.05008952E-12-1.78994662E+04+3.51456906E+01 4
+IC4H7COCH3 C 6O 1H 10 G 300.00 5000.00 1388.00 1
++1.83434395E+01+2.44109312E-02-8.44066563E-06+1.31997092E-09-7.69676934E-14 2
+-2.87734922E+04-6.84353349E+01+3.45161845E-02+6.50244770E-02-4.29538366E-05 3
++1.48194489E-08-2.14333203E-12-2.21163912E+04+3.07996675E+01 4
+IC4H7COCH2 C 6H 9O 1 G 300.00 5000.00 1390.00 1
++1.89479328E+01+2.14495345E-02-7.44167879E-06+1.16641630E-09-6.81239978E-14 2
+-7.41585721E+03-7.21913218E+01-3.53963022E-01+6.78928719E-02-5.13106907E-05 3
++2.05242684E-08-3.41203256E-12-7.76525564E+02+3.11124973E+01 4
+IC3H5CHCOCH3 C 6H 9O 1 G 300.00 5000.00 1390.00 1
++1.85845410E+01+2.17712979E-02-7.55624175E-06+1.18472459E-09-6.92089797E-14 2
+-8.68657098E+03-7.02588276E+01-5.58003073E-01+6.54550516E-02-4.56848950E-05 3
++1.64019601E-08-2.42048198E-12-1.90754088E+03+3.29624279E+01 4
+AC3H4CH2COCH3 C 6H 9O 1 G 300.00 5000.00 1391.00 1
++1.87819321E+01+2.19577231E-02-7.60408813E-06+1.19041134E-09-6.94658765E-14 2
+-1.05343919E+04-7.09624946E+01-9.11540358E-01+6.96528187E-02-5.29708390E-05 3
++2.13358360E-08-3.56619587E-12-3.79565358E+03+3.43197159E+01 4
+XC7H13OOH-X1 H 14O 2C 7 G 300.00 5000.00 1394.00 1
++2.66362046E+01+3.11410133E-02-1.07093968E-05+1.66864245E-09-9.70500546E-14 2
+-3.34516870E+04-1.08689560E+02+7.76412273E-01+9.32733765E-02-6.90302856E-05 3
++2.71131412E-08-4.42624208E-12-2.45737159E+04+2.96983529E+01 4
+XC7H13O-X1 H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.30727261E+01+2.95368852E-02-1.00745564E-05+1.56133137E-09-9.04775996E-14 2
+-1.29725199E+04-9.30554662E+01-7.75300249E-01+8.49646400E-02-5.94662144E-05 3
++2.16918278E-08-3.26005551E-12-4.65154069E+03+3.51414119E+01 4
+YC7H13OOH-X1 H 14O 2C 7 G 300.00 5000.00 1393.00 1
++2.64186836E+01+3.13780397E-02-1.08030073E-05+1.68451079E-09-9.80255605E-14 2
+-3.47896774E+04-1.08001178E+02+1.02249456E+00+9.09767571E-02-6.50991461E-05 3
++2.46035886E-08-3.87389704E-12-2.59288402E+04+2.84096505E+01 4
+YC7H13O-X1 H 13O 1C 7 G 300.00 5000.00 1391.00 1
++2.25900151E+01+2.99295397E-02-1.02060513E-05+1.58143556E-09-9.16308406E-14 2
+-1.41654513E+04-9.07429884E+01-1.81317091E-01+8.13808255E-02-5.43600432E-05 3
++1.87652595E-08-2.65959040E-12-6.06275977E+03+3.22056507E+01 4
+OC7H13OOH-N H 14O 2C 7 G 300.00 5000.00 1397.00 1
++2.74150209E+01+3.04497504E-02-1.04670931E-05+1.63063783E-09-9.48366783E-14 2
+-3.48277636E+04-1.15279505E+02-3.05484500E-01+9.61949401E-02-7.03532581E-05 3
++2.65693066E-08-4.09705497E-12-2.53195779E+04+3.32124833E+01 4
+OC7H13O-N H 13O 1C 7 G 300.00 5000.00 1396.00 1
++2.39390176E+01+2.87225504E-02-9.77892351E-06+1.51385879E-09-8.76662134E-14 2
+-1.46526171E+04-9.97092488E+01-2.66228512E+00+9.33258885E-02-7.03068767E-05 3
++2.75067837E-08-4.39060053E-12-5.69431956E+03+4.22270419E+01 4
+XC7H13OOH-Z H 14O 2C 7 G 300.00 5000.00 1392.00 1
++2.77344809E+01+3.06208930E-02-1.06227239E-05+1.66488546E-09-9.72302336E-14 2
+-3.55197897E+04-1.16497773E+02-1.48503090E+00+1.04030621E-01-8.36343827E-05 3
++3.56106876E-08-6.23762247E-12-2.57692851E+04+3.88009911E+01 4
+PC7H13OOH-O H 14O 2C 7 G 300.00 5000.00 1406.00 1
++2.88747280E+01+2.87658684E-02-9.79083754E-06+1.51536577E-09-8.77386311E-14 2
+-3.37434295E+04-1.24954947E+02-3.02722062E+00+1.11019293E-01-9.17829120E-05 3
++3.88307706E-08-6.58157021E-12-2.35462632E+04+4.34529948E+01 4
+OC7H13OOH-Q H 14O 2C 7 G 300.00 5000.00 1398.00 1
++2.75660499E+01+3.03391648E-02-1.04316827E-05+1.62530194E-09-9.45307884E-14 2
+-3.45006038E+04-1.15756154E+02-7.90734105E-01+1.00002634E-01-7.70002750E-05 3
++3.09783801E-08-5.10292520E-12-2.49866577E+04+3.53369865E+01 4
+OC7H13O-Q H 13O 1C 7 G 300.00 5000.00 1392.00 1
++2.48114551E+01+2.73357475E-02-9.17594314E-06+1.40814702E-09-8.10840729E-14 2
+-1.43009513E+04-1.05674605E+02-2.40308163E+00+9.16558423E-02-6.66066314E-05 3
++2.44184717E-08-3.57059788E-12-5.04996482E+03+4.00121981E+01 4
+XC7H13OOH-Y2 H 14O 2C 7 G 300.00 5000.00 1397.00 1
++2.67879504E+01+3.07897437E-02-1.05385579E-05+1.63676557E-09-9.49819719E-14 2
+-3.66745351E+04-1.11694404E+02+9.22602794E-01+9.45450815E-02-7.20937380E-05 3
++2.92248746E-08-4.89592286E-12-2.79723024E+04+2.61235641E+01 4
+XC7H13O-Y2 H 13O 1C 7 G 300.00 5000.00 1395.00 1
++2.34502681E+01+2.93961478E-02-1.00625079E-05+1.56299241E-09-9.07095315E-14 2
+-1.70842806E+04-9.65158529E+01-1.00666852E+00+8.94593772E-02-6.79868664E-05 3
++2.75737914E-08-4.63787960E-12-8.81465736E+03+3.39090116E+01 4
+YC7H13OOH-X2 H 14O 2C 7 G 300.00 5000.00 1392.00 1
++2.59633940E+01+3.17761504E-02-1.09429861E-05+1.70664641E-09-9.93263248E-14 2
+-3.49851761E+04-1.03963771E+02+1.57763619E+00+8.69613937E-02-5.88014368E-05 3
++2.07462381E-08-3.04306705E-12-2.62712900E+04+2.77464575E+01 4
+YC7H13O-X2 H 13O 1C 7 G 300.00 5000.00 1393.00 1
++2.22568730E+01+3.03747275E-02-1.03924985E-05+1.61372704E-09-9.36327358E-14 2
+-1.47112471E+04-8.70694731E+01-3.89617202E-01+8.25257681E-02-5.67350163E-05 3
++2.06158021E-08-3.13125784E-12-6.70837928E+03+3.49278519E+01 4
+CC6H11-D H 11C 6 G 300.00 5000.00 1391.00 1
++1.66759139E+01+2.55188994E-02-8.75271262E-06+1.36122037E-09-7.90628889E-14 2
++1.25816223E+04-6.17581772E+01+2.79892305E-01+6.08090233E-02-3.74358651E-05 3
++1.19198836E-08-1.57803419E-12+1.86591061E+04+2.75036232E+01 4
+DC6H11-D H 11C 6 G 300.00 5000.00 1392.00 1
++1.71678488E+01+2.50927881E-02-8.60445951E-06+1.33799261E-09-7.77083423E-14 2
++1.37739196E+04-6.41092420E+01-1.02888525E-01+6.34862322E-02-4.12460161E-05 3
++1.40677187E-08-2.01119123E-12+2.00376607E+04+2.94552886E+01 4
+IC3H6CHCOCH3 C 6O 1H 10 G 300.00 5000.00 1386.00 1
++1.84663850E+01+2.44259450E-02-8.47213874E-06+1.32761050E-09-7.75224614E-14 2
+-3.27396361E+04-7.08968496E+01+8.85427322E-01+6.25311280E-02-4.00028998E-05 3
++1.33360139E-08-1.87537015E-12-2.62281818E+04+2.47595184E+01 4
+AC3H5CHCOCH3 C 6H 9O 1 G 300.00 5000.00 1386.00 1
++1.94093580E+01+2.12803450E-02-7.43394792E-06+1.17058928E-09-6.85879838E-14 2
+-1.47343669E+04-7.63296154E+01+3.32194844E-01+6.50925472E-02-4.64483778E-05 3
++1.73165694E-08-2.69407590E-12-7.95952457E+03+2.65201335E+01 4
+IC3H6CHCOCH2 C 6H 9O 1 G 300.00 5000.00 1388.00 1
++1.90576522E+01+2.14419783E-02-7.45801114E-06+1.17093650E-09-6.84668640E-14 2
+-1.13718745E+04-7.45617262E+01+6.52612117E-01+6.46089181E-02-4.71213384E-05 3
++1.82350555E-08-2.95881586E-12-4.90902385E+03+2.43728654E+01 4
+C7H6 C 7H 6 G 300.00 5000.00 1000.00 1
++1.68334800E+01+1.67226500E-02-5.67220600E-06+9.04025300E-10-5.57004300E-14 2
++5.19756600E+04-5.93362200E+01+4.48147900E-01+6.21777000E-02-4.53888500E-05 3
++1.03357400E-08+1.14743800E-12+5.62738000E+04+2.48082600E+01 4
+RODC6JDO H 5C 6O 2 G 300.00 5000.00 1400.00 1
++1.78077666E+01+1.57342093E-02-5.31173367E-06+8.17819899E-10-4.71852395E-14 2
+-5.54991746E+03-6.95659926E+01+3.37183470E-01+6.11551836E-02-5.11124475E-05 3
++2.19526855E-08-3.78092218E-12+6.99211714E+00+2.25447460E+01 4
+OXCCXCCJXO C 4H 3O 2 G 300.00 5000.00 1394.00 1
++1.51222766E+01+7.86855773E-03-2.79188673E-06+4.44279496E-10-2.62250597E-14 2
+-1.75413346E+04-5.12157742E+01+4.04651808E-01+4.93578716E-02-4.86244463E-05 3
++2.35936197E-08-4.46549958E-12-1.31321917E+04+2.53224744E+01 4
+BICPD C 10H 10 G 300.00 5000.00 1390.00 1
++2.37376593E+01+3.04584890E-02-1.08284032E-05+1.72545836E-09-1.01947418E-13 2
++1.46634901E+04-1.07726856E+02-2.04390488E+01+1.33899523E-01-1.01916956E-04 3
++3.75374041E-08-5.40373749E-12+2.97634367E+04+1.29084476E+02 4
+C6JYOO H 5C 6O 2 G 300.00 5000.00 1402.00 1
++1.89067274E+01+1.53069535E-02-5.27402706E-06+8.23188147E-10-4.79482227E-14 2
++2.07181075E+04-7.69479534E+01-4.30389058E+00+7.94079577E-02-7.40991946E-05 3
++3.45047697E-08-6.31020034E-12+2.77342644E+04+4.41091500E+01 4
+DICYPD C 10H 12 G 300.00 5000.00 1392.00 1
++2.39749595E+01+3.52708288E-02-1.24700883E-05+1.97979508E-09-1.16678757E-13 2
++8.62179832E+03-1.09672463E+02-2.26739692E+01+1.42960823E-01-1.05472660E-04 3
++3.76048718E-08-5.21352920E-12+2.47285806E+04+1.40949486E+02 4
+CYC5H9 C 5H 9 G 300.00 5000.00 1378.00 1
++1.24946381E+01+2.23549938E-02-7.51362241E-06+1.15415415E-09-6.65065318E-14 2
++6.45390040E+03-4.65796398E+01-5.78089755E+00+5.92878731E-02-3.26281412E-05 3
++7.06409844E-09-1.75407888E-13+1.32581249E+04+5.34176945E+01 4
+BICPDJ C 10H 9 G 300.00 5000.00 1399.00 1
++2.45083550E+01+2.64757146E-02-9.27286602E-06+1.46300495E-09-8.58478665E-14 2
++3.23863450E+04-1.13439904E+02-1.34109066E+01+1.24639346E-01-1.07874970E-04 3
++4.68295361E-08-8.08624375E-12+4.44966038E+04+8.66451589E+01 4
+CXCC(C#C)XC C 6H 6 G 300.00 5000.00 1387.00 1
++1.51766669E+01+1.55012362E-02-5.43228931E-06+8.57195296E-10-5.02984330E-14 2
++3.25609626E+04-5.54334104E+01-3.81178233E-01+5.40352836E-02-4.34005262E-05 3
++1.84672859E-08-3.24815225E-12+3.78339571E+04+2.74962665E+01 4
+HCOCJXO H 1O 2C 2 G 300.00 5000.00 1413.00 1
++9.56248658E+00+2.73668655E-03-1.00178635E-06+1.62732634E-10-9.74372616E-15 2
+-3.22485394E+03-2.52197723E+01+3.00486696E-01+2.77038168E-02-2.66618100E-05 3
++1.20343295E-08-2.08589886E-12-4.23731341E+02+2.32044967E+01 4
+CJXCCXCXO C 4H 3O 1 G 300.00 5000.00 1401.00 1
++1.37273605E+01+6.55159611E-03-2.25016948E-06+3.50319189E-10-2.03642753E-14 2
++2.53422200E+04-4.50044906E+01+1.46891560E+00+4.57117267E-02-5.03333351E-05 3
++2.66604935E-08-5.36154380E-12+2.85841219E+04+1.71604226E+01 4
+CXCCCJXO H 5C 4O 1 G 300.00 5000.00 1389.00 1
++1.18646590E+01+1.28852832E-02-4.45460888E-06+6.96613045E-10-4.06215490E-14 2
++3.86344452E+03-3.32989999E+01+9.34300027E-01+3.77751824E-02-2.61384581E-05 3
++9.34041036E-09-1.37598294E-12+7.74223639E+03+2.56636231E+01 4
+CXCCCO2J H 5C 4O 2 G 300.00 5000.00 1394.00 1
++1.31014888E+01+1.43653801E-02-4.96097546E-06+7.75190740E-10-4.51773635E-14 2
+-2.14556874E+04-4.32632704E+01-9.25534522E-01+5.02116403E-02-4.11514066E-05 3
++1.77825411E-08-3.14006631E-12-1.68498468E+04+3.10498181E+01 4
+OXCCXCCXO C 4O 2H 4 G 300.00 5000.00 1385.00 1
++1.46191433E+01+1.09193238E-02-3.86206176E-06+6.13272282E-10-3.61465924E-14 2
+-2.90816690E+04-5.08276975E+01+1.17740159E+00+4.23067551E-02-3.18408983E-05 3
++1.19690116E-08-1.81063004E-12-2.44288948E+04+2.13417216E+01 4
+OXCCXCCJCXO C 5O 2H 5 G 300.00 5000.00 1387.00 1
++1.79529662E+01+1.28543987E-02-4.55161528E-06+7.23280909E-10-4.26505626E-14 2
+-1.67778521E+04-6.37516991E+01+7.35946673E-01+5.61552852E-02-4.72529312E-05 3
++2.02637362E-08-3.51021540E-12-1.10881475E+04+2.76556378E+01 4
+CYC5H8 C 5H 8 G 300.00 5000.00 1398.00 1
++1.27525879E+01+2.01602949E-02-6.86564327E-06+1.06303695E-09-6.15663048E-14 2
+-3.09810152E+03-4.85501459E+01-5.44615258E+00+6.33154620E-02-4.59351514E-05 3
++1.71229729E-08-2.58907474E-12+3.11839629E+03+4.88944865E+01 4
+CH2CY24PD C 6H 7 G 300.00 5000.00 1402.00 1
++1.55519752E+01+1.77085606E-02-6.09452317E-06+9.50211121E-10-5.52948378E-14 2
++2.85170008E+04-6.03503431E+01-6.08820883E+00+7.61402462E-02-6.77566170E-05 3
++3.07797975E-08-5.56356102E-12+3.52270912E+04+5.30465780E+01 4
+CYC6H7 C 6H 7 G 300.00 5000.00 1397.00 1
++1.45807530E+01+1.90472668E-02-6.57818915E-06+1.02815839E-09-5.99380191E-14 2
++1.73949036E+04-5.69992223E+01-6.01550859E+00+6.95380134E-02-5.43113522E-05 3
++2.16857946E-08-3.50034432E-12+2.42697461E+04+5.27055540E+01 4
+LINC6H7 C 6H 7 G 300.00 5000.00 1405.00 1
++1.76225860E+01+1.51976235E-02-5.15602211E-06+7.96188268E-10-4.60220066E-14 2
++4.12781421E+04-6.76880771E+01-1.68717680E+00+6.97442629E-02-6.51384982E-05 3
++3.08028076E-08-5.72894955E-12+4.70145566E+04+3.26256051E+01 4
+CPDOOH C 5O 2H 6 G 300.00 5000.00 1397.00 1
++1.90879305E+01+1.47694351E-02-5.19152626E-06+8.21019611E-10-4.82550028E-14 2
+-5.53511312E+03-7.56064355E+01-4.18453798E+00+7.77836558E-02-7.18699521E-05 3
++3.31691427E-08-6.04024361E-12+1.65907623E+03+4.62765275E+01 4
+XYLENE C 8H 10 G 300.00 5000.00 1000.00 1
++1.66478700E+01+2.90357700E-02-9.78133800E-06+1.55180600E-09-9.53331200E-14 2
+-6.29562100E+03-6.50455900E+01-3.34551000E+00+7.43882600E-02-4.17868200E-05 3
++7.01958400E-09+1.06597900E-12+9.08072600E+01+4.16011600E+01 4
+CXOCCXO H 4O 2C 3 G 300.00 5000.00 1380.00 1
++1.13146955E+01+1.09826045E-02-3.83865503E-06+6.04745993E-10-3.54478774E-14 2
+-3.68456705E+04-3.10905302E+01+1.79852184E+00+3.04274142E-02-1.78928318E-05 3
++4.68680660E-09-3.88605902E-13-3.32645409E+04+2.10026410E+01 4
+CPDCXC H 8C 7 G 300.00 5000.00 1402.00 1
++1.78678776E+01+2.08230902E-02-7.16659653E-06+1.11739206E-09-6.50251109E-14 2
++1.53285313E+04-7.26513565E+01-6.71194396E+00+8.59702829E-02-7.45644868E-05 3
++3.31169868E-08-5.87901139E-12+2.30640302E+04+5.65691171E+01 4
+FULVENYL H 5C 6 G 300.00 5000.00 1400.00 1
++1.49733861E+01+1.31279548E-02-4.43931566E-06+6.85048173E-10-3.96115173E-14 2
++5.04662708E+04-5.79946013E+01-3.37529649E+00+5.92300122E-02-4.85540402E-05 3
++1.97350757E-08-3.16400675E-12+5.63897813E+04+3.91932238E+01 4
+CPDJCH3 C 6H 7 G 300.00 5000.00 1400.00 1
++1.67719080E+01+1.69553299E-02-5.89878767E-06+9.26452584E-10-5.41901391E-14 2
++1.51931941E+04-6.88571619E+01-6.89848650E+00+8.10196607E-02-7.36595148E-05 3
++3.37792196E-08-6.13407967E-12+2.25152042E+04+5.51218056E+01 4
+CXOCJCXO H 3O 2C 3 G 300.00 5000.00 1388.00 1
++1.15553127E+01+8.26541096E-03-2.90883856E-06+4.60361477E-10-2.70704715E-14 2
+-1.53011324E+04-3.02788743E+01+1.73207262E+00+3.21117881E-02-2.54057019E-05 3
++1.02703474E-08-1.68852228E-12-1.19752646E+04+2.21677180E+01 4
+C12H10 C 12H 10 G 300.00 5000.00 1000.00 1
++2.42890170E+01+3.40066480E-02-1.17224080E-05+1.77292980E-09-9.68125320E-14 2
++1.02870000E+04-1.08023740E+02-4.07395270E+00+8.69733100E-02-4.23536130E-06 3
+-6.45644600E-08+3.41501690E-11+1.94059650E+04+4.47413480E+01 4
+O2C6H4CH3 O 2H 7C 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+RODC6J(C)DO O 2H 7C 7 G 300.00 5000.00 1000.00 1
++7.85604900E+00+3.92559300E-02-1.47595400E-05+2.52937400E-09-1.63917200E-13 2
+-1.19508000E+04-1.02840500E+01-6.06739200E+00+8.92807600E-02-7.08112200E-05 3
++2.37917600E-08-1.50767700E-12-9.40272500E+03+5.71451600E+01 4
+OCCXCCXCJC C 6H 7O 1 G 300.00 5000.00 1000.00 1
++5.04970100E+00+3.87918600E-02-1.53206600E-05+2.71712600E-09-1.80337300E-13 2
++1.97598400E+04+7.77227800E+00+2.96031500E-01+5.58237700E-02-3.63319400E-05 3
++1.32263700E-08-1.97858300E-12+2.07336500E+04+3.10296800E+01 4
+C6H4 H 4C 6 G 300.00 5000.00 1000.00 1
++1.36143500E+01+1.50269800E-02-6.02561500E-06+1.07986200E-09-7.21888300E-14 2
++3.73144700E+04-4.93064800E+01-3.25250900E+00+6.30375700E-02-4.88828900E-05 3
++1.14479600E-08+1.25205300E-12+4.16049100E+04+3.68365700E+01 4
+OC6H4CH2 O 1C 7H 6 G 300.00 5000.00 1000.00 1
++1.24204756E+01+2.70171830E-02-1.09476851E-05+2.02705529E-09-1.40757462E-13 2
++4.49159466E+02-4.10236260E+01-6.21979546E-01+5.14918065E-02-6.11682462E-06 3
+-2.88887155E-08+1.45119845E-11+4.44241036E+03+2.88224802E+01 4
+CR1 H 14C 11 G 300.00 5000.00 1000.00 1
++2.42794900E+01+3.92779300E-02-1.30558300E-05+2.05291800E-09-1.25404600E-13 2
+-2.23530900E+03-1.00739800E+02-5.00426800E+00+1.10945100E-01-6.88875700E-05 3
++1.39681200E-08+1.38654600E-12+6.54423100E+03+5.34441100E+01 4
+CR2 H 13C 11 G 300.00 5000.00 1000.00 1
++2.50582400E+01+3.43152500E-02-1.04203000E-05+1.53664900E-09-8.98238000E-14 2
++1.45021900E+04-1.03376100E+02-4.58397600E+00+1.10883200E-01-8.08779400E-05 3
++2.91848700E-08-4.21307100E-12+2.32589100E+04+5.18607300E+01 4
+CR5 C 10H 12 G 300.00 5000.00 1000.00 1
++1.97434500E+01+3.73130400E-02-1.28029100E-05+2.05554600E-09-1.27209100E-13 2
++2.59364500E+03-7.78589000E+01-5.52268800E+00+1.00548100E-01-6.39515100E-05 3
++1.44123100E-08+6.71828400E-13+1.00428100E+04+5.46940100E+01 4
+END
\ No newline at end of file
diff --git a/Exemple/Results full merging/new_model_TIRAMISU_n.trans b/Exemple/Results full merging/new_model_TIRAMISU_n.trans
new file mode 100644
index 0000000000000000000000000000000000000000..8aabdc144a1771bf6accf2391cf7c01f861b2697
--- /dev/null
+++ b/Exemple/Results full merging/new_model_TIRAMISU_n.trans
@@ -0,0 +1,1588 @@
+!
+! n=10000 kinetics and thermodynamics retained from AA
+! 03/05/2024
+!n
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! AA TRANSPORT !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+C6H5CH2CH2OO 2 546.200 6.000 0.130 15.000 1.000
+C6H5CHOOCH3 2 546.200 6.000 0.130 15.000 1.000
+FULVENE 2 468.500 5.230 0.000 0.000 1.000
+NAPH 2 630.400 6.180 0.000 16.500 1.000
+C6H5CH2J 2 495.300 5.680 0.000 0.000 1.000
+C3H2 2 209.000 4.100 0.000 0.000 1.000
+C3H2(S) 2 209.000 4.100 0.000 0.000 1.000
+O-C6H4 2 412.300 5.349 0.000 0.000 1.000
+C6H5CH3 2 495.300 5.680 0.430 12.300 1.000
+C6H4CH3 2 495.300 5.680 0.000 0.000 1.000
+OC6H4CH3 2 621.100 5.640 0.000 0.000 1.000
+HOC6H4CH3 2 621.100 5.640 0.000 0.000 1.000
+C6H5CH2OOJ 2 572.000 5.820 1.700 0.000 1.000
+C6H5CH2OOH 2 572.000 5.820 1.700 0.000 1.000
+C6H5CH2OJ 2 622.400 5.530 0.000 0.000 1.000
+HOC6H4CH2 2 621.100 5.640 0.000 0.000 1.000
+C6H5CHO 2 622.400 5.530 0.000 0.000 1.000
+C6H5CH2OH 2 622.400 5.530 0.000 0.000 1.000
+C6H5C2H5 2 523.600 5.960 0.000 0.000 1.000
+C14H14 2 783.800 6.640 0.000 0.000 1.000
+C14H13 2 783.800 6.640 0.000 0.000 1.000
+STYLBEN 2 772.000 6.960 0.000 0.000 1.000
+PHCCHPH 2 772.000 6.960 0.000 0.000 1.000
+C6H5CJO 2 622.400 5.530 0.000 0.000 1.000
+C14H13OO 2 783.800 6.640 0.000 0.000 1.000
+C14H12OOH 2 783.800 6.640 0.000 0.000 1.000
+C14H13O 2 783.800 6.640 0.000 0.000 1.000
+C14H13OOH 2 783.800 6.640 0.000 0.000 1.000
+C14H12O2H-1O2 2 783.800 6.640 0.000 0.000 1.000
+C14H11O-1O2H 2 783.800 6.640 0.000 0.000 1.000
+HOC6H4CH2OO 2 621.100 5.640 0.000 0.000 1.000
+HOC6H4CH2O 2 621.100 5.640 0.000 0.000 1.000
+HOC6H4CH2OOH 2 621.100 5.640 0.000 0.000 1.000
+HOC6H4CHO 2 621.100 5.640 0.000 0.000 1.000
+C6H5CHOH 2 622.400 5.530 0.000 0.000 1.000
+C6H5C2H4S 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H4P 2 485.000 5.425 0.400 0.000 1.000
+STYR 2 546.200 6.000 0.130 15.000 1.000
+HOC6H4CO 2 621.100 5.640 0.000 0.000 1.000
+C6H5CCH2 2 546.200 6.000 0.000 0.000 1.000
+C6H5C2H2 2 546.200 6.000 0.000 0.000 1.000
+CH3CY24PD 2 464.800 5.290 0.000 10.320 1.000
+IND 2 630.400 6.180 0.000 16.500 1.000
+C10H9 2 630.400 6.180 0.000 0.000 1.000
+C10H10 2 630.400 6.180 0.000 0.000 1.000
+CXCCXCXO 1 357.000 5.180 0.000 0.000 1.000
+NAPH- 2 630.400 6.180 0.000 16.500 1.000
+NAPH* 2 630.400 6.180 0.000 16.500 1.000
+NAPHO 2 630.400 6.180 0.000 16.500 1.000
+C9H7 2 630.400 6.180 0.000 16.500 1.000
+C9H6O 2 625.000 6.150 0.000 0.000 1.000
+BIN1A 2 630.400 6.180 0.000 16.500 1.000
+FLUORENE 2 712.600 6.890 0.000 0.000 1.000
+C14H10 2 772.000 6.960 0.000 0.000 1.000
+C16H10 2 630.400 6.180 0.000 16.500 1.000
+C6H5C2H 2 468.500 5.230 0.000 0.000 1.000
+C6H4C2H3 2 546.200 6.000 0.000 0.000 1.000
+C6H5CHCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H9 2 546.200 6.000 0.130 15.000 1.000
+C6H5C4H7-2 2 546.200 6.000 0.130 15.000 1.000
+C6H5C4H7-3 2 546.200 6.000 0.130 15.000 1.000
+C6H5C4H7-1 2 546.200 6.000 0.130 15.000 1.000
+CR3 2 546.200 6.000 0.130 15.000 1.000
+C6H5CH2HCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2CO 2 523.600 5.960 0.000 0.000 1.000
+C6H5COC2H4 2 523.600 5.960 0.000 0.000 1.000
+C6H5COC2H3 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2O2H 2 523.600 5.960 0.000 0.000 1.000
+C6H5COCH2CH2O2 2 523.600 5.960 0.000 0.000 1.000
+C6H5COCH2CH2O 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2CHCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5COCH2 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2O2 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2 2 523.600 5.960 0.000 0.000 1.000
+C6H5CH2COCH2O 2 523.600 5.960 0.000 0.000 1.000
+C6H5CCO 2 588.200 5.940 0.000 0.000 1.000
+C6H5COCH2CH2O2H 2 523.600 5.960 0.000 0.000 1.000
+H 0 145.000 2.050 0.000 0.000 0.000
+H2 1 38.000 2.920 0.000 0.790 280.000
+O 0 80.000 2.750 0.000 0.000 0.000
+O2 1 107.400 3.458 0.000 1.600 3.800
+OH 1 80.000 2.750 0.000 0.000 0.000
+OH* 1 80.000 2.750 0.000 0.000 0.000
+H2O 2 572.400 2.605 1.844 0.000 4.000
+N2 1 97.530 3.621 0.000 1.760 4.000
+HO2 2 107.400 3.458 0.000 0.000 1.000
+H2O2 2 107.400 3.458 0.000 0.000 3.800
+AR 0 136.500 3.330 0.000 0.000 0.000
+CO 1 98.100 3.650 0.000 1.950 1.800
+CO2 1 244.000 3.763 0.000 2.650 2.100
+CH2O 2 498.000 3.590 0.000 0.000 2.000
+HCO 2 498.000 3.590 0.000 0.000 0.000
+HO2CHO 2 436.000 3.970 0.000 0.000 2.000
+HCOH 2 498.000 3.590 0.000 0.000 1.000
+O2CHO 2 436.000 3.970 0.000 0.000 2.000
+HOCHO 2 436.000 3.970 0.000 0.000 2.000
+OCHO 2 498.000 3.590 0.000 0.000 2.000
+HOCH2O2H 2 481.800 3.626 1.700 0.000 1.000
+HOCH2O2 2 481.800 3.626 1.700 0.000 1.000
+OCH2O2H 2 481.800 3.626 1.700 0.000 1.000
+HOCH2O 2 470.600 4.410 0.000 0.000 1.500
+CH3OH 2 481.800 3.626 0.000 0.000 1.000
+CH2OH 2 417.000 3.690 1.700 0.000 2.000
+CH3O 2 417.000 3.690 1.700 0.000 2.000
+CH3O2H 2 481.800 3.626 0.000 0.000 1.000
+CH3O2 2 481.800 3.626 0.000 0.000 1.000
+CH4 2 141.400 3.746 0.000 2.600 13.000
+CH3 1 144.000 3.800 0.000 0.000 0.000
+CH2 1 144.000 3.800 0.000 0.000 0.000
+CH2(S) 1 144.000 3.800 0.000 0.000 0.000
+C 0 71.400 3.298 0.000 0.000 0.000
+CH 1 80.000 2.750 0.000 0.000 0.000
+CH* 1 80.000 2.750 0.000 0.000 0.000
+C2H6 2 247.500 4.350 0.000 0.000 1.500
+C2H5 2 247.500 4.350 0.000 0.000 1.500
+C2H4 2 238.400 3.496 0.000 0.000 1.500
+C2H3 2 265.300 3.721 0.000 0.000 1.000
+C2H2 1 265.300 3.721 0.000 0.000 2.500
+C2H 1 265.300 3.721 0.000 0.000 2.500
+CH3CHO 2 436.000 3.970 0.000 0.000 2.000
+C2H3OH 2 470.600 4.410 0.000 0.000 1.500
+C2H2OH 2 224.700 4.162 0.000 0.000 1.000
+CH3CO 2 436.000 3.970 0.000 0.000 2.000
+CH2CHO 2 436.000 3.970 0.000 0.000 2.000
+O2CH2CHO 2 275.049 5.428 0.000 0.000 1.000
+HO2CH2CO 2 279.007 5.505 1.300 0.000 1.000
+CH2CO 2 436.000 3.970 0.000 0.000 2.000
+HCCO 2 150.000 2.500 0.000 0.000 1.000
+HCCOH 2 436.000 3.970 0.000 0.000 2.000
+CH3CO3H 2 436.000 3.970 0.000 0.000 2.000
+CH3CO3 2 436.000 3.970 0.000 0.000 2.000
+CH3CO2 2 436.000 3.970 0.000 0.000 2.000
+C2H5OH 2 470.600 4.410 0.000 0.000 1.500
+C2H5O 2 470.600 4.410 0.000 0.000 1.500
+PC2H4OH 2 470.600 4.410 0.000 0.000 1.500
+SC2H4OH 2 470.600 4.410 0.000 0.000 1.500
+O2C2H4OH 2 523.200 5.664 1.700 0.000 1.000
+C2H5O2H 2 470.600 4.410 0.000 0.000 1.500
+C2H5O2 2 470.600 4.410 0.000 0.000 1.500
+C2H4O2H 2 470.600 4.410 0.000 0.000 1.500
+C2H4O1-2 2 436.000 3.970 0.000 0.000 2.000
+C2H3O1-2 2 436.000 3.970 0.000 0.000 2.000
+CH3COCH3 2 435.500 4.860 0.000 0.000 1.000
+CH3COCH2 2 435.500 4.860 0.000 0.000 1.000
+CH3COCH2O2 2 502.115 5.429 0.000 0.000 0.000
+C3KET21 2 464.200 5.009 2.600 0.000 1.000
+C2H3CHO 2 428.800 4.958 2.900 0.000 1.000
+C2H3CO 2 443.200 4.120 0.000 0.000 1.000
+C2H5CHO 2 435.200 4.662 2.700 0.000 1.000
+C2H5CO 2 424.600 4.820 0.000 0.000 1.000
+CH3OCH3 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O2 2 395.000 4.037 1.300 0.000 1.000
+CH2OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+CH3OCH2O 2 395.000 4.037 1.300 0.000 1.000
+O2CH2OCH2O2H 2 395.000 4.037 1.300 0.000 1.000
+HO2CH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+OCH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+HOCH2OCO 2 395.000 4.037 1.300 0.000 1.000
+CH3OCHO 2 395.000 4.037 1.300 0.000 1.000
+CH3OCO 2 395.000 4.037 1.300 0.000 1.000
+CH2OCHO 2 395.000 4.037 1.300 0.000 1.000
+HE 0 10.200 2.576 0.000 0.000 0.000
+C3H8 2 303.400 4.810 0.000 0.000 1.000
+IC3H7 2 303.400 4.810 0.000 0.000 1.000
+NC3H7 2 303.400 4.810 0.000 0.000 1.000
+C3H6 2 307.800 4.140 0.000 0.000 1.000
+C3H5-A 2 316.000 4.220 0.000 0.000 1.000
+C3H5-S 2 316.000 4.220 0.000 0.000 1.000
+C3H5-T 2 316.000 4.220 0.000 0.000 1.000
+C3H4-P 1 324.800 4.290 0.000 0.000 1.000
+C3H4-A 1 324.800 4.290 0.000 0.000 1.000
+C3H3 1 324.800 4.290 0.000 0.000 1.000
+C3H5O 2 411.000 4.820 0.000 0.000 1.000
+C3H6OOH1-2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-3 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-1 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-2O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH1-3O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-1O2 2 435.200 4.662 2.700 0.000 1.000
+C3H6OOH2-2 2 436.400 5.352 0.000 0.000 1.000
+NC3H7O2H 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O2H 2 459.500 5.036 1.700 0.000 1.000
+NC3H7O2 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O2 2 459.500 5.036 1.700 0.000 1.000
+NC3H7O 2 481.500 4.997 1.700 0.000 1.000
+IC3H7O 2 459.500 5.036 1.700 0.000 1.000
+C3H6O1-2 2 403.600 4.968 2.000 0.000 1.000
+C3H6O1-3 2 403.600 4.968 2.000 0.000 1.000
+C3KET12 2 464.200 5.009 2.600 0.000 1.000
+C3KET13 2 464.200 5.009 2.600 0.000 1.000
+C3H51-2,3OOH 2 549.655 5.716 0.000 0.000 0.000
+C3H52-1,3OOH 2 549.655 5.716 0.000 0.000 0.000
+C3H6OH 2 487.900 4.820 0.000 0.000 1.000
+HOC3H6O2 2 487.900 4.820 0.000 0.000 1.000
+CH3CHCO 2 443.200 4.120 0.000 0.000 1.000
+AC3H5OOH 2 481.500 4.997 1.700 0.000 1.000
+C2H3OOH 2 436.000 3.970 0.000 0.000 2.000
+CC3H4 1 252.000 4.760 0.000 0.000 1.000
+H2CC 2 209.000 4.100 0.000 0.000 2.500
+C4H10 2 350.900 5.206 0.000 0.000 1.000
+C4H8-1 2 355.000 4.650 0.000 0.000 1.000
+C4H8-2 2 355.000 4.650 0.000 0.000 1.000
+PC4H9 2 352.000 5.240 0.000 0.000 1.000
+SC4H9 2 352.000 5.240 0.000 0.000 1.000
+C4H71-1 2 357.100 4.720 0.000 0.000 1.000
+C4H71-2 2 357.100 4.720 0.000 0.000 1.000
+C4H71-3 2 357.100 4.720 0.000 0.000 1.000
+C4H71-4 2 357.100 4.720 0.000 0.000 1.000
+C4H72-2 2 357.100 4.720 0.000 0.000 1.000
+C4H6 2 357.000 4.720 0.000 0.000 1.000
+PC4H9O2H 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O2H 2 496.000 5.200 0.000 0.000 1.000
+PC4H9O2 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O2 2 496.000 5.200 0.000 0.000 1.000
+PC4H9O 2 496.000 5.200 0.000 0.000 1.000
+SC4H9O 2 496.000 5.200 0.000 0.000 1.000
+C4H7O 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8O1-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8O2-3 2 496.000 5.200 0.000 0.000 1.000
+PC4H8OH 2 496.000 5.200 0.000 0.000 1.000
+SC4H8OH 2 496.000 5.200 0.000 0.000 1.000
+C4H8OH-1O2 2 502.200 5.356 1.800 0.000 1.000
+C4H8OH-2O2 2 502.200 5.356 1.800 0.000 1.000
+C4H8OOH1-1 2 549.655 5.716 0.000 0.000 0.000
+C4H8OOH1-2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-1 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-2 2 549.655 5.716 0.000 0.000 0.000
+C4H8OOH2-3 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-4 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-2O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-3O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH1-4O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-1O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-3O2 2 496.000 5.200 0.000 0.000 1.000
+C4H8OOH2-4O2 2 496.000 5.200 0.000 0.000 1.000
+NC4KET12 2 476.000 5.778 2.600 0.000 1.000
+NC4KET13 2 476.000 5.778 2.600 0.000 1.000
+NC4KET14 2 476.000 5.778 2.600 0.000 1.000
+NC4KET21 2 476.000 5.778 2.600 0.000 1.000
+NC4KET23 2 476.000 5.778 2.600 0.000 1.000
+NC4KET24 2 476.000 5.778 2.600 0.000 1.000
+C2H5COCH3 2 454.000 5.413 3.300 0.000 1.000
+C2H5COCH2 2 454.000 5.413 3.300 0.000 1.000
+CH2CH2COCH3 2 440.584 5.040 0.000 0.000 0.000
+CH3CHCOCH3 2 440.584 5.040 0.000 0.000 0.000
+C2H3COCH3 2 454.000 5.413 3.300 0.000 1.000
+CH3CHOOCOCH3 2 546.562 5.698 0.000 0.000 0.000
+CH2CHOOHCOCH3 2 546.562 5.698 0.000 0.000 0.000
+NC3H7CHO 2 464.200 5.009 2.600 0.000 1.000
+NC3H7CO 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-1 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-2 2 464.200 5.009 2.600 0.000 1.000
+C3H6CHO-3 2 464.200 5.009 2.600 0.000 1.000
+C2H5CHCO 2 436.950 5.016 0.000 0.000 0.000
+SC3H5CHO 2 464.200 5.009 2.600 0.000 1.000
+SC3H5CO 2 464.200 5.009 2.600 0.000 1.000
+CH2CH2CHO 2 424.600 4.820 0.000 0.000 1.000
+IC4H10 2 335.700 5.208 0.100 0.000 1.000
+IC4H9 2 352.000 5.240 0.000 0.000 1.000
+TC4H9 2 352.000 5.240 0.000 0.000 1.000
+IC4H8 2 344.500 5.089 0.500 0.000 1.000
+IC4H7 2 355.000 4.650 0.000 0.000 1.000
+TC4H9O2 2 502.252 5.430 0.000 0.000 0.000
+IC4H9O2 2 502.252 5.430 0.000 0.000 0.000
+TC4H8O2H-I 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O2H-I 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O2H-T 2 502.200 5.356 1.800 0.000 1.000
+IC4H8O 2 436.400 5.352 0.000 0.000 1.000
+CC4H8O 2 444.197 5.063 0.000 0.000 0.000
+IC4H9O 2 496.000 5.200 0.000 0.000 1.000
+TC4H9O 2 496.000 5.200 0.000 0.000 1.000
+IC4H9O2H 2 505.540 5.450 0.000 0.000 0.000
+TC4H9O2H 2 505.540 5.450 0.000 0.000 0.000
+IC4H7O 2 496.000 5.200 0.000 0.000 1.000
+IC4H8OH 2 496.000 5.200 0.000 0.000 1.000
+IO2C4H8OH 2 496.000 5.200 0.000 0.000 1.000
+IC3H7CHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6CHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H7CO 2 436.400 5.352 0.000 0.000 1.000
+IC3H6CHO 2 436.400 5.352 0.000 0.000 1.000
+TC4H8OOH-IO2 2 600.078 6.009 0.000 0.000 0.000
+IC4H8OOH-IO2 2 600.078 6.009 0.000 0.000 0.000
+IC4H8OOH-TO2 2 600.078 6.009 0.000 0.000 0.000
+IC4KETII 2 549.655 5.716 0.000 0.000 0.000
+IC4KETIT 2 549.655 5.716 0.000 0.000 0.000
+IC4H7OH 2 502.200 5.356 1.800 0.000 1.000
+IC4H6OH 2 502.200 5.356 1.800 0.000 1.000
+IC3H5CHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H5CO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6OCHO 2 436.400 5.352 0.000 0.000 1.000
+IC3H6CO 2 436.400 5.352 0.000 0.000 1.000
+IC4H7OOH 2 436.400 5.352 0.000 0.000 1.000
+TC3H6OHCHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6OH 2 459.500 5.036 1.700 0.000 1.000
+IC3H5OH 2 459.500 5.036 1.700 0.000 1.000
+TC3H6O2CHO 2 436.400 5.352 0.000 0.000 1.000
+TC3H6O2HCO 2 436.400 5.352 0.000 0.000 1.000
+IC3H5O2HCHO 2 436.400 5.352 0.000 0.000 1.000
+CH2CCH2OH 2 481.500 4.997 1.700 0.000 1.000
+TC4H8CHO 2 476.000 5.778 2.600 0.000 1.000
+O2C4H8CHO 2 588.531 5.942 0.000 0.000 0.000
+O2HC4H8CO 2 588.531 5.942 0.000 0.000 0.000
+C3H5OH 2 481.500 4.997 1.700 0.000 1.000
+TIC4H7Q2-I 2 600.078 6.009 0.000 0.000 0.000
+IIC4H7Q2-T 2 600.078 6.009 0.000 0.000 0.000
+IIC4H7Q2-I 2 600.078 6.009 0.000 0.000 0.000
+CH2O2H 2 238.400 3.496 0.000 0.000 1.500
+C4H4 2 357.000 5.180 0.000 0.000 1.000
+C4H3-I 2 357.000 5.180 0.000 0.000 1.000
+NC4H3 2 357.000 5.180 0.000 0.000 1.000
+CH2CCHCH3 2 357.000 5.180 0.000 0.000 1.000
+C4H2 1 357.000 4.720 0.000 0.000 1.000
+C4H5 2 357.000 5.180 0.000 0.000 1.000
+NC4H5 2 357.000 5.180 0.000 0.000 1.000
+AC3H5CO 1 357.000 5.180 0.000 0.000 1.000
+CXOCXCCJ 1 357.000 5.180 0.000 0.000 1.000
+C4H6O25 1 357.000 5.180 0.000 0.000 1.000
+C2H3CHOCH2 1 357.000 5.180 0.000 0.000 1.000
+C4H5-2 2 357.000 5.180 0.000 0.000 1.000
+C4H6-2 2 357.000 5.180 0.000 0.000 1.000
+C4H6O23 1 357.000 5.180 0.000 0.000 1.000
+AC3H5CHO 1 357.000 5.180 0.000 0.000 1.000
+C4H4O 1 357.000 5.180 0.000 0.000 1.000
+H2C4O 2 357.000 5.180 0.000 0.000 1.000
+C6H6 2 468.500 5.230 0.000 10.300 1.000
+CXCCJCXC 2 408.000 5.200 0.000 0.000 1.000
+CY13PD 1 408.000 5.200 0.000 0.000 1.000
+C6H5 2 412.300 5.349 0.000 0.000 1.000
+C6H2 1 408.000 5.200 0.000 0.000 1.000
+C6H3 2 357.000 5.180 0.000 0.000 1.000
+L-C6H4 2 412.300 5.349 0.000 0.000 1.000
+C-C6H4 2 464.800 5.290 0.000 10.320 0.000
+C6H5OJ 2 450.000 5.500 0.000 0.000 1.000
+C6H5OH 2 450.000 5.500 0.000 0.000 1.000
+OC6H4O 2 450.000 5.500 0.000 0.000 1.000
+O-C6H4O2 2 450.000 5.500 0.000 0.000 1.000
+P-C6H3O2 2 450.000 5.500 0.000 0.000 1.000
+CY13PD5J 1 408.000 5.200 0.000 0.000 1.000
+CYPDONE 2 450.000 5.500 0.000 0.000 1.000
+CYC5H5OJ 2 450.000 5.500 0.000 0.000 1.000
+CYC5H5OH 2 450.000 5.500 0.000 0.000 1.000
+CYC5H4OH 2 450.000 5.500 0.000 0.000 1.000
+CPDJONE 2 511.398 5.357 0.000 0.000 1.000
+C6H5O2 2 464.800 5.290 0.000 10.320 0.000
+C6H5OOH 2 464.800 5.290 0.000 10.320 0.000
+OC6H4OH 2 621.100 5.640 0.000 0.000 1.000
+C6H4OH 2 464.800 5.290 0.000 10.320 0.000
+YOC6JDO 2 450.000 5.500 0.000 0.000 1.000
+P-OC6H5OJ 2 450.000 5.500 0.000 0.000 1.000
+CJCXCC#C 2 408.000 5.200 0.000 0.000 1.000
+C5H6-L 2 408.000 5.200 0.000 0.000 1.000
+OXCCXCCXCJ 2 523.200 5.664 1.700 0.000 1.000
+OXCJCXCCXC 2 523.200 5.664 1.700 0.000 1.000
+CJXCCXO 2 443.200 4.120 0.000 0.000 1.000
+CYC5H7U1 2 408.000 5.200 0.000 0.000 1.000
+CXOCCCJCXO 2 496.000 5.200 0.000 0.000 1.000
+C*CCJC*COH 2 523.200 5.664 1.700 0.000 1.000
+CXCCXCCJ 2 408.000 5.200 0.000 0.000 1.000
+CXCCXCC 2 408.000 5.200 0.000 0.000 1.000
+CXCCXCCOH 2 523.200 5.664 1.700 0.000 1.000
+C2H3CHCHO 2 502.200 5.356 1.800 0.000 1.000
+CXOCCCXO 2 496.000 5.200 0.000 0.000 1.000
+CXOCCCJXO 2 496.000 5.200 0.000 0.000 1.000
+HOCO 2 498.000 3.590 0.000 0.000 2.000
+HOC*CC*O 2 435.200 4.662 2.700 0.000 1.000
+HOC*CCJ*O 2 435.200 4.662 2.700 0.000 1.000
+DHCO2J 2 470.600 4.410 0.000 0.000 1.500
+PBZ 2 546.200 6.000 0.130 15.000 1.000
+PBZJA 2 523.600 5.960 0.000 0.000 1.000
+PBZJB 2 523.600 5.960 0.000 0.000 1.000
+PBZJC 2 523.600 5.960 0.000 0.000 1.000
+CR4 2 523.600 5.960 0.000 0.000 1.000
+C6H5C3H4 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H4HCO 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H4CO 2 523.600 5.960 0.000 0.000 1.000
+C6H5C2H2HCO 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C3H5OHA 2 523.600 5.960 0.000 0.000 1.000
+AC6H5C3H5OHB 2 523.600 5.960 0.000 0.000 1.000
+CC6H5C3H5OHB 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C3H5OHC 2 523.600 5.960 0.000 0.000 1.000
+PBZOHAQJB 2 523.600 5.960 0.000 0.000 1.000
+PBZOHBQJA 2 523.600 5.960 0.000 0.000 1.000
+PBZOHBQJC 2 523.600 5.960 0.000 0.000 1.000
+PBZOHCQJB 2 523.600 5.960 0.000 0.000 1.000
+COC6H5C3H4-1 2 523.600 5.960 0.000 0.000 1.000
+AOC6H5C3H4-2 2 523.600 5.960 0.000 0.000 1.000
+CH3C6H4C2H3 2 523.600 5.960 0.000 0.000 1.000
+HCOHCO 1 440.200 4.010 0.000 0.000 2.000
+PBZAOO 2 523.600 5.960 0.000 0.000 1.000
+PBZBOO 2 523.600 5.960 0.000 0.000 1.000
+PBZCOO 2 523.600 5.960 0.000 0.000 1.000
+CYCLO4 2 523.600 5.960 0.000 0.000 1.000
+CYC3AB 2 523.600 5.960 0.000 0.000 1.000
+CYC3CB 2 523.600 5.960 0.000 0.000 1.000
+PBOOHA-B 2 523.600 5.960 0.000 0.000 1.000
+PBOOHAOOB 2 523.600 5.960 0.000 0.000 1.000
+PBKETAB 2 523.600 5.960 0.000 0.000 1.000
+PBOOHA-C 2 523.600 5.960 0.000 0.000 1.000
+PBOOHAOOC 2 523.600 5.960 0.000 0.000 1.000
+PBKETAC 2 523.600 5.960 0.000 0.000 1.000
+PBOOHB-A 2 523.600 5.960 0.000 0.000 1.000
+PBOOHBOOA 2 523.600 5.960 0.000 0.000 1.000
+PBKETBA 2 523.600 5.960 0.000 0.000 1.000
+PBOOHB-C 2 523.600 5.960 0.000 0.000 1.000
+PBOOHBOOC 2 523.600 5.960 0.000 0.000 1.000
+PBKETBC 2 523.600 5.960 0.000 0.000 1.000
+PBOOHC-A 2 523.600 5.960 0.000 0.000 1.000
+PBOOHCOOA 2 523.600 5.960 0.000 0.000 1.000
+PBKETCA 2 523.600 5.960 0.000 0.000 1.000
+PBOOHC-B 2 523.600 5.960 0.000 0.000 1.000
+PBOOHCOOB 2 523.600 5.960 0.000 0.000 1.000
+PBKETCB 2 523.600 5.960 0.000 0.000 1.000
+PBOJ 2 523.600 5.960 0.000 0.000 1.000
+PBO 2 523.600 5.960 0.000 0.000 1.000
+PBENOOH 2 523.600 5.960 0.000 0.000 1.000
+AC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+CC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+DC6H5C4H8 2 523.600 5.960 0.000 0.000 1.000
+BC6H5C4H6-3 2 523.600 5.960 0.000 0.000 1.000
+CC6H5C4H6-1 2 523.600 5.960 0.000 0.000 1.000
+DC6H5C4H6-1 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H5 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJA 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJB 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8OJD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJA 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJB 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H8QJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQA 2 523.600 5.960 0.000 0.000 1.000
+BBZQB 2 523.600 5.960 0.000 0.000 1.000
+BBZQC 2 523.600 5.960 0.000 0.000 1.000
+BBZQD 2 523.600 5.960 0.000 0.000 1.000
+BBZQDRC 2 523.600 5.960 0.000 0.000 1.000
+BBZQDRB 2 523.600 5.960 0.000 0.000 1.000
+BBZQDRA 2 523.600 5.960 0.000 0.000 1.000
+BBZQCRD 2 523.600 5.960 0.000 0.000 1.000
+BBZQCRB 2 523.600 5.960 0.000 0.000 1.000
+BBZQCRA 2 523.600 5.960 0.000 0.000 1.000
+BBZQBRD 2 523.600 5.960 0.000 0.000 1.000
+BBZQBRC 2 523.600 5.960 0.000 0.000 1.000
+BBZQBRA 2 523.600 5.960 0.000 0.000 1.000
+BBZQARD 2 523.600 5.960 0.000 0.000 1.000
+BBZQARC 2 523.600 5.960 0.000 0.000 1.000
+BBZQARB 2 523.600 5.960 0.000 0.000 1.000
+BBZQDQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZQDQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZQDQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZQCQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQCQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZQCQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZQBQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQBQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZQBQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZQAQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZQAQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZQAQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZOCQD 2 523.600 5.960 0.000 0.000 1.000
+BBZOBQD 2 523.600 5.960 0.000 0.000 1.000
+BBZOAQD 2 523.600 5.960 0.000 0.000 1.000
+BBZODQC 2 523.600 5.960 0.000 0.000 1.000
+BBZOBQC 2 523.600 5.960 0.000 0.000 1.000
+BBZOAQC 2 523.600 5.960 0.000 0.000 1.000
+BBZODQB 2 523.600 5.960 0.000 0.000 1.000
+BBZOCQB 2 523.600 5.960 0.000 0.000 1.000
+BBZOAQB 2 523.600 5.960 0.000 0.000 1.000
+BBZODQA 2 523.600 5.960 0.000 0.000 1.000
+BBZOCQA 2 523.600 5.960 0.000 0.000 1.000
+BBZOBQA 2 523.600 5.960 0.000 0.000 1.000
+BBZOHDRC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCRD 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCRB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBRC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHARB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBRA 2 523.600 5.960 0.000 0.000 1.000
+BBZOHDQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCQJD 2 523.600 5.960 0.000 0.000 1.000
+BBZOHCQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBQJC 2 523.600 5.960 0.000 0.000 1.000
+BBZOHAQJB 2 523.600 5.960 0.000 0.000 1.000
+BBZOHBQJA 2 523.600 5.960 0.000 0.000 1.000
+BBZE3OJB 2 523.600 5.960 0.000 0.000 1.000
+BBZE1OJC 2 523.600 5.960 0.000 0.000 1.000
+BBZE1OJD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-AB 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-AC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-AD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-BC 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-BD 2 523.600 5.960 0.000 0.000 1.000
+C6H5C4H7O-CD 2 523.600 5.960 0.000 0.000 1.000
+C6H4C2H 2 534.300 5.710 0.000 0.000 1.000
+A1C2HAC 2 676.500 6.310 0.000 20.000 1.000
+A2-X 2 630.400 6.180 0.000 16.500 1.000
+A2O 2 630.400 6.180 0.000 16.500 1.000
+A1C2H3AC 2 546.200 6.000 0.130 15.000 1.000
+INDENYL 2 588.600 5.960 0.000 0.000 1.000
+INDENOXY 2 546.200 6.000 0.130 15.000 1.000
+PHENA 2 772.000 6.960 0.000 38.800 1.000
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+!!!!! !!!!!
+!!!!! LLNL TRANSPORT !!!!!
+!!!!! !!!!!
+!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!!
+CH3COCH2O2H 2 505.403 5.449 0.000 0.000 0.000
+CH3COCH2O 2 447.639 5.086 0.000 0.000 0.000
+NC5H12 2 391.700 5.591 0.000 0.000 1.000
+C5H11-1 2 440.735 5.041 0.000 0.000 0.000
+C5H11-2 2 440.735 5.041 0.000 0.000 0.000
+C5H11-3 2 440.735 5.041 0.000 0.000 0.000
+C5H10-1 2 386.200 5.489 0.400 0.000 1.000
+C5H10-2 2 396.800 5.458 0.000 0.000 1.000
+C5H81-3 2 408.000 5.200 0.000 0.000 1.000
+C5H91-3 2 396.800 5.458 0.000 0.000 1.000
+C5H91-4 2 396.800 5.458 0.000 0.000 1.000
+C5H91-5 2 396.800 5.458 0.000 0.000 1.000
+C5H92-4 2 396.800 5.458 0.000 0.000 1.000
+C5H92-5 2 396.800 5.458 0.000 0.000 1.000
+C5H9O1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H9O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2H-3 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-1 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-2 2 523.200 5.664 1.700 0.000 1.000
+C5H11O-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-5 2 546.691 5.698 0.000 0.000 0.000
+C5H10OOH2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-2 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10O1-5 2 523.200 5.664 1.700 0.000 1.000
+C5H10O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H10O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-2O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH1-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-1O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH2-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-1O2 2 523.200 5.664 1.700 0.000 1.000
+C5H10OOH3-2O2 2 523.200 5.664 1.700 0.000 1.000
+NC5KET12 2 494.800 6.174 1.800 0.000 1.000
+NC5KET13 2 494.800 6.174 1.800 0.000 1.000
+NC5KET14 2 494.800 6.174 1.800 0.000 1.000
+NC5KET15 2 494.800 6.174 1.800 0.000 1.000
+NC5KET21 2 494.800 6.174 1.800 0.000 1.000
+NC5KET23 2 494.800 6.174 1.800 0.000 1.000
+NC5KET24 2 494.800 6.174 1.800 0.000 1.000
+NC5KET25 2 494.800 6.174 1.800 0.000 1.000
+NC5KET31 2 494.800 6.174 1.800 0.000 1.000
+NC5KET32 2 494.800 6.174 1.800 0.000 1.000
+C5H10OH-1 2 523.200 5.664 1.700 0.000 1.000
+C5H10OH-2 2 523.200 5.664 1.700 0.000 1.000
+O2C5H10OH-1 2 588.653 5.943 0.000 0.000 0.000
+O2C5H10OH-2 2 588.653 5.943 0.000 0.000 0.000
+NC6H14 2 427.400 5.946 0.000 0.000 1.000
+C6H13-1 2 489.224 5.349 0.000 0.000 0.000
+C6H13-2 2 489.224 5.349 0.000 0.000 0.000
+C6H13-3 2 489.224 5.349 0.000 0.000 0.000
+C6H12-1 2 485.857 5.328 0.000 0.000 0.000
+C6H12-2 2 485.857 5.328 0.000 0.000 0.000
+C6H12-3 2 485.857 5.328 0.000 0.000 0.000
+C6H111-3 2 482.473 5.307 0.000 0.000 0.000
+C6H111-4 2 482.473 5.307 0.000 0.000 0.000
+C6H111-5 2 482.473 5.307 0.000 0.000 0.000
+C6H111-6 2 482.473 5.307 0.000 0.000 0.000
+C6H112-4 2 482.473 5.307 0.000 0.000 0.000
+C6H112-5 2 482.473 5.307 0.000 0.000 0.000
+C6H112-6 2 482.473 5.307 0.000 0.000 0.000
+C6H113-1 2 482.473 5.307 0.000 0.000 0.000
+C6H11O1-3 2 541.500 5.674 1.800 0.000 1.000
+C6H11O2-4 2 541.500 5.674 1.800 0.000 1.000
+C6H12O1-2 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-3 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-4 2 537.467 5.643 0.000 0.000 0.000
+C6H12O1-5 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-3 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-4 2 537.467 5.643 0.000 0.000 0.000
+C6H12O2-5 2 537.467 5.643 0.000 0.000 0.000
+C6H12O3-4 2 537.467 5.643 0.000 0.000 0.000
+C6H13O2H-1 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2H-2 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2H-3 2 591.585 5.960 0.000 0.000 0.000
+C6H13O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H13O2-2 2 588.653 5.943 0.000 0.000 0.000
+C6H13O2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-2 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-1 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-2 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-4 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-5 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH3-6 2 588.653 5.943 0.000 0.000 0.000
+C6H12OOH1-2O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH1-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH2-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-2O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H12OOH3-6O2 2 677.149 6.436 0.000 0.000 0.000
+NC6KET12 2 467.000 6.548 1.800 0.000 1.000
+NC6KET13 2 467.000 6.548 1.800 0.000 1.000
+NC6KET14 2 467.000 6.548 1.800 0.000 1.000
+NC6KET15 2 467.000 6.548 1.800 0.000 1.000
+NC6KET21 2 467.000 6.548 1.800 0.000 1.000
+NC6KET23 2 467.000 6.548 1.800 0.000 1.000
+NC6KET24 2 467.000 6.548 1.800 0.000 1.000
+NC6KET25 2 467.000 6.548 1.800 0.000 1.000
+NC6KET26 2 467.000 6.548 1.800 0.000 1.000
+NC6KET31 2 467.000 6.548 1.800 0.000 1.000
+NC6KET32 2 467.000 6.548 1.800 0.000 1.000
+NC6KET34 2 467.000 6.548 1.800 0.000 1.000
+NC6KET35 2 467.000 6.548 1.800 0.000 1.000
+NC6KET36 2 467.000 6.548 1.800 0.000 1.000
+C6H13O-1 2 540.597 5.662 0.000 0.000 0.000
+C6H13O-2 2 540.597 5.662 0.000 0.000 0.000
+C6H13O-3 2 540.597 5.662 0.000 0.000 0.000
+C6H12OH-1 2 541.500 5.674 1.800 0.000 1.000
+C6H12OH-2 2 541.500 5.674 1.800 0.000 1.000
+C6H12OH-3 2 541.500 5.674 1.800 0.000 1.000
+O2C6H12OH-1 2 561.000 6.317 1.700 0.000 1.000
+O2C6H12OH-2 2 561.000 6.317 1.700 0.000 1.000
+O2C6H12OH-3 2 561.000 6.317 1.700 0.000 1.000
+NC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+NC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-1 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-3 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO-4 2 476.000 5.778 2.600 0.000 1.000
+NC3H7COCH3 2 477.000 5.735 2.500 0.000 1.000
+NC3H7COCH2 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-1 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-2 2 489.084 5.348 0.000 0.000 0.000
+C3H6COCH3-3 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H5 2 476.700 5.714 2.700 0.000 1.000
+C2H5COC2H4P 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H4S 2 489.084 5.348 0.000 0.000 0.000
+C2H5COC2H3 2 476.700 5.714 2.700 0.000 1.000
+PC2H4COC2H3 2 476.700 5.714 2.700 0.000 1.000
+SC2H4COC2H3 2 476.700 5.714 2.700 0.000 1.000
+NC7H16 2 459.600 6.253 0.000 0.000 1.000
+C7H15-1 2 459.600 6.253 0.000 0.000 1.000
+C7H15-2 2 459.600 6.253 0.000 0.000 1.000
+C7H15-3 2 459.600 6.253 0.000 0.000 1.000
+C7H15-4 2 459.600 6.253 0.000 0.000 1.000
+C7H14-1 2 457.800 6.173 0.300 0.000 1.000
+C7H14-2 2 457.800 6.173 0.300 0.000 1.000
+C7H14-3 2 457.800 6.173 0.300 0.000 1.000
+C7H131-3 2 457.800 6.173 0.300 0.000 1.000
+C7H131-4 2 457.800 6.173 0.300 0.000 1.000
+C7H131-5 2 457.800 6.173 0.300 0.000 1.000
+C7H131-6 2 457.800 6.173 0.300 0.000 1.000
+C7H131-7 2 457.800 6.173 0.300 0.000 1.000
+C7H132-4 2 457.800 6.173 0.300 0.000 1.000
+C7H132-5 2 457.800 6.173 0.300 0.000 1.000
+C7H132-6 2 457.800 6.173 0.300 0.000 1.000
+C7H132-7 2 457.800 6.173 0.300 0.000 1.000
+C7H133-1 2 457.800 6.173 0.300 0.000 1.000
+C7H133-5 2 457.800 6.173 0.300 0.000 1.000
+C7H133-6 2 457.800 6.173 0.300 0.000 1.000
+C7H133-7 2 457.800 6.173 0.300 0.000 1.000
+C7H13O1-3 2 561.000 6.317 1.700 0.000 1.000
+C7H13O2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H13O3-5 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O2H-4 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-1 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-2 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-3 2 561.000 6.317 1.700 0.000 1.000
+C7H15O-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH2-6 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-4 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-5 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-6 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH3-7 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH4-3 2 561.000 6.317 1.700 0.000 1.000
+C7H14OOH1-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH1-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH2-6O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-4O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-5O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-6O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH3-7O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-1O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-2O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14OOH4-3O2 2 600.600 7.229 1.800 0.000 1.000
+C7H14O1-2 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-3 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O1-5 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-3 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-5 2 511.500 6.297 0.000 0.000 1.000
+C7H14O2-6 2 511.500 6.297 0.000 0.000 1.000
+C7H14O3-4 2 511.500 6.297 0.000 0.000 1.000
+C7H14O3-5 2 511.500 6.297 0.000 0.000 1.000
+NC7KET12 2 581.300 6.506 2.000 0.000 1.000
+NC7KET13 2 581.300 6.506 2.000 0.000 1.000
+NC7KET14 2 581.300 6.506 2.000 0.000 1.000
+NC7KET15 2 581.300 6.506 2.000 0.000 1.000
+NC7KET21 2 581.300 6.506 2.000 0.000 1.000
+NC7KET23 2 581.300 6.506 2.000 0.000 1.000
+NC7KET24 2 581.300 6.506 2.000 0.000 1.000
+NC7KET25 2 581.300 6.506 2.000 0.000 1.000
+NC7KET26 2 581.300 6.506 2.000 0.000 1.000
+NC7KET31 2 581.300 6.506 2.000 0.000 1.000
+NC7KET32 2 581.300 6.506 2.000 0.000 1.000
+NC7KET34 2 581.300 6.506 2.000 0.000 1.000
+NC7KET35 2 581.300 6.506 2.000 0.000 1.000
+NC7KET36 2 581.300 6.506 2.000 0.000 1.000
+NC7KET37 2 581.300 6.506 2.000 0.000 1.000
+NC7KET41 2 581.300 6.506 2.000 0.000 1.000
+NC7KET42 2 581.300 6.506 2.000 0.000 1.000
+NC7KET43 2 581.300 6.506 2.000 0.000 1.000
+C7H14OH-1 2 561.000 6.317 1.700 0.000 1.000
+C7H14OH-2 2 561.000 6.317 1.700 0.000 1.000
+C7H14OH-3 2 561.000 6.317 1.700 0.000 1.000
+O2C7H14OH-1 2 677.149 6.436 0.000 0.000 0.000
+O2C7H14OH-2 2 677.149 6.436 0.000 0.000 0.000
+O2C7H14OH-3 2 677.149 6.436 0.000 0.000 0.000
+NC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+NC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO-1 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-2 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-3 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-4 2 534.323 5.625 0.000 0.000 0.000
+C5H10CHO-5 2 534.323 5.625 0.000 0.000 0.000
+C4H7CHO1-4 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-4 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-43 2 482.331 5.306 0.000 0.000 0.000
+C4H6CHO1-44 2 482.331 5.306 0.000 0.000 0.000
+NC4H9COCH3 2 537.467 5.643 0.000 0.000 0.000
+NC4H9COCH2 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-1 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-2 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-3 2 534.323 5.625 0.000 0.000 0.000
+C4H8COCH3-4 2 534.323 5.625 0.000 0.000 0.000
+C4H7OOH1-4 2 523.200 5.664 1.700 0.000 1.000
+C4H7O1-4 2 476.000 5.778 2.600 0.000 1.000
+C5H9OOH1-4 2 543.585 5.680 0.000 0.000 0.000
+C5H9O1-4 2 489.084 5.348 0.000 0.000 0.000
+C5H9OOH1-5 2 543.585 5.680 0.000 0.000 0.000
+C5H9O1-5 2 489.084 5.348 0.000 0.000 0.000
+C6H11OOH1-4 2 561.000 6.317 1.700 0.000 1.000
+C6H11O1-4 2 541.500 5.674 1.800 0.000 1.000
+C6H11OOH1-5 2 561.000 6.317 1.700 0.000 1.000
+C6H11O1-5 2 541.500 5.674 1.800 0.000 1.000
+C5H91-1 2 396.800 5.458 0.000 0.000 1.000
+C4H7CHO1-1 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-1 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-14 2 482.331 5.306 0.000 0.000 0.000
+C4H6CHO1-13 2 482.331 5.306 0.000 0.000 0.000
+NC3H7COC2H5 2 537.467 5.643 0.000 0.000 0.000
+C3H6COC2H5-1 2 534.323 5.625 0.000 0.000 0.000
+C3H6COC2H5-2 2 534.323 5.625 0.000 0.000 0.000
+C3H6COC2H5-3 2 534.323 5.625 0.000 0.000 0.000
+NC3H7COC2H4P 2 534.323 5.625 0.000 0.000 0.000
+NC3H7COC2H4S 2 534.323 5.625 0.000 0.000 0.000
+CHCHCHO 2 443.200 4.120 0.000 0.000 1.000
+C6H101-3 2 426.300 5.510 0.000 0.000 1.000
+C6H101-4 2 426.300 5.510 0.000 0.000 1.000
+C6H101-5 2 426.300 5.510 0.000 0.000 1.000
+C6H102-4 2 426.300 5.510 0.000 0.000 1.000
+ETES1 2 537.467 5.643 0.000 0.000 0.000
+MVOX 2 537.467 5.643 0.000 0.000 0.000
+VTHF 2 537.467 5.643 0.000 0.000 0.000
+EDHF 2 537.467 5.643 0.000 0.000 0.000
+C6H111O2H-4 2 591.585 5.960 0.000 0.000 0.000
+C6H111O2H-5 2 591.585 5.960 0.000 0.000 0.000
+C6H111O2H-6 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-4 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-5 2 591.585 5.960 0.000 0.000 0.000
+C6H112O2H-6 2 591.585 5.960 0.000 0.000 0.000
+C6H113O2H-2 2 591.585 5.960 0.000 0.000 0.000
+C6H113O2H-1 2 591.585 5.960 0.000 0.000 0.000
+NC6D1KET34 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET35 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET36 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET43 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET45 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET46 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET53 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET54 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET56 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET63 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET64 2 467.000 6.548 1.800 0.000 1.000
+NC6D1KET65 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET45 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET46 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET54 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET56 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET64 2 467.000 6.548 1.800 0.000 1.000
+NC6D2KET65 2 467.000 6.548 1.800 0.000 1.000
+NC6D3KET12 2 467.000 6.548 1.800 0.000 1.000
+NC6D3KET21 2 467.000 6.548 1.800 0.000 1.000
+C6H112O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-3 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H111O2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-4 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-5 2 588.653 5.943 0.000 0.000 0.000
+C6H112O2-6 2 588.653 5.943 0.000 0.000 0.000
+C6H113O2-1 2 588.653 5.943 0.000 0.000 0.000
+C6H113O2-2 2 588.653 5.943 0.000 0.000 0.000
+C6H101OOH3-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH4-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH5-6 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-3 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-4 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH6-5 2 591.585 5.960 0.000 0.000 0.000
+C6H101OOH3-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH3-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH3-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH4-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH5-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-3O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H101OOH6-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-4 2 591.585 5.960 0.000 0.000 0.000
+C6H103OOH1-2 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-5 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-6 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH5-6 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH6-4 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH6-5 2 591.585 5.960 0.000 0.000 0.000
+C6H103OOH2-1 2 591.585 5.960 0.000 0.000 0.000
+C6H102OOH4-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH4-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH5-6O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH6-4O2 2 677.149 6.436 0.000 0.000 0.000
+C6H102OOH6-5O2 2 677.149 6.436 0.000 0.000 0.000
+C6H103OOH2-1O2 2 677.149 6.436 0.000 0.000 0.000
+C6H103OOH1-2O2 2 677.149 6.436 0.000 0.000 0.000
+C2H3COC3H7 2 541.500 5.674 1.800 0.000 1.000
+C5H81-4 2 386.200 5.489 0.400 0.000 1.000
+C5H91O2-3 2 523.200 5.664 1.700 0.000 1.000
+C5H91O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H91O2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-4 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-3 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-5 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-4 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-3 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-1 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-4O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH3-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH4-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-3O2 2 523.200 5.664 1.700 0.000 1.000
+C5H81OOH5-4O2 2 523.200 5.664 1.700 0.000 1.000
+NC5D1KET34 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET35 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET43 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET45 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET53 2 494.800 6.174 1.800 0.000 1.000
+NC5D1KET54 2 494.800 6.174 1.800 0.000 1.000
+CY3C5H8O 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-4 2 523.200 5.664 1.700 0.000 1.000
+C5H92O2-5 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH4-5 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH5-4 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH4-5O2 2 523.200 5.664 1.700 0.000 1.000
+C5H82OOH5-4O2 2 523.200 5.664 1.700 0.000 1.000
+NC5D2KET45 2 494.800 6.174 1.800 0.000 1.000
+NC5D2KET54 2 494.800 6.174 1.800 0.000 1.000
+IC5H12 2 382.100 5.548 0.000 0.000 1.000
+AC5H11 2 440.735 5.041 0.000 0.000 0.000
+BC5H11 2 440.735 5.041 0.000 0.000 0.000
+CC5H11 2 440.735 5.041 0.000 0.000 0.000
+DC5H11 2 440.735 5.041 0.000 0.000 0.000
+AC5H10 2 386.600 5.532 0.500 0.000 1.000
+BC5H10 2 391.400 5.550 0.000 0.000 1.000
+CC5H10 2 437.102 5.017 0.000 0.000 0.000
+AC5H9-A2 2 386.600 5.532 0.500 0.000 1.000
+AC5H9-C 2 386.600 5.532 0.500 0.000 1.000
+AC5H9-D 2 386.600 5.532 0.500 0.000 1.000
+CC5H9-A 2 386.600 5.532 0.500 0.000 1.000
+CC5H9-B 2 386.600 5.532 0.500 0.000 1.000
+AC5H9O-A2 2 430.100 5.833 0.000 0.000 1.000
+AC5H9O-C 2 430.100 5.833 0.000 0.000 1.000
+CC5H9O-B 2 397.900 5.767 0.000 0.000 1.000
+AC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+BC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+CC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+DC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+AC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+BC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+CC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+DC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+AC5H11O 2 523.200 5.664 1.700 0.000 1.000
+BC5H11O 2 523.200 5.664 1.700 0.000 1.000
+CC5H11O 2 523.200 5.664 1.700 0.000 1.000
+DC5H11O 2 523.200 5.664 1.700 0.000 1.000
+AC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+AC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+BC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+CC5H10OOH-D 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-A 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-B 2 546.691 5.698 0.000 0.000 0.000
+DC5H10OOH-C 2 546.691 5.698 0.000 0.000 0.000
+A-AC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-BC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-CC5H10O 2 492.434 5.369 0.000 0.000 0.000
+A-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+B-CC5H10O 2 492.434 5.369 0.000 0.000 0.000
+B-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+C-DC5H10O 2 492.434 5.369 0.000 0.000 0.000
+AC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+AC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+BC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+CC5H10OOH-DO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-AO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-BO2 2 639.455 6.230 0.000 0.000 0.000
+DC5H10OOH-CO2 2 639.455 6.230 0.000 0.000 0.000
+IC5KETAA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAC 2 591.463 5.959 0.000 0.000 0.000
+IC5KETAD 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETCD 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDA 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDB 2 591.463 5.959 0.000 0.000 0.000
+IC5KETDC 2 591.463 5.959 0.000 0.000 0.000
+AC5H10OH 2 430.100 5.833 0.000 0.000 1.000
+BC5H10OH 2 397.900 5.767 0.000 0.000 1.000
+CC5H10OH 2 397.900 5.767 0.000 0.000 1.000
+AO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+BO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+CO2C5H10OH 2 541.500 5.674 1.800 0.000 1.000
+CH3CHCHO 2 387.860 4.687 0.000 0.000 0.000
+IC3H5COCH3 2 485.716 5.327 0.000 0.000 0.000
+IC3H5COCH2 2 482.331 5.306 0.000 0.000 0.000
+AC3H4COCH3 2 482.331 5.306 0.000 0.000 0.000
+IC6H14 2 422.500 5.870 0.000 0.000 1.000
+AC6H13 2 422.500 5.870 0.000 0.000 1.000
+BC6H13 2 422.500 5.870 0.000 0.000 1.000
+CC6H13 2 422.500 5.870 0.000 0.000 1.000
+DC6H13 2 422.500 5.870 0.000 0.000 1.000
+EC6H13 2 422.500 5.870 0.000 0.000 1.000
+AC6H12 2 430.100 5.833 0.000 0.000 1.000
+BC6H12 2 430.100 5.833 0.000 0.000 1.000
+CC6H12 2 430.100 5.833 0.000 0.000 1.000
+DC6H12 2 414.400 5.872 0.000 0.000 1.000
+AC6H11-A2 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-C 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+AC6H11-E 2 430.100 5.833 0.000 0.000 1.000
+BC6H11-E 2 430.100 5.833 0.000 0.000 1.000
+CC6H11-A 2 430.100 5.833 0.000 0.000 1.000
+CC6H11-B 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-A 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-B 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-C 2 430.100 5.833 0.000 0.000 1.000
+AC6H11O-C 2 437.300 6.168 0.000 0.000 1.000
+CC6H11O-B 2 541.500 5.674 1.800 0.000 1.000
+DC6H11O-C 2 437.300 6.168 0.000 0.000 1.000
+AC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+DC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+AC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+DC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+AC6H13O 2 541.500 5.674 1.800 0.000 1.000
+BC6H13O 2 541.500 5.674 1.800 0.000 1.000
+CC6H13O 2 437.300 6.168 0.000 0.000 1.000
+DC6H13O 2 541.500 5.674 1.800 0.000 1.000
+EC6H13O 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-E 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-A 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-B 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-C 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-D 2 541.500 5.674 1.800 0.000 1.000
+A-AC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-BC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-CC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+A-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-CC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+B-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+C-DC6H12O 2 541.500 5.674 1.800 0.000 1.000
+C-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+D-EC6H12O 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+BC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+CC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+DC6H12OOH-EO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-AO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-BO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-CO2 2 541.500 5.674 1.800 0.000 1.000
+EC6H12OOH-DO2 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAD 2 541.500 5.674 1.800 0.000 1.000
+IC6KETAE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCD 2 541.500 5.674 1.800 0.000 1.000
+IC6KETCE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETDE 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEA 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEB 2 541.500 5.674 1.800 0.000 1.000
+IC6KETEC 2 541.500 5.674 1.800 0.000 1.000
+IC6KETED 2 541.500 5.674 1.800 0.000 1.000
+AC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+BC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+CC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+DC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+AO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+BO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+CO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+DO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+NC4H9CHO-2 2 476.000 5.778 2.600 0.000 1.000
+NC4H9CO-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO3-2 2 476.000 5.778 2.600 0.000 1.000
+C4H8CHO4-2 2 476.000 5.778 2.600 0.000 1.000
+IC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+IC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+IC3H6CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+TC3H6CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H7CHCHO 2 476.000 5.778 2.600 0.000 1.000
+IC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+AC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+BC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+CC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+DC5H10CHO 2 498.600 6.009 2.000 0.000 1.000
+C4H7CHO2-1 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO2-1 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-11 2 476.000 5.778 2.600 0.000 1.000
+NC5H11CHO-2 2 498.600 6.009 2.000 0.000 1.000
+NC5H11CO-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO1-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO2-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO3-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO4-2 2 498.600 6.009 2.000 0.000 1.000
+C5H10CHO5-2 2 498.600 6.009 2.000 0.000 1.000
+IC4H9COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC4H9COCH2 2 503.700 6.020 2.000 0.000 1.000
+IC3H6CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC3H7CHCOCH3 2 503.700 6.020 2.000 0.000 1.000
+TC3H6CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC3H7COC2H5 2 537.467 5.643 0.000 0.000 0.000
+IC3H6COC2H5 2 534.323 5.625 0.000 0.000 0.000
+TC3H6COC2H5 2 534.323 5.625 0.000 0.000 0.000
+IC3H7COC2H4P 2 534.323 5.625 0.000 0.000 0.000
+IC3H7COC2H4S 2 534.323 5.625 0.000 0.000 0.000
+IC3H5COC2H5 2 531.165 5.606 0.000 0.000 0.000
+AC3H4COC2H5 2 527.994 5.587 0.000 0.000 0.000
+IC3H5COC2H4P 2 527.994 5.587 0.000 0.000 0.000
+IC3H5COC2H4S 2 527.994 5.587 0.000 0.000 0.000
+IC3H7COCH3 2 469.000 5.632 2.800 0.000 1.000
+IC3H7COCH2 2 489.084 5.348 0.000 0.000 0.000
+IC3H6COCH3 2 489.084 5.348 0.000 0.000 0.000
+TC3H6COCH3 2 489.084 5.348 0.000 0.000 0.000
+C5H91-2 2 386.200 5.489 0.400 0.000 1.000
+IC5H8 2 382.100 5.548 0.000 0.000 1.000
+IC5H7 2 382.100 5.548 0.000 0.000 1.000
+IC5H7O 2 430.100 5.833 0.000 0.000 1.000
+IC4H7-I1 2 380.022 4.633 0.000 0.000 0.000
+C7H16-24 2 437.300 6.168 0.000 0.000 1.000
+XC7H15 2 437.300 6.168 0.000 0.000 1.000
+YC7H15 2 437.300 6.168 0.000 0.000 1.000
+ZC7H15 2 437.300 6.168 0.000 0.000 1.000
+XC7H14 2 439.200 6.151 0.000 0.000 1.000
+YC7H14 2 439.200 6.151 0.000 0.000 1.000
+XC7H13-X1 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-Z 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-X2 2 541.500 5.674 1.800 0.000 1.000
+XC7H13-Y2 2 541.500 5.674 1.800 0.000 1.000
+YC7H13-Y2 2 541.500 5.674 1.800 0.000 1.000
+YC7H13-X2 2 541.500 5.674 1.800 0.000 1.000
+XC7H13O-Z 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-Y2 2 458.500 6.414 0.000 0.000 1.000
+XC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+XC7H15O 2 561.000 6.317 1.700 0.000 1.000
+YC7H15O 2 561.000 6.317 1.700 0.000 1.000
+ZC7H15O 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y1 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Y2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-X 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-Y 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X1O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-X2O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y1O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-Y2O2 2 561.000 6.317 1.700 0.000 1.000
+XC7H14OOH-ZO2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X1O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-X2O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-Y2O2 2 561.000 6.317 1.700 0.000 1.000
+YC7H14OOH-ZO2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-XO2 2 561.000 6.317 1.700 0.000 1.000
+ZC7H14OOH-YO2 2 561.000 6.317 1.700 0.000 1.000
+X-X1C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-X2C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-Y1C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-Y2C7H14O 2 561.000 6.317 1.700 0.000 1.000
+X-ZC7H14O 2 561.000 6.317 1.700 0.000 1.000
+Y-YC7H14O 2 561.000 6.317 1.700 0.000 1.000
+Y-ZC7H14O 2 561.000 6.317 1.700 0.000 1.000
+C7KET24XX1 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XY1 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XZ 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XY2 2 435.900 5.807 0.000 0.000 1.000
+C7KET24XX2 2 435.900 5.807 0.000 0.000 1.000
+C7KET24ZX 2 435.900 5.807 0.000 0.000 1.000
+C7KET24ZY 2 435.900 5.807 0.000 0.000 1.000
+XC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+YC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+XO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+YO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+ACC6H10 2 430.100 5.833 0.000 0.000 1.000
+ACC6H9-A 2 430.100 5.833 0.000 0.000 1.000
+ACC6H9-D 2 430.100 5.833 0.000 0.000 1.000
+NEOC5H12 2 444.347 5.064 0.000 0.000 0.000
+NEOC5H11 2 440.735 5.041 0.000 0.000 0.000
+NEOC5H11O2H 2 549.783 5.717 0.000 0.000 0.000
+NEOC5H11O2 2 546.691 5.698 0.000 0.000 0.000
+NEOC5H11O 2 495.769 5.390 0.000 0.000 0.000
+NEOC5H10OOH 2 546.691 5.698 0.000 0.000 0.000
+NEO-C5H10O 2 492.434 5.369 0.000 0.000 0.000
+NEOC5H10OOH-O2 2 639.455 6.230 0.000 0.000 0.000
+NEOC5H9Q2 2 639.455 6.230 0.000 0.000 0.000
+NEOC5H9Q2-N 2 639.455 6.230 0.000 0.000 0.000
+NEOC5KET 2 591.463 5.959 0.000 0.000 0.000
+NEOC5KETOX 2 540.467 5.661 0.000 0.000 0.000
+NEOC5KEJOL 2 540.467 5.661 0.000 0.000 0.000
+IC4H6Q2-II 2 597.176 5.992 0.000 0.000 0.000
+NEOC6H14 2 406.100 5.842 0.000 0.000 1.000
+FC6H13 2 406.100 5.842 0.000 0.000 1.000
+GC6H13 2 406.100 5.842 0.000 0.000 1.000
+HC6H13 2 406.100 5.842 0.000 0.000 1.000
+NEOC6H12 2 397.900 5.767 0.000 0.000 1.000
+NEOC6H11 2 397.900 5.767 0.000 0.000 1.000
+FC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O2 2 541.500 5.674 1.800 0.000 1.000
+FC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O2H 2 541.500 5.674 1.800 0.000 1.000
+FC6H13O 2 541.500 5.674 1.800 0.000 1.000
+GC6H13O 2 541.500 5.674 1.800 0.000 1.000
+HC6H13O 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-G 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-H 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-H 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-F 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-G 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-GO2 2 541.500 5.674 1.800 0.000 1.000
+FC6H12OOH-HO2 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+GC6H12OOH-HO2 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-FO2 2 541.500 5.674 1.800 0.000 1.000
+HC6H12OOH-GO2 2 541.500 5.674 1.800 0.000 1.000
+F-FC6H12O 2 541.500 5.674 1.800 0.000 1.000
+F-GC6H12O 2 541.500 5.674 1.800 0.000 1.000
+F-HC6H12O 2 541.500 5.674 1.800 0.000 1.000
+G-HC6H12O 2 541.500 5.674 1.800 0.000 1.000
+NEOC6KETFF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETFG 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETFH 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETGF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETGH 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETHF 2 397.900 5.767 0.000 0.000 1.000
+NEOC6KETHG 2 397.900 5.767 0.000 0.000 1.000
+NEOC6H12OH 2 437.300 6.168 0.000 0.000 1.000
+NEOO2C6H12OH 2 561.000 6.317 1.700 0.000 1.000
+TC4H9CHO 2 476.000 5.778 2.600 0.000 1.000
+TC4H9CO 2 476.000 5.778 2.600 0.000 1.000
+NEOC5H11CHO 2 498.600 6.009 2.000 0.000 1.000
+NEOC5H11CO 2 498.600 6.009 2.000 0.000 1.000
+TC4H9CHCHO 2 498.600 6.009 2.000 0.000 1.000
+TC4H8CH2CHO 2 498.600 6.009 2.000 0.000 1.000
+IC4H7CHO 2 476.000 5.778 2.600 0.000 1.000
+IC4H7CO 2 476.000 5.778 2.600 0.000 1.000
+AC3H4CH2CHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H5CHCHO 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CHO-B 2 498.600 6.009 2.000 0.000 1.000
+IC5H11CO-B 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BA 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BC 2 498.600 6.009 2.000 0.000 1.000
+IC5H10CHO-BD 2 498.600 6.009 2.000 0.000 1.000
+C4H7CHO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO1-2 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-23 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO1-24 2 476.000 5.778 2.600 0.000 1.000
+C4H7CHO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H7CO2-2 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-21 2 476.000 5.778 2.600 0.000 1.000
+C4H6CHO2-24 2 476.000 5.778 2.600 0.000 1.000
+TC4H9COCH3 2 503.700 6.020 2.000 0.000 1.000
+TC4H9COCH2 2 503.700 6.020 2.000 0.000 1.000
+TC4H8COCH3 2 503.700 6.020 2.000 0.000 1.000
+CH2CCHO 2 428.800 4.958 2.900 0.000 1.000
+IC3H6CHCHO 2 476.000 5.778 2.600 0.000 1.000
+IC3H6CHCO 2 476.000 5.778 2.600 0.000 1.000
+AC3H5CHCHO 2 476.000 5.778 2.600 0.000 1.000
+AC5H9-A1 2 386.600 5.532 0.500 0.000 1.000
+NEOC7H16 2 437.300 6.168 0.000 0.000 1.000
+NC7H15 2 437.300 6.168 0.000 0.000 1.000
+OC7H15 2 437.300 6.168 0.000 0.000 1.000
+PC7H15 2 437.300 6.168 0.000 0.000 1.000
+QC7H15 2 437.300 6.168 0.000 0.000 1.000
+OC7H14 2 439.200 6.151 0.000 0.000 1.000
+PC7H14 2 439.200 6.151 0.000 0.000 1.000
+OC7H13-N 2 437.300 6.168 0.000 0.000 1.000
+PC7H13-N 2 437.300 6.168 0.000 0.000 1.000
+PC7H13-O 2 437.300 6.168 0.000 0.000 1.000
+PC7H13O-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O2 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O2H 2 561.000 6.317 1.700 0.000 1.000
+NC7H15O 2 561.000 6.317 1.700 0.000 1.000
+OC7H15O 2 561.000 6.317 1.700 0.000 1.000
+PC7H15O 2 561.000 6.317 1.700 0.000 1.000
+QC7H15O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-N2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-N 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-P 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-O 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-N2O2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+NC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+QC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-NO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-QO2 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OOH-PO2 2 561.000 6.317 1.700 0.000 1.000
+PC7H14OOH-OO2 2 561.000 6.317 1.700 0.000 1.000
+N-NC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-OC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-PC7H14O 2 561.000 6.317 1.700 0.000 1.000
+N-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+O-PC7H14O 2 561.000 6.317 1.700 0.000 1.000
+O-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+P-QC7H14O 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNP 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETNQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETON 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETOP 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETOQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETPQ 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQN 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQO 2 561.000 6.317 1.700 0.000 1.000
+NEOC7KETQP 2 561.000 6.317 1.700 0.000 1.000
+OC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+PC7H14OH 2 458.500 6.414 0.000 0.000 1.000
+OO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+PO2C7H14OH 2 581.300 6.506 2.000 0.000 1.000
+IC8H18 2 458.500 6.414 0.000 0.000 1.000
+AC8H17 2 458.500 6.414 0.000 0.000 1.000
+BC8H17 2 458.500 6.414 0.000 0.000 1.000
+CC8H17 2 458.500 6.414 0.000 0.000 1.000
+DC8H17 2 458.500 6.414 0.000 0.000 1.000
+IC8H16 2 485.600 6.440 0.300 0.000 1.000
+JC8H16 2 485.600 6.440 0.300 0.000 1.000
+IC8H15 2 485.600 6.440 0.300 0.000 1.000
+AC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O2 2 581.300 6.506 2.000 0.000 1.000
+AC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O2H 2 581.300 6.506 2.000 0.000 1.000
+AC8H17O 2 581.300 6.506 2.000 0.000 1.000
+BC8H17O 2 581.300 6.506 2.000 0.000 1.000
+CC8H17O 2 581.300 6.506 2.000 0.000 1.000
+DC8H17O 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-C 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-D 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-B 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-A 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAA 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAB 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAC 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERAD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERBC 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERBD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERCD 2 581.300 6.506 2.000 0.000 1.000
+IC8ETERDD 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+AC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-CO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-DO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-BO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OOH-AO2 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAB 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETAD 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETBD 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDA 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDB 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDC 2 581.300 6.506 2.000 0.000 1.000
+IC8KETDD 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-B 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OH-C 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-BO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16O-BO2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-D 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OH-C 2 581.300 6.506 2.000 0.000 1.000
+BC8H16OH-CO2 2 581.300 6.506 2.000 0.000 1.000
+BC8H16O-CO2H 2 581.300 6.506 2.000 0.000 1.000
+CC8H16OH-DO2 2 581.300 6.506 2.000 0.000 1.000
+CC8H16O-DO2H 2 581.300 6.506 2.000 0.000 1.000
+DC8H16OH-CO2 2 581.300 6.506 2.000 0.000 1.000
+DC8H16O-CO2H 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CHO-B 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CO-B 2 581.300 6.506 2.000 0.000 1.000
+AC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+CC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+DC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+EC6H12CHO-B 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CHO-D 2 581.300 6.506 2.000 0.000 1.000
+IC6H13CO-D 2 581.300 6.506 2.000 0.000 1.000
+AC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+BC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+CC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+DC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+EC6H12CHO-D 2 581.300 6.506 2.000 0.000 1.000
+IC3H7COC3H7-I 2 561.000 6.317 1.700 0.000 1.000
+IC3H7COC3H6-I 2 561.000 6.317 1.700 0.000 1.000
+IC3H7COC3H6-T 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H5 2 561.000 6.317 1.700 0.000 1.000
+TC4H8COC2H5 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H4S 2 561.000 6.317 1.700 0.000 1.000
+TC4H9COC2H4P 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H11COCH3 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H10COCH3 2 561.000 6.317 1.700 0.000 1.000
+TC4H9CHCOCH3 2 561.000 6.317 1.700 0.000 1.000
+NEOC5H11COCH2 2 561.000 6.317 1.700 0.000 1.000
+NEOC6H13CHO 2 561.000 6.317 1.700 0.000 1.000
+NEOC6H13CO 2 561.000 6.317 1.700 0.000 1.000
+FC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+GC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+HC6H12CHO 2 561.000 6.317 1.700 0.000 1.000
+IC4H7COCH3 2 503.700 6.020 2.000 0.000 1.000
+IC4H7COCH2 2 503.700 6.020 2.000 0.000 1.000
+IC3H5CHCOCH3 2 503.700 6.020 2.000 0.000 1.000
+AC3H4CH2COCH3 2 503.700 6.020 2.000 0.000 1.000
+XC7H13OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+XC7H13O-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H13OOH-X1 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-X1 2 561.000 6.317 1.700 0.000 1.000
+OC7H13OOH-N 2 561.000 6.317 1.700 0.000 1.000
+OC7H13O-N 2 561.000 6.317 1.700 0.000 1.000
+XC7H13OOH-Z 2 561.000 6.317 1.700 0.000 1.000
+PC7H13OOH-O 2 561.000 6.317 1.700 0.000 1.000
+OC7H13OOH-Q 2 561.000 6.317 1.700 0.000 1.000
+OC7H13O-Q 2 561.000 6.317 1.700 0.000 1.000
+XC7H13OOH-Y2 2 437.300 6.168 0.000 0.000 1.000
+XC7H13O-Y2 2 437.300 6.168 0.000 0.000 1.000
+YC7H13OOH-X2 2 561.000 6.317 1.700 0.000 1.000
+YC7H13O-X2 2 561.000 6.317 1.700 0.000 1.000
+CC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+DC6H11-D 2 430.100 5.833 0.000 0.000 1.000
+IC3H6CHCOCH3 2 531.165 5.606 0.000 0.000 0.000
+AC3H5CHCOCH3 2 527.994 5.587 0.000 0.000 0.000
+IC3H6CHCOCH2 2 527.994 5.587 0.000 0.000 0.000
+C7H6 2 495.300 5.680 0.430 12.300 1.000
+RODC6JDO 2 546.200 6.000 0.130 15.000 1.000
+OXCCXCCJXO 2 426.300 5.510 0.000 0.000 1.000
+BICPD 2 630.400 6.180 0.000 16.500 1.000
+C6JYOO 2 546.200 6.000 0.130 15.000 1.000
+DICYPD 2 630.400 6.180 0.000 16.500 1.000
+CYC5H9 2 400.000 5.200 0.000 0.000 1.000
+BICPDJ 2 630.400 6.180 0.000 16.500 1.000
+CXCC(C#C)XC 2 630.400 6.180 0.000 16.500 1.000
+HCOCJXO 2 386.200 5.489 0.400 0.000 1.000
+CJXCCXCXO 2 561.000 6.317 1.700 0.000 1.000
+CXCCCJXO 2 561.000 6.317 1.700 0.000 1.000
+CXCCCO2J 2 561.000 6.317 1.700 0.000 1.000
+OXCCXCCXO 2 561.000 6.317 1.700 0.000 1.000
+OXCCXCCJCXO 2 561.000 6.317 1.700 0.000 1.000
+CYC5H8 2 400.000 5.200 0.000 0.000 1.000
+CH2CY24PD 2 484.000 5.100 0.000 0.000 0.000
+CYC6H7 2 468.500 5.230 0.000 0.000 1.000
+LINC6H7 2 485.857 5.328 0.000 0.000 0.000
+CPDOOH 2 484.000 5.100 0.000 0.000 0.000
+XYLENE 2 546.200 6.000 0.130 15.000 1.000
+CXOCCXO 2 386.200 5.489 0.400 0.000 1.000
+CPDCXC 2 484.000 5.100 0.000 0.000 0.000
+FULVENYL 2 464.800 5.290 0.000 10.320 1.000
+CPDJCH3 2 464.800 5.290 0.000 10.320 1.000
+CXOCJCXO 2 386.200 5.489 0.400 0.000 1.000
+C12H10 2 676.500 6.310 0.000 20.000 1.000
+O2C6H4CH3 2 546.200 6.000 0.130 15.000 1.000
+RODC6J(C)DO 2 546.200 6.000 0.130 15.000 1.000
+OCCXCCXCJC 2 437.300 6.168 0.000 0.000 1.000
+C6H4 2 412.300 5.349 0.000 0.000 1.000
+OC6H4CH2 2 676.500 6.310 0.000 20.000 1.000
+CR1 2 676.500 6.310 0.000 20.000 1.000
+CR2 2 676.500 6.310 0.000 20.000 1.000
+CR5 2 834.900 7.240 0.000 45.000 1.000
+END
\ No newline at end of file
diff --git a/Exemple/Results full merging/similar_therm_model1.txt b/Exemple/Results full merging/similar_therm_model1.txt
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/Exemple/Results full merging/similar_therm_model2.txt b/Exemple/Results full merging/similar_therm_model2.txt
new file mode 100644
index 0000000000000000000000000000000000000000..e69de29bb2d1d6434b8b29ae775ad8c2e48c5391
diff --git a/Exemple/Results full merging/similar_therm_model_core.txt b/Exemple/Results full merging/similar_therm_model_core.txt
new file mode 100644
index 0000000000000000000000000000000000000000..698382ba309be2f6978dd97a568f597bc78ba996
--- /dev/null
+++ b/Exemple/Results full merging/similar_therm_model_core.txt
@@ -0,0 +1,162 @@
+['c3h6ooh2-1', 'c3h6ooh2-2']
+['c3h6ooh1-2o2', 'c3h6ooh2-1o2']
+['ac3h5co', 'cxcccjxo']
+['c4h8ooh2-1', 'c4h8ooh2-4']
+['c4h8ooh1-2o2', 'c4h8ooh1-3o2', 'c4h8ooh2-1o2', 'c4h8ooh2-4o2']
+['tc4h8ooh-io2', 'ic4h8ooh-to2']
+['ac5h11', 'dc5h11']
+['c4h6cho2-21', 'c4h6cho2-24']
+['c4h8cho-2', 'c4h8cho-3']
+['c4h8cho1-2', 'c4h8cho4-2']
+['c5h11o2-2', 'c5h11o2-3']
+['c5h10ooh1-2', 'c5h10ooh1-3', 'c5h10ooh1-4']
+['c5h10ooh2-1', 'c5h10ooh2-5', 'c5h10ooh3-1']
+['c5h10ooh2-3', 'c5h10ooh2-4', 'c5h10ooh3-2']
+['ac5h10ooh-a', 'ac5h10ooh-d']
+['bc5h10ooh-a', 'bc5h10ooh-d']
+['cc5h10ooh-a', 'cc5h10ooh-d']
+['c5h11o2h-2', 'c5h11o2h-3']
+['nc5d1ket53', 'nc5d1ket43', 'nc5d1ket35', 'nc5d1ket54', 'nc5d1ket45', 'nc5d1ket34']
+['nc5ket13', 'nc5ket14']
+['ic5ketaa', 'ic5ketad']
+['c5h81ooh5-4o2', 'c5h81ooh4-5o2']
+['c5h81ooh3-4o2', 'c5h81ooh4-3o2']
+['c5h81ooh5-3o2', 'c5h81ooh3-5o2']
+['c5h82ooh4-5o2', 'c5h82ooh5-4o2']
+['c5h10ooh1-2o2', 'c5h10ooh1-3o2', 'c5h10ooh1-4o2', 'c5h10ooh2-1o2', 'c5h10ooh2-5o2', 'c5h10ooh3-1o2']
+['c5h10ooh2-3o2', 'c5h10ooh2-4o2', 'c5h10ooh3-2o2']
+['ac5h10ooh-bo2', 'bc5h10ooh-ao2']
+['ac5h10ooh-co2', 'cc5h10ooh-ao2', 'cc5h10ooh-do2', 'dc5h10ooh-co2']
+['ac5h10ooh-do2', 'dc5h10ooh-ao2']
+['bc5h10ooh-co2', 'cc5h10ooh-bo2']
+['bc5h10ooh-do2', 'dc5h10ooh-bo2']
+['acc6h9-a', 'acc6h9-d']
+['c6h101-3', 'c6h101-4', 'c6h101-5', 'c6h102-4']
+['c6h111-4', 'c6h111-5']
+['c6h13-2', 'c6h13-3']
+['ac6h13', 'ec6h13']
+['cc6h13', 'dc6h13']
+['etes1', 'mvox', 'vthf', 'edhf']
+['c5h10cho-2', 'c5h10cho-3', 'c5h10cho-4']
+['c4h8coch3-2', 'c4h8coch3-3']
+['c6h11o1-4', 'c6h11o1-5']
+['c3h6coc2h5-1', 'nc3h7coc2h4p']
+['c3h6coc2h5-3', 'nc3h7coc2h4s']
+['c5h10cho1-2', 'c5h10cho5-2']
+['c5h10cho3-2', 'c5h10cho4-2']
+['ic3h6coc2h5', 'ic3h7coc2h4p']
+['ic5h10cho-ba', 'ic5h10cho-bd']
+['c6h12o2-3', 'c6h12o3-4']
+['c6h13o-2', 'c6h13o-3']
+['c6h12oh-2', 'c6h12oh-3']
+['cc6h13o', 'dc6h13o']
+['c6h112o2-1', 'c6h111o2-3']
+['c6h111o2-4', 'c6h111o2-5']
+['c6h101ooh3-4', 'c6h101ooh3-5']
+['c6h101ooh4-3', 'c6h101ooh5-3']
+['c6h101ooh4-5', 'c6h101ooh5-4']
+['c6h101ooh6-4', 'c6h101ooh6-5']
+['c6h11ooh1-4', 'c6h11ooh1-5']
+['c6h111o2h-4', 'c6h111o2h-5']
+['c6h13o2-2', 'c6h13o2-3']
+['c6h12ooh1-2', 'c6h12ooh1-3', 'c6h12ooh1-4', 'c6h12ooh1-5']
+['c6h12ooh2-1', 'c6h12ooh2-6', 'c6h12ooh3-1', 'c6h12ooh3-6']
+['c6h12ooh2-3', 'c6h12ooh2-4', 'c6h12ooh2-5', 'c6h12ooh3-2', 'c6h12ooh3-4', 'c6h12ooh3-5']
+['cc6h13o2', 'dc6h13o2']
+['ac6h12ooh-a', 'ac6h12ooh-e']
+['ac6h12ooh-c', 'ac6h12ooh-d']
+['bc6h12ooh-a', 'bc6h12ooh-e']
+['bc6h12ooh-c', 'bc6h12ooh-d']
+['cc6h12ooh-a', 'dc6h12ooh-a']
+['cc6h12ooh-b', 'dc6h12ooh-b']
+['cc6h12ooh-d', 'dc6h12ooh-c']
+['cc6h12ooh-e', 'dc6h12ooh-e']
+['ec6h12ooh-c', 'ec6h12ooh-d']
+['fc6h12ooh-f', 'fc6h12ooh-h']
+['c6h13o2h-2', 'c6h13o2h-3']
+['cc6h13o2h', 'dc6h13o2h']
+['nc6d2ket54', 'nc6d2ket56']
+['nc6ket13', 'nc6ket14', 'nc6ket15']
+['nc6ket24', 'nc6ket25']
+['nc6ket31', 'nc6ket36']
+['nc6ket32', 'nc6ket34']
+['ic6ketaa', 'ic6ketae']
+['ic6ketac', 'ic6ketad']
+['o2c6h12oh-2', 'o2c6h12oh-3']
+['c6h101ooh3-4o2', 'c6h101ooh3-5o2', 'c6h101ooh4-3o2', 'c6h101ooh5-3o2']
+['c6h101ooh3-6o2', 'c6h101ooh6-3o2']
+['c6h101ooh4-5o2', 'c6h101ooh5-4o2']
+['c6h101ooh4-6o2', 'c6h101ooh5-6o2', 'c6h101ooh6-4o2', 'c6h101ooh6-5o2']
+['c6h102ooh4-5o2', 'c6h102ooh5-4o2']
+['c6h102ooh4-6o2', 'c6h102ooh6-4o2']
+['c6h102ooh5-6o2', 'c6h102ooh6-5o2']
+['c6h103ooh2-1o2', 'c6h103ooh1-2o2']
+['c6h12ooh1-2o2', 'c6h12ooh1-3o2', 'c6h12ooh1-4o2', 'c6h12ooh1-5o2', 'c6h12ooh2-1o2', 'c6h12ooh2-6o2', 'c6h12ooh3-1o2', 'c6h12ooh3-6o2']
+['c6h12ooh2-3o2', 'c6h12ooh2-4o2', 'c6h12ooh2-5o2', 'c6h12ooh3-2o2', 'c6h12ooh3-4o2', 'c6h12ooh3-5o2']
+['ac6h12ooh-bo2', 'bc6h12ooh-ao2', 'bc6h12ooh-eo2', 'ec6h12ooh-bo2']
+['ac6h12ooh-co2', 'ac6h12ooh-do2', 'cc6h12ooh-ao2', 'dc6h12ooh-ao2']
+['ac6h12ooh-eo2', 'ec6h12ooh-ao2']
+['bc6h12ooh-co2', 'bc6h12ooh-do2', 'cc6h12ooh-bo2', 'dc6h12ooh-bo2']
+['cc6h12ooh-do2', 'dc6h12ooh-co2']
+['cc6h12ooh-eo2', 'dc6h12ooh-eo2', 'ec6h12ooh-co2', 'ec6h12ooh-do2']
+['fc6h12ooh-fo2', 'fc6h12ooh-ho2', 'hc6h12ooh-fo2']
+['fc6h12ooh-go2', 'gc6h12ooh-fo2']
+['gc6h12ooh-ho2', 'hc6h12ooh-go2']
+['c7h131-4', 'c7h131-5', 'c7h131-6']
+['c7h132-5', 'c7h132-6']
+['c7h133-1', 'c7h133-7']
+['c7h15-2', 'c7h15-3']
+['oc7h15', 'pc7h15']
+['ac6h12cho-b', 'ec6h12cho-b']
+['cc6h12cho-b', 'dc6h12cho-b']
+['ac6h12cho-d', 'ec6h12cho-d']
+['tc4h8coc2h5', 'tc4h9coc2h4p']
+['neoc5h10coch3', 'neoc5h11coch2']
+['c7h14o2-3', 'c7h14o3-4']
+['c7h14o2-4', 'c7h14o3-5']
+['c7h15o-2', 'c7h15o-3']
+['c7h14oh-2', 'c7h14oh-3']
+['oc7h15o', 'pc7h15o']
+['hoc6h4ch2o', 'o2c6h4ch3', 'rodc6j(c)do']
+['c7h15o2-2', 'c7h15o2-3']
+['c7h14ooh1-2', 'c7h14ooh1-3', 'c7h14ooh1-4', 'c7h14ooh1-5']
+['c7h14ooh2-1', 'c7h14ooh3-1', 'c7h14ooh3-7']
+['c7h14ooh2-3', 'c7h14ooh2-4', 'c7h14ooh2-5', 'c7h14ooh2-6', 'c7h14ooh3-2', 'c7h14ooh3-4', 'c7h14ooh3-5', 'c7h14ooh3-6']
+['c7h14ooh4-2', 'c7h14ooh4-3']
+['xc7h14ooh-x1', 'xc7h14ooh-x2']
+['xc7h14ooh-y1', 'xc7h14ooh-y2']
+['yc7h14ooh-x1', 'yc7h14ooh-x2']
+['oc7h15o2', 'pc7h15o2']
+['nc7h14ooh-n2', 'nc7h14ooh-q', 'qc7h14ooh-n']
+['nc7h14ooh-o', 'nc7h14ooh-p']
+['qc7h14ooh-o', 'qc7h14ooh-p']
+['oc7h14ooh-n', 'pc7h14ooh-n']
+['oc7h14ooh-q', 'pc7h14ooh-q']
+['oc7h14ooh-p', 'pc7h14ooh-o']
+['c7h15o2h-2', 'c7h15o2h-3']
+['oc7h15o2h', 'pc7h15o2h']
+['nc7ket13', 'nc7ket14', 'nc7ket15']
+['nc7ket24', 'nc7ket25', 'nc7ket26', 'nc7ket35', 'nc7ket36']
+['nc7ket31', 'nc7ket37', 'nc7ket41']
+['nc7ket32', 'nc7ket34']
+['nc7ket42', 'nc7ket43']
+['neoc7ketno', 'neoc7ketnp']
+['o2c7h14oh-2', 'o2c7h14oh-3']
+['c7h14ooh1-2o2', 'c7h14ooh1-3o2', 'c7h14ooh1-4o2', 'c7h14ooh1-5o2', 'c7h14ooh2-1o2', 'c7h14ooh3-1o2', 'c7h14ooh3-7o2', 'c7h14ooh4-1o2']
+['c7h14ooh2-3o2', 'c7h14ooh2-4o2', 'c7h14ooh2-5o2', 'c7h14ooh2-6o2', 'c7h14ooh3-2o2', 'c7h14ooh3-4o2', 'c7h14ooh3-5o2', 'c7h14ooh3-6o2', 'c7h14ooh4-2o2', 'c7h14ooh4-3o2']
+['xc7h14ooh-x1o2', 'xc7h14ooh-x2o2']
+['xc7h14ooh-y1o2', 'xc7h14ooh-y2o2', 'yc7h14ooh-x1o2', 'yc7h14ooh-x2o2']
+['xc7h14ooh-zo2', 'zc7h14ooh-xo2']
+['yc7h14ooh-zo2', 'zc7h14ooh-yo2']
+['nc7h14ooh-n2o2', 'nc7h14ooh-qo2', 'qc7h14ooh-no2']
+['nc7h14ooh-oo2', 'nc7h14ooh-po2', 'oc7h14ooh-no2', 'pc7h14ooh-no2']
+['qc7h14ooh-oo2', 'qc7h14ooh-po2', 'oc7h14ooh-qo2', 'pc7h14ooh-qo2']
+['oc7h14ooh-po2', 'pc7h14ooh-oo2']
+['ac8h16ooh-a', 'ac8h16ooh-d']
+['ic8ketaa', 'ic8ketad']
+['ac8h16ooh-ao2', 'ac8h16ooh-do2', 'dc8h16ooh-ao2']
+['ac8h16ooh-bo2', 'bc8h16ooh-ao2']
+['ac8h16ooh-co2', 'cc8h16ooh-ao2']
+['bc8h16ooh-co2', 'cc8h16ooh-bo2']
+['bc8h16ooh-do2', 'dc8h16ooh-bo2']
+['cc8h16ooh-do2', 'dc8h16ooh-co2']
diff --git a/Exemple/Results full merging/similar_therm_model_to_translate.txt b/Exemple/Results full merging/similar_therm_model_to_translate.txt
new file mode 100644
index 0000000000000000000000000000000000000000..d45c431d568d69776837b551bc845b7176dca648
--- /dev/null
+++ b/Exemple/Results full merging/similar_therm_model_to_translate.txt
@@ -0,0 +1,28 @@
+['c3h6ooh2-1', 'c3h6ooh2-2']
+['c3h6ooh1-2o2', 'c3h6ooh2-1o2']
+['ch3chchco', 'ch2chchcho']
+['c4h8ooh2-1', 'c4h8ooh2-4']
+['c4h8ooh1-2o2', 'c4h8ooh1-3o2', 'c4h8ooh2-1o2', 'c4h8ooh2-4o2']
+['tc4h8ooh-io2', 'ic4h8ooh-to2']
+['pbketba', 'pbketbc', 'pbketab', 'pbketac', 'pbketcb', 'pbketca']
+['pbzohaqjb', 'pbzohbqja']
+['pbzohbqjc', 'pbzohcqjb']
+['pboohbooa', 'pboohaoob']
+['pboohcoob', 'pboohbooc']
+['bc6h5c4h8', 'cc6h5c4h8']
+['c6h5c4h8ojb', 'c6h5c4h8ojc']
+['bbzqdrc', 'bbzqdrb']
+['bbzqcrd', 'bbzqbrd']
+['bbzqcrb', 'bbzqbrc']
+['bbzqcra', 'bbzqbra']
+['bbzqarc', 'bbzqarb']
+['c6h5c4h8qja', 'c6h5c4h8qjc']
+['bbzqb', 'bbzqc']
+['bbzocqd', 'bbzocqb']
+['bbzohdqjc', 'bbzohcqjd']
+['bbzohcqjb', 'bbzohbqjc']
+['bbzohaqjb', 'bbzohbqja']
+['bbzqdqjc', 'bbzqdqjb', 'bbzqcqjd', 'bbzqbqjd']
+['bbzqdqja', 'bbzqaqjd']
+['bbzqaqjb', 'bbzqbqja', 'bbzqaqjc', 'bbzqcqja']
+['bbzqcqjb', 'bbzqbqjc']
diff --git a/Exemple/Results full merging/tmp_species_traduction.inp b/Exemple/Results full merging/tmp_species_traduction.inp
new file mode 100644
index 0000000000000000000000000000000000000000..93e4b535dfe796d2fff51ab351b5e11dbeaee9e4
--- /dev/null
+++ b/Exemple/Results full merging/tmp_species_traduction.inp
@@ -0,0 +1,846 @@
+! TEMPORARY TRADUCTION FILE
+! Choose an isomer for every line commented by a "!CHECK" and rename the file into tmp_speces_traduction.inp
+! Made with 450 permutations allowed.
+! [X, Y, Z] :
+! X = error between species to trad and the traduction
+! Y = error of the best fit for all isomers
+! Z = error of the second best fit for all isomers
+!
+! ar1
+!
+ar = ar
+!
+! he1
+!
+he = he
+!
+! h1
+!
+h = h
+!
+! h2
+!
+h2 = h2
+!
+! o1
+!
+o = o
+!
+! o1 h1
+!
+oh = oh !diff<0.1
+oh* = None !diff<0.1
+!
+! o1 h2
+!
+h2o = h2o
+!
+! o2
+!
+o2 = o2
+!
+! o2 h1
+!
+ho2 = ho2
+!
+! o2 h2
+!
+h2o2 = h2o2
+!
+! c1
+!
+c = c
+!
+! c1 h1
+!
+ch = ch !diff<0.1
+ch* = None !diff<0.1
+!
+! c1 h2
+!
+ch2 = ch2 !diff<0.1
+ch2(s) = ch2(s) !diff<0.1
+!
+! c1 h3
+!
+ch3 = ch3
+!
+! c1 h4
+!
+ch4 = ch4
+!
+! c1 o1
+!
+co = co
+!
+! c1 o1 h1
+!
+hco = hco
+!
+! c1 o1 h2
+!
+ch2o = ch2o !diff<0.1
+hcoh = None !diff<0.1
+!
+! c1 o1 h3
+!
+ch2oh = ch2oh !diff<0.1
+ch3o = ch3o !diff<0.1
+!
+! c1 o1 h4
+!
+ch3oh = ch3oh
+!
+! c1 o2
+!
+co2 = co2
+!
+! c1 o2 h1
+!
+hoco = None !diff<0.1
+ocho = ocho !diff<0.1
+!
+! c1 o2 h2
+!
+hocho = hocho
+!
+! c1 o2 h3
+!
+hoch2o = hoch2o !WATCHOUT [0.0, 0.010514918242965004, 1.2095874158483622]
+ch3o2 = ch3o2 !diff<0.1
+ch2o2h = ch2o2h !WATCHOUT [0.0, 0.010514918242965004, 1.2095874158483622]
+!
+! c1 o2 h4
+!
+ch3o2h = ch3o2h
+!
+! c1 o3 h1
+!
+o2cho = o2cho
+!
+! c1 o3 h2
+!
+ho2cho = ho2cho
+!
+! c1 o3 h3
+!
+hoch2o2 = hoch2o2
+och2o2h = och2o2h
+!
+! c1 o3 h4
+!
+hoch2o2h = hoch2o2h
+!
+! c2 h1
+!
+c2h = c2h
+!
+! c2 h2
+!
+c2h2 = c2h2 !diff<0.1
+h2cc = None !diff<0.1
+!
+! c2 h3
+!
+c2h3 = c2h3
+!
+! c2 h4
+!
+c2h4 = c2h4
+!
+! c2 h5
+!
+c2h5 = c2h5
+!
+! c2 h6
+!
+c2h6 = c2h6
+!
+! c2 o1 h1
+!
+hcco = hcco
+!
+! c2 o1 h2
+!
+ch2co = ch2co !diff<0.1
+hccoh = hccoh !diff<0.1
+!
+! c2 o1 h3
+!
+ch3co = ch3co !Should be ok 1.7
+ch2cho = ch2cho !Should be ok 1.2
+c2h3o1-2 = c2h3o1-2 !None !Should be ok but look : [None, None, 'c2h3o1-2'] [0, 0.09223516257549348, 0.38807162852947746] 0.0
+c2h2oh = None !Should be ok but look : ['c2h3o1-2', 'c2h3o1-2', None] [0.0782080722915117, 0.09223516257549348, 0.38807162852947746] 1.6
+!
+! c2 o1 h4
+!
+ch3cho = ch3cho !diff<0.1
+c2h4o1-2 = c2h4o1-2 !diff<0.1
+c2h3oh = None !diff<0.1
+!
+! c2 o1 h5
+!
+pc2h4oh = pc2h4oh !Should be ok 3.1
+sc2h4oh = sc2h4oh !Should be ok 1.9
+c2h5o = c2h5o !Should be ok but look : ['c2h5o', 'c2h5o', 'ch3och2'] [0.005472672319888762, 0.03213305697725714, 0.12332351984960954] 1.5
+ch3och2 = ch3och2 !Should be ok but look : ['ch3och2', 'ch3och2', 'c2h5o'] [0.02117857390192125, 0.03213305697725714, 0.12332351984960954] 1.8
+!
+! c2 o1 h6
+!
+c2h5oh = c2h5oh !diff<0.1
+ch3och3 = ch3och3 !diff<0.1
+!
+! c2 o2 h2
+!
+chocho = hcohco
+!
+! c2 o2 h3
+!
+ch3co2 = ch3co2 !WATCHOUT [0.0, 0.0005899674869619337, 0.009772808187196651]
+ch3oco = ch3oco !diff<0.1
+ch2ocho = ch2ocho !WATCHOUT [0.0, 0.0005899674869619337, 0.009772808187196651]
+!
+! c2 o2 h4
+!
+ch3ocho = ch3ocho !diff<0.1
+c2h3ooh = c2h3ooh !WATCHOUT [0.0, 0.001897237655023077, 46.59148558024384]
+!
+! c2 o2 h5
+!
+c2h5o2 = c2h5o2 !diff<0.1
+c2h4o2h = c2h4o2h !WATCHOUT [0.0, 0.08956909594572054, 1.157367676738747]
+ch3och2o = ch3och2o !WATCHOUT [0.0, 0.08956909594572054, 1.157367676738747]
+!
+! c2 o2 h6
+!
+c2h5o2h = c2h5o2h
+!
+! c2 o3 h3
+!
+ch3co3 = ch3co3 !WATCHOUT [0.0, 0.01913739139598684, 0.11098224077467238]
+och2ocho = och2ocho !Should be ok but look : ['och2ocho', 'och2ocho', 'hoch2oco'] [0.01913739139598684, 0.01913739139598684, 0.11098224077467238] 2.3
+hoch2oco = hoch2oco !WATCHOUT [0.0, 0.01913739139598684, 0.11098224077467238]
+o2ch2cho = None !Should be ok 0.0
+ho2ch2co = None !Should be ok 0.0
+!
+! c2 o3 h4
+!
+ch3co3h = ch3co3h
+!
+! c2 o3 h5
+!
+o2c2h4oh = o2c2h4oh !WATCHOUT [0.0, 0.03652222837784032, 0.34895157471958804]
+ch3och2o2 = ch3och2o2 !Should be ok but look : ['ch3och2o2', 'ch3och2o2', 'o2c2h4oh'] [0.01874390045642693, 0.03652222837784032, 0.34895157471958804] 4.1
+ch2och2o2h = ch2och2o2h !Should be ok 3.9
+!
+! c2 o3 h6
+!
+ch3och2o2h = ch3och2o2h
+!
+! c2 o4 h1
+!
+o2cchooj = dhco2j
+!
+! c2 o4 h4
+!
+ho2ch2ocho = ho2ch2ocho
+!
+! c2 o5 h5
+!
+o2ch2och2o2h = o2ch2och2o2h
+!
+! c3 h2
+!
+c3h2 = c3h2 ! !Should be ok but look : [None, None, 'c3h2'] [0, 0.16324642569132464, 0.21003140371373297] 0.0
+c3h2(s) = None !Should be ok but look : ['c3h2', 'c3h2', None] [0.16324642569132464, 0.16324642569132464, 0.21003140371373297] 22.4
+!
+! c3 h3
+!
+c3h3 = c3h3
+!
+! c3 h4
+!
+c3h4-a = c3h4-a !['c3h4-p', 'c3h4-a', 'c3h4-p'] ![0.0021966141651899376, 0.032703202064777274, 0.1154006207086556] 0.3
+! c3h4-p : 20 47/29 c3h4-a : 33 47/49
+c3h4-p = c3h4-p !['c3h4-a', 'c3h4-p', 'c3h4-a'] ![0.11537971288815152, 0.032703202064777274, 0.1154006207086556] 6.3
+! c3h4-p : 26 37/29 c3h4-a : 21 37/49
+cc3h4 = None !Should be ok 0.0
+!
+! c3 h5
+!
+c3h5-a = c3h5-a !Should be ok 0.7
+c3h5-t = c3h5-t !Should be ok but look : ['c3h5-t', 'c3h5-t', 'c3h5-s'] [0.0129254830507268, 0.030694823692058063, 0.09560352629211877] 1.8
+c3h5-s = c3h5-s !Should be ok but look : ['c3h5-s', 'c3h5-s', 'c3h5-t'] [0.0007322822218472233, 0.030694823692058063, 0.09560352629211877] 0.5
+!
+! c3 h6
+!
+c3h6 = c3h6
+!
+! c3 h7
+!
+nc3h7 = nc3h7 !diff<0.1
+ic3h7 = ic3h7 !diff<0.1
+!
+! c3 h8
+!
+c3h8 = c3h8
+!
+! c3 o1 h3
+!
+c2h3co = c2h3co
+cj*cc*o = cjxccxo
+!
+! c3 o1 h4
+!
+c2h3cho = c2h3cho
+ch3chco = ch3chco
+!
+! c3 o1 h5
+!
+ch3coch2 = ch3coch2 !['ch3chcho', 'ch3chcho', 'ch3coch2'] ![0.10119398290717493, 0.10161820514548173, 0.10777491532071092] 5.6
+! ch3coch2 : 14 14/33 c2h5co : 9 14/47 ch3chcho : 1 14/15 ch2ch2cho : 0 14/20 c3h5o : 0 14/13 ch2cch2oh : 5 14/13
+c2h5co = c2h5co !['ch3coch2', 'ch3coch2', 'c2h5co'] ![0.009275636925386656, 0.10161820514548173, 0.10777491532071092] 1.9
+! ch3coch2 : 10 25/33 c2h5co : 25 25/47 ch3chcho : 1 25/15 ch2ch2cho : 0 25/20 c3h5o : 0 25/13 ch2cch2oh : 5 25/13
+ch2ch2cho = ch2ch2cho !WATCHOUT [0.0, 0.10161820514548173, 0.10777491532071092]
+c3h5o = c3h5o !WATCHOUT [0.0, 0.10161820514548173, 0.10777491532071092]
+ch2cch2oh = ch2cch2oh
+!
+! c3 o1 h6
+!
+ch3coch3 = ch3coch3 !['ch3coch3', 'ch3coch3', 'ch3coch3'] ![0.003017831669469848, 0.15360969622147772, 0.1753877819467763] 1.6
+! ch3coch3 : 21 21/62 c3h6o1-3 : 1 21/8 c3h5oh : 5 21/8 c3h6o1-2 : 1 21/10 c2h5cho : 12 21/73 ic3h5oh : 2 21/3
+c2h5cho = c2h5cho !['c2h5cho', 'c2h5cho', 'ic3h5oh'] ![0.15283378039718729, 0.15360969622147772, 0.1753877819467763] 4.2
+! ch3coch3 : 11 27/62 c3h6o1-3 : 0 27/8 c3h5oh : 5 27/8 c3h6o1-2 : 0 27/10 c2h5cho : 27 27/73 ic3h5oh : 1 27/3
+c3h6o1-3 = c3h6o1-3 !['c3h6o1-3', 'c3h6o1-3', 'c3h6o1-3'] ![0.009334041702063882, 0.15360969622147772, 0.1753877819467763] 2.1
+! ch3coch3 : 1 8/62 c3h6o1-3 : 8 8/8 c3h5oh : 0 8/8 c3h6o1-2 : 8 8/10 c2h5cho : 0 8/73 ic3h5oh : 0 8/3
+c3h6o1-2 = c3h6o1-2 !['c3h6o1-2', 'c3h6o1-2', 'c3h6o1-2'] ![0.01013109847126786, 0.15360969622147772, 0.1753877819467763] 1.0
+! ch3coch3 : 2 10/62 c3h6o1-3 : 9 10/8 c3h5oh : 0 10/8 c3h6o1-2 : 10 10/10 c2h5cho : 0 10/73 ic3h5oh : 0 10/3
+ic3h5oh = ic3h5oh !WATCHOUT [0.0, 0.15360969622147772, 0.1753877819467763]
+c3h5oh = c3h5oh !['c3h5oh', 'c3h5oh', 'c3h5oh'] ![0.006237270560377284, 0.15360969622147772, 0.1753877819467763] 1.2
+! ch3coch3 : 5 7/62 c3h6o1-3 : 0 7/8 c3h5oh : 7 7/8 c3h6o1-2 : 0 7/10 c2h5cho : 5 7/73 ic3h5oh : 0 7/3
+!
+! c3 o1 h7
+!
+nc3h7o = nc3h7o !Should be ok but look : ['nc3h7o', 'nc3h7o', 'ic3h7o'] [0.08398695704889923, 0.08398695704889923, 0.11479501122359106] 2.9
+ic3h7o = ic3h7o !WATCHOUT [0.0, 0.08398695704889923, 0.11479501122359106]
+c3h6oh = c3h6oh !WATCHOUT [0.0, 0.08398695704889923, 0.11479501122359106]
+tc3h6oh = tc3h6oh !WATCHOUT [0.0, 0.08398695704889923, 0.11479501122359106]
+!
+! c3 o2 h3
+!
+!CHECK hoc*ccj*o = cxocjcxo ! ATTENTION
+!
+! c3 o2 h4
+!
+!CHECK hoc*cc*o = cxoccxo ! ATTENTION
+!
+! c3 o2 h6
+!
+ac3h5ooh = ac3h5ooh
+!
+! c3 o2 h7
+!
+c3h6ooh1-3 = c3h6ooh1-3 !WATCHOUT [0.0, 0.223100456881076, 0.223100456881076]
+c3h6ooh1-2 = c3h6ooh1-2 !WATCHOUT [0.0, 0.223100456881076, 0.223100456881076]
+c3h6ooh2-1 = c3h6ooh2-1 !WATCHOUT [0.0, 0.223100456881076, 0.223100456881076]
+c3h6ooh2-2 = c3h6ooh2-2 !WATCHOUT [0.0, 0.223100456881076, 0.223100456881076]
+nc3h7o2 = nc3h7o2 !['nc3h7o2', 'nc3h7o2', 'nc3h7o2'] ![0.2231599821541535, 0.2231599821541535, 0.2231599821541535] 4.8
+! c3h6ooh2-2 : 2 58/2 ic3h7o2 : 43 58/44 c3h6ooh2-1 : 3 58/6 nc3h7o2 : 44 58/44 c3h6ooh1-3 : 2 58/4 c3h6ooh1-2 : 3 58/5
+ic3h7o2 = ic3h7o2 !WATCHOUT [0.0, 0.223100456881076, 0.223100456881076]
+!
+! c3 o2 h8
+!
+nc3h7o2h = nc3h7o2h !diff<0.1
+ic3h7o2h = ic3h7o2h !WATCHOUT [0.0, 0.001166635907319654, 0.028318129611843018]
+!
+! c3 o3 h5
+!
+ch3coch2o2 = ch3coch2o2
+!
+! c3 o3 h6
+!
+c3ket12 = c3ket12
+c3ket13 = c3ket13
+c3ket21 = c3ket21
+!
+! c3 o3 h7
+!
+hoc3h6o2 = hoc3h6o2
+!
+! c3 o4 h7
+!
+c3h6ooh1-2o2 = c3h6ooh1-2o2
+c3h6ooh1-3o2 = c3h6ooh1-3o2
+c3h6ooh2-1o2 = c3h6ooh2-1o2
+c3h51-2,3ooh = c3h51-2,3ooh
+c3h52-1,3ooh = c3h52-1,3ooh
+!
+! c4 h2
+!
+c4h2 = c4h2
+!
+! c4 h3
+!
+c4h3-i = None !diff<0.1
+c4h3-n = nc4h3 !diff<0.1
+!
+! c4 h4
+!
+c4h4 = c4h4
+!
+! c4 h5
+!
+c4h5-n = nc4h5 !diff<0.1
+c4h5-i = c4h5 !WATCHOUT [0.0, 0.00433522876591631, 0.1762022381880314]
+c4h5-2 = None !diff<0.1
+!
+! c4 h6
+!
+c4h6 = c4h6 !['c4h6', 'ch2cchch3', 'ch2cchch3'] ![0.00920103351222573, 1.2429604781196872, 1.5624136527166466] 0.5
+! ch2cchch3 : 0 63/3 c4h6 : 20 63/47
+c4h612 = ch2cchch3 !Should be ok but look : [None, None, 'c4h6'] [0, 1.2429604781196872, 1.5624136527166466] 0.0
+!CHECK c4h6-2 = ['ch2cchch3', 'c4h6', None] ![1.7769895169972536, 1.2429604781196872, 1.5624136527166466] 25.5
+! ch2cchch3 : 0 7/3 c4h6 : 0 7/47
+!
+! c4 h7
+!
+c4h71-1 = c4h71-1 !Should be ok 1.0
+c4h71-2 = c4h71-2 !Should be ok 0.8
+c4h71-3 = c4h71-3 !['c4h71-3', 'ic4h7', 'ic4h7'] ![0.05208737005276926, 0.02851743243733546, 0.036088078017379746] 3.1
+! c4h71-4 : 13 53/21 c4h71-1 : 4 53/8 c4h72-2 : 0 53/5 ic4h7-i1 : 0 53/7 ic4h7 : 24 53/56 c4h71-3 : 51 53/67 c4h71-2 : 4 53/9
+c4h71-4 = c4h71-4 !Should be ok 0.6
+c4h72-2 = c4h72-2 !Should be ok but look : ['c4h72-2', 'c4h72-2', 'c4h71-2'] [0.0005536791751076464, 0.02851743243733546, 0.036088078017379746] 0.6
+ic4h7 = ic4h7 !['ic4h7', 'c4h71-3', 'c4h71-3'] ![0.0005983044446752468, 0.02851743243733546, 0.036088078017379746] 0.5
+! c4h71-4 : 5 36/21 c4h71-1 : 2 36/8 c4h72-2 : 1 36/5 ic4h7-i1 : 1 36/7 ic4h7 : 36 36/56 c4h71-3 : 20 36/67 c4h71-2 : 3 36/9
+!
+! c4 h8
+!
+c4h8-1 = c4h8-1 !Should be ok 0.7
+c4h8-2 = c4h8-2 !['c4h8-2', 'ic4h8', 'c4h8-2'] ![0.0001198587085541333, 0.022956371555866485, 0.03930212536267332] 0.3
+! c4h8-1 : 22 23/70 ic4h8 : 15 23/93 c4h8-2 : 22 23/25
+ic4h8 = ic4h8 !['ic4h8', 'c4h8-2', 'ic4h8'] ![0.03866198946125357, 0.022956371555866485, 0.03930212536267332] 1.4
+! c4h8-1 : 24 38/70 ic4h8 : 38 38/93 c4h8-2 : 20 38/25
+!
+! c4 h9
+!
+pc4h9 = pc4h9 !WATCHOUT [0.0, 0.016812574008072664, 0.038508085254037594]
+sc4h9 = sc4h9 !WATCHOUT [0.0, 0.016812574008072664, 0.038508085254037594]
+ic4h9 = ic4h9 !Should be ok 2.4
+tc4h9 = tc4h9 !Should be ok 0.5
+!
+! c4 h10
+!
+c4h10 = c4h10 !WATCHOUT [0.0, 0.002162450140312601, 0.042522625673294984]
+ic4h10 = ic4h10 !diff<0.1
+!
+! c4 o1 h4
+!
+c4h4o = None !diff<0.1
+vk = cxccxcxo !diff<0.1
+!
+! c4 o1 h5
+!
+sc3h5co = sc3h5co !WATCHOUT [0.0, 0.1684809535437561, 0.1684809535437561]
+ic3h5co = ic3h5co !WATCHOUT [0.0, 0.1684809535437561, 0.1684809535437561]
+ch3chchco = ac3h5co !['ac3h5co', 'ic3h5co', 'ic3h5co'] ![0.19862250738994067, 0.1684809535437561, 0.1684809535437561] 11.4
+! sc3h5co : 3 6/7 ic3h5co : 3 6/9 cxcccjxo : 0 6/2 c2h3chcho : 1 6/8 cxocxccj : 0 6/3 ac3h5co : 1 6/5
+ch2chchcho = cxocxccj !['cxcccjxo', '', ''] ![0.19862250738994067, 0.1684809535437561, 0.1684809535437561] 11.4
+! sc3h5co : 3 8/7 ic3h5co : 3 8/9 cxcccjxo : 0 8/2 c2h3chcho : 1 8/8 cxocxccj : 0 8/3 ac3h5co : 1 8/5
+c*ccjc*o = c2h3chcho !['c2h3chcho', 'ac3h5co', 'cxcccjxo'] ![4.337817483036069e-05, 0.1684809535437561, 0.1684809535437561] 0.1
+! sc3h5co : 1 3/7 ic3h5co : 1 3/9 cxcccjxo : 0 3/2 c2h3chcho : 3 3/8 cxocxccj : 0 3/3 ac3h5co : 1 3/5
+!
+! c4 o1 h6
+!
+c2h3coch3 = c2h3coch3 !WATCHOUT [0.0, 0.2506091606130641, 0.25061468466838377]
+c2h5chco = c2h5chco !WATCHOUT [0.0, 0.2506091606130641, 0.25061468466838377]
+sc3h5cho = sc3h5cho !WATCHOUT [0.0, 0.2506091606130641, 0.25061468466838377]
+ic3h5cho = ic3h5cho !WATCHOUT [0.0, 0.2506091606130641, 0.25061468466838377]
+ic3h6co = ic3h6co !WATCHOUT [0.0, 0.2506091606130641, 0.25061468466838377]
+!CHECK c4h6o25 = ['ac3h5cho', None, None] ![0.8356177120371499, 0.2506091606130641, 0.25061468466838377] 6.9
+! ic3h5cho : 0 2/44 sc3h5cho : 0 2/13 ic3h6co : 0 2/12 ac3h5cho : 0 2/13 c2h3coch3 : 0 2/70 c2h5chco : 0 2/6
+!CHECK c2h3choch2 = [None, None, None] ![0, 0.2506091606130641, 0.25061468466838377] 0.0
+! ic3h5cho : 0 2/44 sc3h5cho : 0 2/13 ic3h6co : 0 2/12 ac3h5cho : 0 2/13 c2h3coch3 : 0 2/70 c2h5chco : 0 2/6
+!CHECK c4h6o23 = [None, None, None] ![0, 0.2506091606130641, 0.25061468466838377] 0.0
+! ic3h5cho : 0 4/44 sc3h5cho : 0 4/13 ic3h6co : 0 4/12 ac3h5cho : 0 4/13 c2h3coch3 : 0 4/70 c2h5chco : 0 4/6
+ch3chchcho = ac3h5cho ![None, 'c2h3coch3', 'c2h3coch3'] ![0, 0.2506091606130641, 0.25061468466838377] 0.0
+! ic3h5cho : 4 12/44 sc3h5cho : 4 12/13 ic3h6co : 0 12/12 ac3h5cho : 0 12/13 c2h3coch3 : 0 12/70 c2h5chco : 0 12/6
+!
+! c4 o1 h7
+!
+c4h7o = c4h7o
+c2h5coch2 = c2h5coch2
+ch2ch2coch3 = ch2ch2coch3
+ch3chcoch3 = ch3chcoch3
+nc3h7co = nc3h7co
+c3h6cho-1 = c3h6cho-1
+c3h6cho-2 = c3h6cho-2
+c3h6cho-3 = c3h6cho-3
+ic4h7o = ic4h7o
+tc3h6cho = tc3h6cho
+ic3h6cho = ic3h6cho
+ic3h7co = ic3h7co
+ic4h6oh = ic4h6oh
+!
+! c4 o1 h8
+!
+c4h8o1-2 = c4h8o1-2
+c4h8o1-3 = c4h8o1-3
+c4h8o1-4 = c4h8o1-4
+c4h8o2-3 = c4h8o2-3
+ic4h8o = ic4h8o
+cc4h8o = cc4h8o
+ic3h7cho = ic3h7cho
+ic4h7oh = ic4h7oh
+c2h5coch3 = c2h5coch3 !Maybe too much isomers. Be careful. Error = [0.0027272423906097455] 0.9
+! c4h8o1-2 : 1 31/10 ic4h8o : 19 31/11 nc3h7cho : 25 31/34 c2h5coch3 : 31 31/33 ic4h7oh : 15 31/24 c4h8o2-3 : 1 31/9 cc4h8o : 1 31/7 c4h8o1-3 : 1 31/8 c4h8o1-4 : 1 31/7 ic3h7cho : 21 31/43
+nc3h7cho = nc3h7cho !Maybe too much isomers. Be careful. Error = [0.04736014880893812] 2.3
+! c4h8o1-2 : 1 18/10 ic4h8o : 16 18/11 nc3h7cho : 18 18/34 c2h5coch3 : 18 18/33 ic4h7oh : 11 18/24 c4h8o2-3 : 1 18/9 cc4h8o : 1 18/7 c4h8o1-3 : 1 18/8 c4h8o1-4 : 1 18/7 ic3h7cho : 16 18/43
+!
+! c4 o1 h9
+!
+pc4h9o = pc4h9o !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+sc4h9o = sc4h9o !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+pc4h8oh = pc4h8oh !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+sc4h8oh = sc4h8oh !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+tc4h9o = tc4h9o !['tc4h9o', 'tc4h9o', 'tc4h9o'] ![0.06120233861168352, 0.15546841520560883, 0.15847803487114234] 4.7
+! ic4h8oh : 0 31/4 sc4h8oh : 0 31/2 sc4h9o : 27 31/31 ic4h9o : 29 31/37 pc4h9o : 29 31/30 tc4h9o : 31 31/31 pc4h8oh : 0 31/2
+ic4h9o = ic4h9o !['ic4h9o', 'ic4h9o', 'ic4h9o'] ![0.14291501626842582, 0.15546841520560883, 0.15847803487114234] 4.1
+! ic4h8oh : 1 37/4 sc4h8oh : 0 37/2 sc4h9o : 26 37/31 ic4h9o : 37 37/37 pc4h9o : 29 37/30 tc4h9o : 30 37/31 pc4h8oh : 0 37/2
+ic4h8oh = ic4h8oh !WATCHOUT [0.0, 0.1554004349610944, 0.15836796568096256]
+!
+! c4 o2 h5
+!
+oc4h5o = cxocccjxo !diff<0.1
+!
+! c4 o2 h6
+!
+oc4h6o = cxocccxo
+!
+! c4 o2 h7
+!
+tc3h6ocho = tc3h6ocho
+!
+! c4 o2 h8
+!
+ic4h7ooh = ic4h7ooh
+tc3h6ohcho = tc3h6ohcho
+!
+! c4 o2 h9
+!
+pc4h9o2 = pc4h9o2
+sc4h9o2 = sc4h9o2
+c4h8ooh1-1 = c4h8ooh1-1
+c4h8ooh1-2 = c4h8ooh1-2
+c4h8ooh1-3 = c4h8ooh1-3
+c4h8ooh1-4 = c4h8ooh1-4
+c4h8ooh2-1 = c4h8ooh2-1
+c4h8ooh2-2 = c4h8ooh2-2
+c4h8ooh2-3 = c4h8ooh2-3
+c4h8ooh2-4 = c4h8ooh2-4
+ic4h9o2 = ic4h9o2
+tc4h8o2h-i = tc4h8o2h-i
+ic4h8o2h-i = ic4h8o2h-i
+ic4h8o2h-t = ic4h8o2h-t
+tc4h9o2 = tc4h9o2 !Maybe too much isomers. Be careful. Error = [0.06331177844704028] 3.7
+! ic4h8o2h-i : 1 47/4 pc4h9o2 : 39 47/47 c4h8ooh1-4 : 1 47/3 c4h8ooh2-2 : 0 47/1 c4h8ooh2-4 : 1 47/4 c4h8ooh2-1 : 2 47/5 ic4h8o2h-t : 2 47/6 c4h8ooh1-3 : 1 47/4 c4h8ooh2-3 : 2 47/4 ic4h9o2 : 45 47/48 tc4h9o2 : 47 47/47 c4h8ooh1-2 : 2 47/4 tc4h8o2h-i : 2 47/5 sc4h9o2 : 37 47/48 c4h8ooh1-1 : 0 47/1
+!
+! c4 o2 h10
+!
+pc4h9o2h = pc4h9o2h !WATCHOUT [0.0, 0.001358573952967858, 0.011459600469185507]
+sc4h9o2h = sc4h9o2h !WATCHOUT [0.0, 0.001358573952967858, 0.011459600469185507]
+ic4h9o2h = ic4h9o2h !WATCHOUT [0.0, 0.001358573952967858, 0.011459600469185507]
+tc4h9o2h = tc4h9o2h !Should be ok 0.7
+!
+! c4 o3 h7
+!
+ch3choococh3 = ch3choococh3
+ch2choohcoch3 = ch2choohcoch3
+tc3h6o2cho = tc3h6o2cho
+tc3h6o2hco = tc3h6o2hco
+ic3h5o2hcho = ic3h5o2hcho
+!
+! c4 o3 h8
+!
+nc4ket12 = nc4ket12
+nc4ket13 = nc4ket13
+nc4ket14 = nc4ket14
+nc4ket21 = nc4ket21
+nc4ket23 = nc4ket23
+nc4ket24 = nc4ket24
+ic4ketii = ic4ketii
+ic4ketit = ic4ketit
+!
+! c4 o3 h9
+!
+c4h8oh-1o2 = c4h8oh-1o2
+c4h8oh-2o2 = c4h8oh-2o2
+io2c4h8oh = io2c4h8oh
+!
+! c4 o4 h9
+!
+c4h8ooh1-2o2 = c4h8ooh1-2o2
+c4h8ooh1-3o2 = c4h8ooh1-3o2
+c4h8ooh1-4o2 = c4h8ooh1-4o2
+c4h8ooh2-1o2 = c4h8ooh2-1o2
+c4h8ooh2-3o2 = c4h8ooh2-3o2
+c4h8ooh2-4o2 = c4h8ooh2-4o2
+tc4h8ooh-io2 = tc4h8ooh-io2
+ic4h8ooh-io2 = ic4h8ooh-io2
+ic4h8ooh-to2 = ic4h8ooh-to2
+tic4h7q2-i = tic4h7q2-i
+iic4h7q2-i = iic4h7q2-i
+iic4h7q2-t = iic4h7q2-t
+!
+! c5 h5
+!
+c5h5 = cy13pd5j !diff<0.1
+c#cc*ccj = cjcxcc#c !diff<0.1
+!
+! c5 h6
+!
+c5h6 = cy13pd !diff<0.1
+c5h6-l = None !diff<0.1
+!
+! c5 h7
+!
+c*ccjc*c = cxccjcxc !['cxccjcxc', 'ic5h7', 'cxccxccj'] ![7.671176932168338e-07, 0.32787025630970595, 0.34274016710596666] 0.0
+! ic5h7 : 0 5/10 cxccxccj : 3 5/10 cxccjcxc : 3 5/2 cyc5h7u1 : 3 5/5
+c5h7 = cyc5h7u1 !['cyc5h7u1', 'cxccjcxc', 'cxccjcxc'] ![0.34830282629656095, 0.32787025630970595, 0.34274016710596666] 4.6
+! ic5h7 : 0 7/10 cxccxccj : 1 7/10 cxccjcxc : 1 7/2 cyc5h7u1 : 3 7/5
+c*cc*ccj = cxccxccj !['cxccxccj', 'cxccxccj', 'cyc5h7u1'] ![1.961887211819581e-06, 0.32787025630970595, 0.34274016710596666] 0.0
+! ic5h7 : 2 7/10 cxccxccj : 7 7/10 cxccjcxc : 1 7/2 cyc5h7u1 : 3 7/5
+!
+! c5 h8
+!
+c*cc*cc = cxccxcc !diff<0.1
+!
+! c5 o1 h3
+!
+c5h3o = cpdjone
+!
+! c5 o1 h4
+!
+c5h4o = cypdone
+!
+! c5 o1 h5
+!
+c5h5o = cyc5h5oj !diff<0.1
+c5h4oh = cyc5h4oh !diff<0.1
+cj*cc*cc*o = oxccxccxcj !diff<0.1
+c*cc*ccj*o = oxcjcxccxc !diff<0.1
+!
+! c5 o1 h6
+!
+c5h5oh = cyc5h5oh
+!
+! c5 o1 h7
+!
+!CHECK c*ccjc*coh = ['ic3h5chcho', 'ic3h5chcho', 'c4h6cho2-11'] ![0.004924733474777585, 0.004924733474777585, 0.005291681686872711] 0.7
+! c4h6cho1-44 : 0 2/4 c4h6cho1-43 : 0 2/7 c4h7co1-2 : 0 2/4 sc2h4coc2h3 : 0 2/4 c4h7co2-2 : 0 2/4 ic5h7o : 0 2/3 ic3h5coch2 : 0 2/7 c4h6cho1-23 : 0 2/4 c4h7co1-1 : 0 2/4 ac3h4ch2cho : 1 2/5 ic3h5chcho : 0 2/4 pc2h4coc2h3 : 0 2/4 c4h6cho1-24 : 0 2/4 ic3h6chco : 0 2/1 c4h6cho2-21 : 0 2/4 ac3h4coch3 : 0 2/7 c4h6cho2-11 : 0 2/4 c4h7co2-1 : 0 2/4 c4h6cho1-14 : 0 2/4 ic4h7co : 0 2/5 c4h6cho2-24 : 0 2/4 c4h6cho1-13 : 0 2/4 ac3h5chcho : 0 2/1 c4h7co1-4 : 0 2/4
+!
+! c5 o1 h8
+!
+c*cc*ccoh = cxccxccoh !diff<0.1
+!
+! c5 o1 h9
+!
+tc4h8cho = tc4h8cho
+!
+! c5 o2 h7
+!
+oc5h7o = cxocccjcxo
+!
+! c5 o3 h9
+!
+o2c4h8cho = o2c4h8cho
+o2hc4h8co = o2hc4h8co
+!
+! c6 h4
+!
+!CHECK l-c6h4 = [None, None, None] ![0, 1.3919458560059883, 1.442879004595826] 0.0
+! c6h4 : 1 7/2
+!CHECK c-c6h4 = ['c6h4', 'c6h4', None] ![1.3919458560059883, 1.3919458560059883, 1.442879004595826] 35.3
+! c6h4 : 1 3/2
+!CHECK o-c6h4 = [None, None, 'c6h4'] ![0, 1.3919458560059883, 1.442879004595826] 0.0
+! c6h4 : 0 2/2
+!
+! c6 h5
+!
+c6h5 = c6h5
+!
+! c6 h6
+!
+c6h6 = c6h6 !diff<0.1
+fulvene = fulvene !diff<0.1
+!
+! c6 h8
+!
+c5h5ch3 = ch3cy24pd
+!
+! c6 o1 h5
+!
+c6h5o = c6h5oj !diff<0.1
+c6h4oh = c6h4oh !diff<0.1
+!
+! c6 o1 h6
+!
+c6h5oh = c6h5oh
+!
+! c6 o2 h4
+!
+p-c6h4o2 = oc6h4o !diff<0.1
+o-c6h4o2 = None !diff<0.1
+!
+! c6 o2 h5
+!
+c6h5oo = c6h5o2 !['c6h5o2', 'c6jyoo', 'c6jyoo'] ![0.16375839377112977, 2.649702531863828, 2.714214371580243] 10.2
+! c6jyoo : 0 4/2 rodc6jdo : 0 4/6 c6h5o2 : 2 4/4 yoc6jdo : 1 4/3
+!CHECK oc6h4oh = ['yoc6jdo', 'yoc6jdo', 'yoc6jdo'] ![0.8200580111261373, 2.649702531863828, 2.714214371580243] 25.4
+! c6jyoo : 0 4/2 rodc6jdo : 1 4/6 c6h5o2 : 1 4/4 yoc6jdo : 0 4/3
+!CHECK p-oc6h5oj = ['c6jyoo', 'c6h5o2', 'rodc6jdo'] ![4.458683652408145, 2.649702531863828, 2.714214371580243] 70.7
+! c6jyoo : 0 1/2 rodc6jdo : 1 1/6 c6h5o2 : 0 1/4 yoc6jdo : 0 1/3
+o-oc6h5oj = yoc6jdo !['rodc6jdo', 'rodc6jdo', 'c6h5o2'] ![0.24308929674356902, 2.649702531863828, 2.714214371580243] 18.6
+! c6jyoo : 0 2/2 rodc6jdo : 2 2/6 c6h5o2 : 0 2/4 yoc6jdo : 0 2/3
+!
+! c7 h7
+!
+c6h5ch2 = c6h5ch2j !diff<0.1
+c6h4ch3 = c6h4ch3 !diff<0.1
+!
+! c7 h8
+!
+c6h5ch3 = c6h5ch3 !diff<0.1
+!
+! c7 o1 h5
+!
+c6h5co = c6h5cjo
+!
+! c7 o1 h6
+!
+c6h5cho = c6h5cho !diff<0.1
+!
+! c7 o1 h7
+!
+c6h5ch2o = c6h5ch2oj !WATCHOUT [0.0, 0.01644719487726268, 0.02004073912854906]
+oc6h4ch3 = oc6h4ch3 !['hoc6h4ch2', 'oc6h4ch3', 'hoc6h4ch2'] ![0.00857876614486959, 0.01644719487726268, 0.02004073912854906] 2.5
+! oc6h4ch3 : 17 23/19 hoc6h4ch2 : 11 23/19 c6h5choh : 5 23/9 c6h5ch2oj : 8 23/21
+hoc6h4ch2 = hoc6h4ch2 !['oc6h4ch3', 'hoc6h4ch2', 'oc6h4ch3'] ![0.017007690230880675, 0.01644719487726268, 0.02004073912854906] 5.2
+! oc6h4ch3 : 12 24/19 hoc6h4ch2 : 18 24/19 c6h5choh : 5 24/9 c6h5ch2oj : 6 24/21
+c6h5choh = c6h5choh !['c6h5choh', 'c6h5choh', 'c6h5choh'] ![0.006226914907127187, 0.01644719487726268, 0.02004073912854906] 1.3
+! oc6h4ch3 : 9 19/19 hoc6h4ch2 : 15 19/19 c6h5choh : 5 19/9 c6h5ch2oj : 4 19/21
+!
+! c7 o1 h8
+!
+c6h5ch2oh = c6h5ch2oh !diff<0.1
+hoc6h4ch3 = hoc6h4ch3 !diff<0.1
+!
+! c7 o2 h5
+!
+hoc6h4co = hoc6h4co
+!
+! c7 o2 h6
+!
+hoc6h4cho = hoc6h4cho
+!
+! c7 o2 h7
+!
+c6h5ch2oo = c6h5ch2ooj !WATCHOUT [0.0, 0.008313480129297585, 0.008313480129297585]
+hoc6h4ch2o = hoc6h4ch2o !['hoc6h4ch2o', 'hoc6h4ch2o', 'o2c6h4ch3'] ![0.008313480129297585, 0.008313480129297585, 0.008313480129297585] 3.9
+! o2c6h4ch3 : 0 4/4 c6h5ch2ooj : 0 4/13 hoc6h4ch2o : 1 4/4 rodc6j(c)do : 0 4/3
+!
+! c7 o2 h8
+!
+bzcooh = c6h5ch2ooh
+!
+! c7 o3 h7
+!
+hoc6h4ch2oo = hoc6h4ch2oo
+!
+! c7 o3 h8
+!
+hoc6h4ch2ooh = hoc6h4ch2ooh
+!
+! c8 h6
+!
+c6h5c2h = c6h5c2h
+!
+! c8 h7
+!
+c6h5cch2 = None !Should be ok 0.0
+c6h5chch = c6h5c2h2 !Should be ok but look : ['c6h5c2h2', 'c6h5c2h2', None] [0.1424438802928685, 0.1424438802928685, 0.19909915378291684] 18.1
+c6h4c2h3 = None !Should be ok but look : [None, None, 'c6h5c2h2'] [0, 0.1424438802928685, 0.19909915378291684] 0.0
+!
+! c8 h8
+!
+c6h5c2h3 = styr
+!
+! c8 h9
+!
+c6h5chch3 = c6h5c2h4s !Should be ok but look : ['c6h5c2h4s', 'c6h5c2h4s', 'c6h5c2h4p'] [0.03202567040697454, 0.037397220669006616, 0.2509400194089932] 2.8
+c6h5ch2ch2 = c6h5c2h4p !Should be ok but look : ['c6h5c2h4p', 'c6h5c2h4p', 'c6h5c2h4s'] [0.01931084018757886, 0.037397220669006616, 0.2509400194089932] 1.4
+!
+! c8 h10
+!
+c6h5c2h5 = c6h5c2h5 !Should be ok but look : ['c6h5c2h5', 'c6h5c2h5', 'xylene'] [0.00879580681341189, 0.00879580681341189, 0.011632464567743944] 1.4
+!
+! c9 h8
+!
+ind = ind
+!
+! c9 h10
+!
+c6h5c3h5-1 = cr3 !['cr4', 'cr4', 'cr4'] ![0.030277476674755683, 0.03029855612257331, 0.03468522559583845] 2.1
+! cr3 : 0 0/4 cr4 : 0 0/2
+c6h5c3h5-2 = cr4 ![None, None, 'cr3'] ![0, 0.03029855612257331, 0.03468522559583845] 0.0
+! cr3 : 0 0/4 cr4 : 0 0/2
+!CHECK ch3c6h4c2h3 = ['cr3', 'cr3', None] ![0.0011300041249261577, 0.03029855612257331, 0.03468522559583845] 0.5
+! cr3 : 0 2/4 cr4 : 0 2/2
+!
+! c10 h8
+!
+naph = naph
+!
+! c10 h9
+!
+c10h9 = c10h9 !WATCHOUT [0.0, 0.32708165860438465, 2.1206323789390464]
+!CHECK a1c2h3ac = bicpdj !Should be ok but look : ['bicpdj', 'bicpdj', 'c10h9'] [0.32708165860438465, 0.32708165860438465, 2.1206323789390464] 26.3
+!
+! c10 h10
+!
+c10h10 = c10h10 !WATCHOUT [0.0, 0.2233890223110808, 1.3701088373241301]
+!CHECK c6h5c4h5 = bicpd !Should be ok but look : ['bicpd', 'bicpd', 'c10h10'] [0.2233890223110808, 0.2233890223110808, 1.3701088373241301] 13.7
+!
+! c10 h12
+!
+!CHECK c6h5c4h7-3 = [None, None, 'cr5'] ![0, 0.8904559384322908, 0.8904916260332034] 0.0
+! cr5 : 0 20/2 dicypd : 0 20/1
+!CHECK c6h5c4h7-2 = ['cr5', 'cr5', None] ![0.006128528187810441, 0.8904559384322908, 0.8904916260332034] 1.1
+! cr5 : 0 20/2 dicypd : 0 20/1
+!CHECK c6h5c4h7-1 = ['dicypd', 'dicypd', 'dicypd'] ![0.890434848504697, 0.8904559384322908, 0.8904916260332034] 34.5
+! cr5 : 0 29/2 dicypd : 0 29/1
+!
+! c14 h10
+!
+c14h10 = None !diff<0.1
+phnthrn = phena !diff<0.1
+!
+! c14 h11
+!
+c14h11 = phcchph
+!
+! c14 h12
+!
+c14h12 = stylben
+!
+! c14 h13
+!
+c14h13 = c14h13
+!
+! c14 h14
+!
+c14h14 = c14h14
+!
+! c14 o2 h13
+!
+c14h13oo = c14h13oo !None !Should be ok but look : [None, None, 'c14h13oo'] [0, 0.008760923193641027, 0.013353837176682922] 0.0
+c14h12ooh = None !Should be ok but look : ['c14h13oo', 'c14h13oo', None] [0.008760923193641027, 0.008760923193641027, 0.013353837176682922] 2.2
diff --git a/Exemple/Results full merging/tmp_species_traduction.tmp b/Exemple/Results full merging/tmp_species_traduction.tmp
new file mode 100644
index 0000000000000000000000000000000000000000..c803a62e10c1cac1432d74e4878d48540d747763
--- /dev/null
+++ b/Exemple/Results full merging/tmp_species_traduction.tmp
@@ -0,0 +1,992 @@
+! TEMPORARY TRADUCTION FILE
+! Choose an isomer for every line commented by a "!CHECK" and rename the file into tmp_speces_traduction.inp
+! Made with 10000 permutations allowed.
+! [X, Y, Z] :
+! X = error between species to trad and the traduction
+! Y = error of the best fit for all isomers
+! Z = error of the second best fit for all isomers
+!
+! ar1
+![ar]
+!
+ar = ar
+!
+! he1
+![he]
+!
+he = he
+!
+! h1
+![h]
+!
+h = h
+!
+! h2
+![h2]
+!
+h2 = h2
+!
+! o1
+![o]
+!
+o = o
+!
+! o1 h1
+![oh]
+!
+oh = oh !diff<0.1
+oh* = None !diff<0.1
+!
+! o1 h2
+![h2o]
+!
+h2o = h2o
+!
+! o2
+![o2]
+!
+o2 = o2
+!
+! o2 h1
+![ho2]
+!
+ho2 = ho2
+!
+! o2 h2
+![h2o2]
+!
+h2o2 = h2o2
+!
+! c1
+![c]
+!
+c = c
+!
+! c1 h1
+![ch]
+!
+ch = ch !diff<0.1
+ch* = None !diff<0.1
+!
+! c1 h2
+![ch2, ch2(s)]
+!
+ch2 = ch2 !diff<0.1
+ch2(s) = ch2(s) !diff<0.1
+!
+! c1 h3
+![ch3]
+!
+ch3 = ch3
+!
+! c1 h4
+![ch4]
+!
+ch4 = ch4
+!
+! c1 o1
+![co]
+!
+co = co
+!
+! c1 o1 h1
+![hco]
+!
+hco = hco
+!
+! c1 o1 h2
+![ch2o]
+!
+ch2o = ch2o !diff<0.1
+hcoh = None !diff<0.1
+!
+! c1 o1 h3
+![ch2oh, ch3o]
+!
+ch2oh = ch2oh !diff<0.1
+ch3o = ch3o !diff<0.1
+!
+! c1 o1 h4
+![ch3oh]
+!
+ch3oh = ch3oh
+!
+! c1 o2
+![co2]
+!
+co2 = co2
+!
+! c1 o2 h1
+![ocho]
+!
+hoco = None !diff<0.1
+ocho = ocho !diff<0.1
+!
+! c1 o2 h2
+![hocho]
+!
+hocho = hocho
+!
+! c1 o2 h3
+![hoch2o, ch3o2, ch2o2h]
+!
+hoch2o = hoch2o !WATCHOUT [0.0, 0.010532301902552325, 1.2177924498699544]
+ch3o2 = ch3o2 !diff<0.1
+ch2o2h = ch2o2h !WATCHOUT [0.0, 0.010532301902552325, 1.2177924498699544]
+!
+! c1 o2 h4
+![ch3o2h]
+!
+ch3o2h = ch3o2h
+!
+! c1 o3 h1
+![o2cho]
+!
+o2cho = o2cho
+!
+! c1 o3 h2
+![ho2cho]
+!
+ho2cho = ho2cho
+!
+! c1 o3 h3
+![hoch2o2, och2o2h]
+!
+hoch2o2 = hoch2o2
+och2o2h = och2o2h
+!
+! c1 o3 h4
+![hoch2o2h]
+!
+hoch2o2h = hoch2o2h
+!
+! c2 h1
+![c2h]
+!
+c2h = c2h
+!
+! c2 h2
+![c2h2]
+!
+c2h2 = c2h2 !diff<0.1
+h2cc = None !diff<0.1
+!
+! c2 h3
+![c2h3]
+!
+c2h3 = c2h3
+!
+! c2 h4
+![c2h4]
+!
+c2h4 = c2h4
+!
+! c2 h5
+![c2h5]
+!
+c2h5 = c2h5
+!
+! c2 h6
+![c2h6]
+!
+c2h6 = c2h6
+!
+! c2 o1 h1
+![hcco]
+!
+hcco = hcco
+!
+! c2 o1 h2
+![ch2co, hccoh]
+!
+ch2co = ch2co !diff<0.1
+hccoh = hccoh !diff<0.1
+!
+! c2 o1 h3
+![ch3co, ch2cho, c2h3o1-2]
+!
+ch3co = ch3co !Should be ok 1.7
+ch2cho = ch2cho !Should be ok 1.2
+c2h3o1-2 = None !Should be ok but look : [None, None, 'c2h3o1-2'] [0, 0.09223416875105224, 0.3901750941727525] 0.0
+c2h2oh = c2h3o1-2 !Should be ok but look : ['c2h3o1-2', 'c2h3o1-2', None] [0.07819022873142384, 0.09223416875105224, 0.3901750941727525] 1.6
+!
+! c2 o1 h4
+![ch3cho, c2h4o1-2]
+!
+ch3cho = ch3cho !diff<0.1
+c2h4o1-2 = c2h4o1-2 !diff<0.1
+c2h3oh = None !diff<0.1
+!
+! c2 o1 h5
+![pc2h4oh, sc2h4oh, c2h5o, ch3och2]
+!
+pc2h4oh = pc2h4oh !Should be ok 3.1
+sc2h4oh = sc2h4oh !Should be ok 1.9
+c2h5o = c2h5o !Should be ok but look : ['c2h5o', 'c2h5o', 'ch3och2'] [0.00549890498098247, 0.03225498142089465, 0.12406074848609903] 1.5
+ch3och2 = ch3och2 !Should be ok but look : ['ch3och2', 'ch3och2', 'c2h5o'] [0.021218394132152412, 0.03225498142089465, 0.12406074848609903] 1.8
+!
+! c2 o1 h6
+![c2h5oh, ch3och3]
+!
+c2h5oh = c2h5oh !diff<0.1
+ch3och3 = ch3och3 !diff<0.1
+!
+! c2 o2 h2
+![hcohco]
+!
+chocho = hcohco
+!
+! c2 o2 h3
+![ch3co2, ch3oco, ch2ocho]
+!
+ch3co2 = ch3co2 !WATCHOUT [0.0, 0.0005910385448951966, 0.009803353703555907]
+ch3oco = ch3oco !diff<0.1
+ch2ocho = ch2ocho !WATCHOUT [0.0, 0.0005910385448951966, 0.009803353703555907]
+!
+! c2 o2 h4
+![ch3ocho, c2h3ooh]
+!
+ch3ocho = ch3ocho !diff<0.1
+c2h3ooh = c2h3ooh !WATCHOUT [0.0, 0.0019028312106926708, 46.858589475534174]
+!
+! c2 o2 h5
+![c2h5o2, c2h4o2h, ch3och2o]
+!
+c2h5o2 = c2h5o2 !diff<0.1
+c2h4o2h = c2h4o2h !WATCHOUT [0.0, 0.08961566568074636, 1.1671897633435342]
+ch3och2o = ch3och2o !WATCHOUT [0.0, 0.08961566568074636, 1.1671897633435342]
+!
+! c2 o2 h6
+![c2h5o2h]
+!
+c2h5o2h = c2h5o2h
+!
+! c2 o3 h3
+![ch3co3, och2ocho, hoch2oco]
+!
+ch3co3 = ch3co3 !WATCHOUT [0.0, 0.019132769133293516, 0.11122130880537942]
+och2ocho = och2ocho !Should be ok but look : ['och2ocho', 'och2ocho', 'hoch2oco'] [0.019132769133293516, 0.019132769133293516, 0.11122130880537942] 2.3
+hoch2oco = hoch2oco !WATCHOUT [0.0, 0.019132769133293516, 0.11122130880537942]
+o2ch2cho = None !Should be ok 0.0
+ho2ch2co = None !Should be ok 0.0
+!
+! c2 o3 h4
+![ch3co3h]
+!
+ch3co3h = ch3co3h
+!
+! c2 o3 h5
+![o2c2h4oh, ch3och2o2, ch2och2o2h]
+!
+o2c2h4oh = o2c2h4oh !WATCHOUT [0.0, 0.036693643313206105, 0.3498870315466346]
+ch3och2o2 = ch3och2o2 !Should be ok but look : ['ch3och2o2', 'ch3och2o2', 'o2c2h4oh'] [0.018828027883261475, 0.036693643313206105, 0.3498870315466346] 4.1
+ch2och2o2h = ch2och2o2h !Should be ok 3.9
+!
+! c2 o3 h6
+![ch3och2o2h]
+!
+ch3och2o2h = ch3och2o2h
+!
+! c2 o4 h1
+![dhco2j]
+!
+o2cchooj = dhco2j
+!
+! c2 o4 h4
+![ho2ch2ocho]
+!
+ho2ch2ocho = ho2ch2ocho
+!
+! c2 o5 h5
+![o2ch2och2o2h]
+!
+o2ch2och2o2h = o2ch2och2o2h
+!
+! c3 h2
+![c3h2]
+!
+c3h2 = None !Should be ok but look : [None, None, 'c3h2'] [0, 0.16362974316130688, 0.21167309250026212] 0.0
+c3h2(s) = c3h2 !Should be ok but look : ['c3h2', 'c3h2', None] [0.16362974316130688, 0.16362974316130688, 0.21167309250026212] 22.4
+!
+! c3 h3
+![c3h3]
+!
+c3h3 = c3h3
+!
+! c3 h4
+![c3h4-a, c3h4-p]
+!
+!CHECK c3h4-a = ['c3h4-p', 'c3h4-a', 'c3h4-p'] ![0.0021966141651899376, 0.032703202064777274, 0.1154006207086556] 0.3
+! c3h4-a : 33 47/49 c3h4-p : 20 47/29
+!CHECK c3h4-p = ['c3h4-a', 'c3h4-p', 'c3h4-a'] ![0.11537971288815152, 0.032703202064777274, 0.1154006207086556] 6.3
+! c3h4-a : 21 37/49 c3h4-p : 26 37/29
+cc3h4 = None !Should be ok 0.0
+!
+! c3 h5
+![c3h5-a, c3h5-t, c3h5-s]
+!
+c3h5-a = c3h5-a !Should be ok 0.7
+c3h5-t = c3h5-t !Should be ok but look : ['c3h5-t', 'c3h5-t', 'c3h5-s'] [0.012943342924829085, 0.03070245725053377, 0.09579699348007566] 1.8
+c3h5-s = c3h5-s !Should be ok but look : ['c3h5-s', 'c3h5-s', 'c3h5-t'] [0.0007334191218855231, 0.03070245725053377, 0.09579699348007566] 0.5
+!
+! c3 h6
+![c3h6]
+!
+c3h6 = c3h6
+!
+! c3 h7
+![nc3h7, ic3h7]
+!
+nc3h7 = nc3h7 !diff<0.1
+ic3h7 = ic3h7 !diff<0.1
+!
+! c3 h8
+![c3h8]
+!
+c3h8 = c3h8
+!
+! c3 o1 h3
+![c2h3co, chchcho, ch2ccho, cjxccxo]
+!
+c2h3co = c2h3co
+cj*cc*o = cjxccxo
+!
+! c3 o1 h4
+![c2h3cho, ch3chco]
+!
+c2h3cho = c2h3cho
+ch3chco = ch3chco
+!
+! c3 o1 h5
+![ch3coch2, c2h5co, ch2ch2cho, ch3chcho, c3h5o, ch2cch2oh]
+!
+!CHECK ch3coch2 = ['ch3chcho', 'ch3chcho', 'ch3coch2'] ![0.10119398290717493, 0.10161820514548173, 0.10777491532071092] 5.6
+! ch3coch2 : 14 15/33 ch3chcho : 1 15/15 ch2cch2oh : 5 15/13 c3h5o : 0 15/13 ch2ch2cho : 0 15/20 c2h5co : 9 15/47
+!CHECK c2h5co = ['ch3coch2', 'ch3coch2', 'c2h5co'] ![0.009275636925386656, 0.10161820514548173, 0.10777491532071092] 1.9
+! ch3coch2 : 10 31/33 ch3chcho : 1 31/15 ch2cch2oh : 5 31/13 c3h5o : 0 31/13 ch2ch2cho : 0 31/20 c2h5co : 25 31/47
+ch2ch2cho = ch2ch2cho !WATCHOUT [0.0, 0.10161820514548173, 0.10777491532071092]
+c3h5o = c3h5o !WATCHOUT [0.0, 0.10161820514548173, 0.10777491532071092]
+ch2cch2oh = ch2cch2oh !WATCHOUT [0.0, 0.10161820514548173, 0.10777491532071092]
+!
+! c3 o1 h6
+![ch3coch3, c2h5cho, c3h6o1-3, c3h6o1-2, ic3h5oh, c3h5oh]
+!
+!CHECK ch3coch3 = ['ch3coch3', 'ch3coch3', 'ch3coch3'] ![0.003017831669469848, 0.15360969622147772, 0.1753877819467763] 1.6
+! c3h5oh : 5 21/8 ic3h5oh : 2 21/3 c2h5cho : 12 21/73 ch3coch3 : 21 21/62 c3h6o1-2 : 1 21/10 c3h6o1-3 : 1 21/8
+!CHECK c2h5cho = ['c2h5cho', 'c2h5cho', 'ic3h5oh'] ![0.15283378039718729, 0.15360969622147772, 0.1753877819467763] 4.2
+! c3h5oh : 5 38/8 ic3h5oh : 1 38/3 c2h5cho : 27 38/73 ch3coch3 : 11 38/62 c3h6o1-2 : 0 38/10 c3h6o1-3 : 0 38/8
+!CHECK c3h6o1-3 = ['c3h6o1-3', 'c3h6o1-3', 'c3h6o1-3'] ![0.009334041702063882, 0.15360969622147772, 0.1753877819467763] 2.1
+! c3h5oh : 0 8/8 ic3h5oh : 0 8/3 c2h5cho : 0 8/73 ch3coch3 : 1 8/62 c3h6o1-2 : 8 8/10 c3h6o1-3 : 8 8/8
+!CHECK c3h6o1-2 = ['c3h6o1-2', 'c3h6o1-2', 'c3h6o1-2'] ![0.01013109847126786, 0.15360969622147772, 0.1753877819467763] 1.0
+! c3h5oh : 0 10/8 ic3h5oh : 0 10/3 c2h5cho : 0 10/73 ch3coch3 : 2 10/62 c3h6o1-2 : 10 10/10 c3h6o1-3 : 9 10/8
+ic3h5oh = ic3h5oh !WATCHOUT [0.0, 0.15360969622147772, 0.1753877819467763]
+!CHECK c3h5oh = ['c3h5oh', 'c3h5oh', 'c3h5oh'] ![0.006237270560377284, 0.15360969622147772, 0.1753877819467763] 1.2
+! c3h5oh : 7 7/8 ic3h5oh : 0 7/3 c2h5cho : 5 7/73 ch3coch3 : 5 7/62 c3h6o1-2 : 0 7/10 c3h6o1-3 : 0 7/8
+!
+! c3 o1 h7
+![nc3h7o, ic3h7o, c3h6oh, tc3h6oh]
+!
+nc3h7o = nc3h7o !Should be ok but look : ['nc3h7o', 'nc3h7o', 'ic3h7o'] [0.0840163932265931, 0.0840163932265931, 0.1151865001302013] 2.9
+ic3h7o = ic3h7o !WATCHOUT [0.0, 0.0840163932265931, 0.1151865001302013]
+c3h6oh = c3h6oh !WATCHOUT [0.0, 0.0840163932265931, 0.1151865001302013]
+tc3h6oh = tc3h6oh !WATCHOUT [0.0, 0.0840163932265931, 0.1151865001302013]
+!
+! c3 o2 h3
+![cxocjcxo]
+!
+hoc*ccj*o = cxocjcxo
+!
+! c3 o2 h4
+![cxoccxo]
+!
+hoc*cc*o = cxoccxo
+!
+! c3 o2 h6
+![ac3h5ooh]
+!
+ac3h5ooh = ac3h5ooh
+!
+! c3 o2 h7
+![c3h6ooh1-3, c3h6ooh1-2, c3h6ooh2-1, c3h6ooh2-2, nc3h7o2, ic3h7o2]
+!
+c3h6ooh1-3 = c3h6ooh1-3 !WATCHOUT [0.0, 0.2231599821541535, 0.2231599821541535]
+c3h6ooh1-2 = c3h6ooh1-2 !WATCHOUT [0.0, 0.2231599821541535, 0.2231599821541535]
+c3h6ooh2-1 = c3h6ooh2-1 !WATCHOUT [0.0, 0.2231599821541535, 0.2231599821541535]
+c3h6ooh2-2 = c3h6ooh2-2 !WATCHOUT [0.0, 0.2231599821541535, 0.2231599821541535]
+!CHECK nc3h7o2 = ['nc3h7o2', 'nc3h7o2', 'nc3h7o2'] ![0.2231599821541535, 0.2231599821541535, 0.2231599821541535] 4.8
+! c3h6ooh2-1 : 3 58/6 ic3h7o2 : 43 58/44 c3h6ooh1-3 : 2 58/4 c3h6ooh1-2 : 3 58/5 nc3h7o2 : 44 58/44 c3h6ooh2-2 : 2 58/2
+ic3h7o2 = ic3h7o2 !WATCHOUT [0.0, 0.2231599821541535, 0.2231599821541535]
+!
+! c3 o2 h8
+![nc3h7o2h, ic3h7o2h]
+!
+nc3h7o2h = nc3h7o2h !diff<0.1
+ic3h7o2h = ic3h7o2h !WATCHOUT [0.0, 0.0011674070593323993, 0.02856762464969093]
+!
+! c3 o3 h5
+![ch3coch2o2]
+!
+ch3coch2o2 = ch3coch2o2
+!
+! c3 o3 h6
+![ch3coch2o2h, c3ket12, c3ket13, c3ket21]
+!
+c3ket12 = c3ket12
+c3ket13 = c3ket13
+c3ket21 = c3ket21
+!
+! c3 o3 h7
+![hoc3h6o2]
+!
+hoc3h6o2 = hoc3h6o2
+!
+! c3 o4 h7
+![c3h6ooh1-2o2, c3h6ooh1-3o2, c3h6ooh2-1o2, c3h51-2,3ooh, c3h52-1,3ooh]
+!
+c3h6ooh1-2o2 = c3h6ooh1-2o2
+c3h6ooh1-3o2 = c3h6ooh1-3o2
+c3h6ooh2-1o2 = c3h6ooh2-1o2
+c3h51-2,3ooh = c3h51-2,3ooh
+c3h52-1,3ooh = c3h52-1,3ooh
+!
+! c4 h2
+![c4h2]
+!
+c4h2 = c4h2
+!
+! c4 h3
+![nc4h3]
+!
+c4h3-i = None !diff<0.1
+c4h3-n = nc4h3 !diff<0.1
+!
+! c4 h4
+![c4h4]
+!
+c4h4 = c4h4
+!
+! c4 h5
+![c4h5, nc4h5]
+!
+c4h5-n = nc4h5 !diff<0.1
+c4h5-i = c4h5 !WATCHOUT [0.0, 0.0043459950213613355, 0.17638573018529646]
+c4h5-2 = None !diff<0.1
+!
+! c4 h6
+![c4h6, ch2cchch3]
+!
+!CHECK c4h6 = ['c4h6', 'ch2cchch3', 'ch2cchch3'] ![0.00920103351222573, 1.2429604781196872, 1.5624136527166466] 0.5
+! ch2cchch3 : 0 64/3 c4h6 : 20 64/47
+c4h612 = None !Should be ok but look : [None, None, 'c4h6'] [0, 1.2429604781196872, 1.5624136527166466] 0.0
+!CHECK c4h6-2 = ['ch2cchch3', 'c4h6', None] ![1.7769895169972536, 1.2429604781196872, 1.5624136527166466] 25.5
+! ch2cchch3 : 0 7/3 c4h6 : 0 7/47
+!
+! c4 h7
+![c4h71-1, c4h71-2, c4h71-3, c4h71-4, c4h72-2, ic4h7, ic4h7-i1]
+!
+c4h71-1 = c4h71-1 !Should be ok 1.0
+c4h71-2 = ic4h7-i1 !Should be ok 0.8
+!CHECK c4h71-3 = ['c4h71-3', 'ic4h7', 'ic4h7'] ![0.05208737005276926, 0.02851743243733546, 0.036088078017379746] 3.1
+! ic4h7 : 24 54/56 c4h71-3 : 51 54/67 ic4h7-i1 : 0 54/7 c4h72-2 : 0 54/5 c4h71-2 : 4 54/9 c4h71-1 : 4 54/8 c4h71-4 : 13 54/21
+c4h71-4 = c4h71-4 !Should be ok 0.6
+c4h72-2 = c4h72-2 !Should be ok but look : ['c4h72-2', 'c4h72-2', 'c4h71-2'] [0.0005536791751076464, 0.02851743243733546, 0.036088078017379746] 0.6
+!CHECK ic4h7 = ['ic4h7', 'c4h71-3', 'c4h71-3'] ![0.0005983044446752468, 0.02851743243733546, 0.036088078017379746] 0.5
+! ic4h7 : 36 36/56 c4h71-3 : 20 36/67 ic4h7-i1 : 1 36/7 c4h72-2 : 1 36/5 c4h71-2 : 3 36/9 c4h71-1 : 2 36/8 c4h71-4 : 5 36/21
+!
+! c4 h8
+![c4h8-1, c4h8-2, ic4h8]
+!
+c4h8-1 = c4h8-1 !Should be ok 0.7
+!CHECK c4h8-2 = ['c4h8-2', 'ic4h8', 'c4h8-2'] ![0.0001198587085541333, 0.022956371555866485, 0.03930212536267332] 0.3
+! c4h8-1 : 22 23/70 c4h8-2 : 22 23/25 ic4h8 : 15 23/93
+!CHECK ic4h8 = ['ic4h8', 'c4h8-2', 'ic4h8'] ![0.03866198946125357, 0.022956371555866485, 0.03930212536267332] 1.4
+! c4h8-1 : 24 38/70 c4h8-2 : 20 38/25 ic4h8 : 38 38/93
+!
+! c4 h9
+![pc4h9, sc4h9, ic4h9, tc4h9]
+!
+pc4h9 = pc4h9 !WATCHOUT [0.0, 0.016830253914486077, 0.03865308078955329]
+sc4h9 = sc4h9 !WATCHOUT [0.0, 0.016830253914486077, 0.03865308078955329]
+ic4h9 = ic4h9 !Should be ok 2.4
+tc4h9 = tc4h9 !Should be ok 0.5
+!
+! c4 h10
+![c4h10, ic4h10]
+!
+c4h10 = c4h10 !WATCHOUT [0.0, 0.0021638558792270997, 0.04255034048410851]
+ic4h10 = ic4h10 !diff<0.1
+!
+! c4 o1 h4
+![cxccxcxo]
+!
+c4h4o = None !diff<0.1
+vk = cxccxcxo !diff<0.1
+!
+! c4 o1 h5
+![sc3h5co, ic3h5co, ac3h5co, c2h3chcho, cxcccjxo, cxocxccj]
+!
+sc3h5co = sc3h5co !WATCHOUT [0.0, 0.1684809535437561, 0.1684809535437561]
+ic3h5co = ic3h5co !WATCHOUT [0.0, 0.1684809535437561, 0.1684809535437561]
+!CHECK ch3chchco = ['ac3h5co', 'ic3h5co', 'ic3h5co'] ![0.19862250738994067, 0.1684809535437561, 0.1684809535437561] 11.4
+! cxocxccj : 0 6/3 cxcccjxo : 0 6/2 ac3h5co : 1 6/5 c2h3chcho : 1 6/8 ic3h5co : 3 6/9 sc3h5co : 3 6/7
+!CHECK ch2chchcho = ['cxcccjxo', 'c2h3chcho', 'c2h3chcho'] ![0.19862250738994067, 0.1684809535437561, 0.1684809535437561] 11.4
+! cxocxccj : 0 8/3 cxcccjxo : 0 8/2 ac3h5co : 1 8/5 c2h3chcho : 1 8/8 ic3h5co : 3 8/9 sc3h5co : 3 8/7
+!CHECK c*ccjc*o = ['c2h3chcho', 'ac3h5co', 'cxcccjxo'] ![4.337817483036069e-05, 0.1684809535437561, 0.1684809535437561] 0.1
+! cxocxccj : 0 3/3 cxcccjxo : 0 3/2 ac3h5co : 1 3/5 c2h3chcho : 3 3/8 ic3h5co : 1 3/9 sc3h5co : 1 3/7
+!
+! c4 o1 h6
+![c2h3coch3, c2h5chco, sc3h5cho, ic3h5cho, ic3h6co, ac3h5cho]
+!
+c2h3coch3 = c2h3coch3
+c2h5chco = c2h5chco
+sc3h5cho = sc3h5cho
+ic3h5cho = ic3h5cho
+ic3h6co = ic3h6co
+!CHECK c4h6o25 = ac3h5cho !Maybe too much isomers. Be careful. Error = [0.8356177120371499] 6.9
+! c2h3coch3 : 0 2/70 c2h5chco : 0 2/6 ic3h6co : 0 2/12 ac3h5cho : 0 2/13 ic3h5cho : 0 2/44 sc3h5cho : 0 2/13
+c2h3choch2 = None
+c4h6o23 = None
+ch3chchcho = None
+!
+! c4 o1 h7
+![c4h7o, c2h5coch2, ch2ch2coch3, ch3chcoch3, nc3h7co, c3h6cho-1, c3h6cho-2, c3h6cho-3, ic4h7o, tc3h6cho, ic3h6cho, ic3h7co, ic4h6oh, c4h7o1-4]
+!
+c4h7o = c4h7o
+c2h5coch2 = c2h5coch2
+ch2ch2coch3 = ch2ch2coch3
+ch3chcoch3 = ch3chcoch3
+nc3h7co = nc3h7co
+c3h6cho-1 = c3h6cho-1
+c3h6cho-2 = c3h6cho-2
+c3h6cho-3 = c3h6cho-3
+ic4h7o = ic4h7o
+tc3h6cho = tc3h6cho
+ic3h6cho = ic3h6cho
+ic3h7co = ic3h7co
+ic4h6oh = ic4h6oh
+!
+! c4 o1 h8
+![c4h8o1-2, c4h8o1-3, c4h8o1-4, c4h8o2-3, c2h5coch3, nc3h7cho, ic4h8o, cc4h8o, ic3h7cho, ic4h7oh]
+!
+c4h8o1-2 = c4h8o1-2
+c4h8o1-3 = c4h8o1-3
+c4h8o1-4 = c4h8o1-4
+c4h8o2-3 = c4h8o2-3
+!CHECK c2h5coch3 = c2h5coch3 !Maybe too much isomers. Be careful. Error = [0.0027272423906097455] 0.9
+! c4h8o1-2 : 1 31/10 c4h8o1-3 : 1 31/8 c4h8o2-3 : 1 31/9 ic3h7cho : 21 31/43 c2h5coch3 : 31 31/33 nc3h7cho : 25 31/34 ic4h8o : 19 31/11 cc4h8o : 1 31/7 ic4h7oh : 15 31/24 c4h8o1-4 : 1 31/7
+!CHECK nc3h7cho = nc3h7cho !Maybe too much isomers. Be careful. Error = [0.04736014880893812] 2.3
+! c4h8o1-2 : 1 18/10 c4h8o1-3 : 1 18/8 c4h8o2-3 : 1 18/9 ic3h7cho : 16 18/43 c2h5coch3 : 18 18/33 nc3h7cho : 18 18/34 ic4h8o : 16 18/11 cc4h8o : 1 18/7 ic4h7oh : 11 18/24 c4h8o1-4 : 1 18/7
+ic4h8o = ic4h8o
+cc4h8o = cc4h8o
+ic3h7cho = ic3h7cho
+ic4h7oh = ic4h7oh
+!
+! c4 o1 h9
+![pc4h9o, sc4h9o, pc4h8oh, sc4h8oh, tc4h9o, ic4h9o, ic4h8oh]
+!
+pc4h9o = pc4h9o !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+sc4h9o = sc4h9o !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+pc4h8oh = pc4h8oh !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+sc4h8oh = sc4h8oh !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+!CHECK tc4h9o = ['tc4h9o', 'tc4h9o', 'tc4h9o'] ![0.06120233861168352, 0.15546841520560883, 0.15847803487114234] 4.7
+! tc4h9o : 31 31/31 sc4h8oh : 0 31/2 sc4h9o : 27 31/31 ic4h8oh : 0 31/4 pc4h8oh : 0 31/2 ic4h9o : 29 31/37 pc4h9o : 29 31/30
+!CHECK ic4h9o = ['ic4h9o', 'ic4h9o', 'ic4h9o'] ![0.14291501626842582, 0.15546841520560883, 0.15847803487114234] 4.1
+! tc4h9o : 30 37/31 sc4h8oh : 0 37/2 sc4h9o : 26 37/31 ic4h8oh : 1 37/4 pc4h8oh : 0 37/2 ic4h9o : 37 37/37 pc4h9o : 29 37/30
+ic4h8oh = ic4h8oh !WATCHOUT [0.0, 0.15546841520560883, 0.15847803487114234]
+!
+! c4 o2 h5
+![cxocccjxo, cxccco2j]
+!
+oc4h5o = cxocccjxo !diff<0.1
+!
+! c4 o2 h6
+![cxocccxo]
+!
+oc4h6o = cxocccxo
+!
+! c4 o2 h7
+![tc3h6ocho]
+!
+tc3h6ocho = tc3h6ocho
+!
+! c4 o2 h8
+![ic4h7ooh, tc3h6ohcho, c4h7ooh1-4]
+!
+ic4h7ooh = ic4h7ooh
+tc3h6ohcho = tc3h6ohcho
+!
+! c4 o2 h9
+![pc4h9o2, sc4h9o2, c4h8ooh1-1, c4h8ooh1-2, c4h8ooh1-3, c4h8ooh1-4, c4h8ooh2-1, c4h8ooh2-2, c4h8ooh2-3, c4h8ooh2-4, ic4h9o2, tc4h9o2, tc4h8o2h-i, ic4h8o2h-i, ic4h8o2h-t]
+!
+pc4h9o2 = pc4h9o2
+sc4h9o2 = sc4h9o2
+c4h8ooh1-1 = c4h8ooh1-1
+c4h8ooh1-2 = c4h8ooh1-2
+c4h8ooh1-3 = c4h8ooh1-3
+c4h8ooh1-4 = c4h8ooh1-4
+c4h8ooh2-1 = c4h8ooh2-1
+c4h8ooh2-2 = c4h8ooh2-2
+c4h8ooh2-3 = c4h8ooh2-3
+c4h8ooh2-4 = c4h8ooh2-4
+ic4h9o2 = ic4h9o2
+!CHECK tc4h9o2 = tc4h9o2 !Maybe too much isomers. Be careful. Error = [0.06334993212810047] 3.7
+! c4h8ooh2-2 : 0 47/1 c4h8ooh1-2 : 2 47/4 c4h8ooh2-3 : 2 47/4 c4h8ooh1-4 : 1 47/3 ic4h8o2h-t : 2 47/6 ic4h8o2h-i : 1 47/4 c4h8ooh2-4 : 1 47/4 c4h8ooh1-1 : 0 47/1 c4h8ooh1-3 : 1 47/4 tc4h9o2 : 47 47/47 ic4h9o2 : 45 47/48 tc4h8o2h-i : 2 47/5 pc4h9o2 : 39 47/47 c4h8ooh2-1 : 2 47/5 sc4h9o2 : 37 47/48
+tc4h8o2h-i = tc4h8o2h-i
+ic4h8o2h-i = ic4h8o2h-i
+ic4h8o2h-t = ic4h8o2h-t
+!
+! c4 o2 h10
+![pc4h9o2h, sc4h9o2h, ic4h9o2h, tc4h9o2h]
+!
+pc4h9o2h = pc4h9o2h !WATCHOUT [0.0, 0.0013600266724462697, 0.01148408817309963]
+sc4h9o2h = sc4h9o2h !WATCHOUT [0.0, 0.0013600266724462697, 0.01148408817309963]
+ic4h9o2h = ic4h9o2h !WATCHOUT [0.0, 0.0013600266724462697, 0.01148408817309963]
+tc4h9o2h = tc4h9o2h !Should be ok 0.7
+!
+! c4 o3 h7
+![ch3choococh3, ch2choohcoch3, tc3h6o2cho, tc3h6o2hco, ic3h5o2hcho]
+!
+ch3choococh3 = ch3choococh3
+ch2choohcoch3 = ch2choohcoch3
+tc3h6o2cho = tc3h6o2cho
+tc3h6o2hco = tc3h6o2hco
+ic3h5o2hcho = ic3h5o2hcho
+!
+! c4 o3 h8
+![nc4ket12, nc4ket13, nc4ket14, nc4ket21, nc4ket23, nc4ket24, ic4ketii, ic4ketit]
+!
+nc4ket12 = nc4ket12
+nc4ket13 = nc4ket13
+nc4ket14 = nc4ket14
+nc4ket21 = nc4ket21
+nc4ket23 = nc4ket23
+nc4ket24 = nc4ket24
+ic4ketii = ic4ketii
+ic4ketit = ic4ketit
+!
+! c4 o3 h9
+![c4h8oh-1o2, c4h8oh-2o2, io2c4h8oh]
+!
+c4h8oh-1o2 = c4h8oh-1o2
+c4h8oh-2o2 = c4h8oh-2o2
+io2c4h8oh = io2c4h8oh
+!
+! c4 o4 h9
+![c4h8ooh1-2o2, c4h8ooh1-3o2, c4h8ooh1-4o2, c4h8ooh2-1o2, c4h8ooh2-3o2, c4h8ooh2-4o2, tc4h8ooh-io2, ic4h8ooh-io2, ic4h8ooh-to2, tic4h7q2-i, iic4h7q2-i, iic4h7q2-t]
+!
+c4h8ooh1-2o2 = c4h8ooh1-2o2
+c4h8ooh1-3o2 = c4h8ooh1-3o2
+c4h8ooh1-4o2 = c4h8ooh1-4o2
+c4h8ooh2-1o2 = c4h8ooh2-1o2
+c4h8ooh2-3o2 = c4h8ooh2-3o2
+c4h8ooh2-4o2 = c4h8ooh2-4o2
+tc4h8ooh-io2 = tc4h8ooh-io2
+ic4h8ooh-io2 = ic4h8ooh-io2
+ic4h8ooh-to2 = ic4h8ooh-to2
+tic4h7q2-i = tic4h7q2-i
+iic4h7q2-i = iic4h7q2-i
+iic4h7q2-t = iic4h7q2-t
+!
+! c5 h5
+![cy13pd5j, cjcxcc#c]
+!
+c5h5 = cy13pd5j !diff<0.1
+c#cc*ccj = cjcxcc#c !diff<0.1
+!
+! c5 h6
+![cy13pd]
+!
+c5h6 = cy13pd !diff<0.1
+c5h6-l = None !diff<0.1
+!
+! c5 h7
+![ic5h7, cxccxccj, cyc5h7u1, cxccjcxc]
+!
+!CHECK c*ccjc*c = ['cxccjcxc', 'ic5h7', 'cxccxccj'] ![7.671176932168338e-07, 0.32787025630970595, 0.34274016710596666] 0.0
+! ic5h7 : 0 5/10 cxccxccj : 3 5/10 cyc5h7u1 : 3 5/5 cxccjcxc : 3 5/2
+!CHECK c5h7 = ['cyc5h7u1', 'cxccjcxc', 'cxccjcxc'] ![0.34830282629656095, 0.32787025630970595, 0.34274016710596666] 4.6
+! ic5h7 : 0 7/10 cxccxccj : 1 7/10 cyc5h7u1 : 3 7/5 cxccjcxc : 1 7/2
+!CHECK c*cc*ccj = ['cxccxccj', 'cxccxccj', 'cyc5h7u1'] ![1.961887211819581e-06, 0.32787025630970595, 0.34274016710596666] 0.0
+! ic5h7 : 2 7/10 cxccxccj : 7 7/10 cyc5h7u1 : 3 7/5 cxccjcxc : 1 7/2
+!
+! c5 h8
+![c5h81-3, c5h81-4, ic5h8, cyc5h8, cxccxcc]
+!
+c*cc*cc = cxccxcc !diff<0.1
+!
+! c5 o1 h3
+![cpdjone]
+!
+c5h3o = cpdjone
+!
+! c5 o1 h4
+![cypdone]
+!
+c5h4o = cypdone
+!
+! c5 o1 h5
+![cyc5h5oj, cyc5h4oh, oxcjcxccxc, oxccxccxcj]
+!
+c5h5o = cyc5h5oj !diff<0.1
+c5h4oh = cyc5h4oh !diff<0.1
+cj*cc*cc*o = oxccxccxcj !diff<0.1
+c*cc*ccj*o = oxcjcxccxc !diff<0.1
+!
+! c5 o1 h6
+![cyc5h5oh]
+!
+c5h5oh = cyc5h5oh
+!
+! c5 o1 h7
+![pc2h4coc2h3, sc2h4coc2h3, c4h7co1-4, c4h6cho1-43, c4h6cho1-44, c4h7co1-1, c4h6cho1-14, c4h6cho1-13, ic3h5coch2, ac3h4coch3, c4h7co2-1, c4h6cho2-11, ic5h7o, ic4h7co, ac3h4ch2cho, ic3h5chcho, c4h7co1-2, c4h6cho1-23, c4h6cho1-24, c4h7co2-2, c4h6cho2-21, c4h6cho2-24, ic3h6chco, ac3h5chcho]
+!
+!CHECK c*ccjc*coh = ['ic3h5chcho', 'ic3h5chcho', 'c4h6cho2-11'] ![0.004924733474777585, 0.004924733474777585, 0.005291681686872711] 0.7
+! c4h7co1-4 : 0 2/4 c4h6cho1-43 : 0 2/7 sc2h4coc2h3 : 0 2/4 c4h6cho1-14 : 0 2/4 ic4h7co : 0 2/5 ac3h5chcho : 0 2/1 c4h6cho1-44 : 0 2/4 c4h6cho2-11 : 0 2/4 c4h6cho1-23 : 0 2/4 ac3h4coch3 : 0 2/7 c4h7co2-2 : 0 2/4 c4h6cho2-24 : 0 2/4 ic3h6chco : 0 2/1 pc2h4coc2h3 : 0 2/4 ic3h5chcho : 0 2/4 ac3h4ch2cho : 1 2/5 c4h6cho1-13 : 0 2/4 c4h7co1-2 : 0 2/4 c4h6cho1-24 : 0 2/4 c4h7co1-1 : 0 2/4 ic3h5coch2 : 0 2/7 ic5h7o : 0 2/3 c4h7co2-1 : 0 2/4 c4h6cho2-21 : 0 2/4
+!
+! c5 o1 h8
+![c2h5coc2h3, c4h7cho1-4, c4h7cho1-1, ic3h5coch3, c4h7cho2-1, ic4h7cho, c4h7cho1-2, c4h7cho2-2, ic3h6chcho, cxccxccoh, cy3c5h8o]
+!
+c*cc*ccoh = cxccxccoh !diff<0.1
+!
+! c5 o1 h9
+![tc4h8cho, c5h9o1-3, c5h9o2-4, nc4h9co, c4h8cho-1, c4h8cho-2, c4h8cho-3, c4h8cho-4, nc3h7coch2, c3h6coch3-1, c3h6coch3-2, c3h6coch3-3, c2h5coc2h4p, c2h5coc2h4s, c5h9o1-4, c5h9o1-5, ac5h9o-a2, ac5h9o-c, cc5h9o-b, nc4h9co-2, c4h8cho1-2, c4h8cho2-2, c4h8cho3-2, c4h8cho4-2, ic4h9co, ic3h6ch2cho, tc3h6ch2cho, ic3h7chcho, ic3h7coch2, ic3h6coch3, tc3h6coch3, tc4h9co]
+!
+tc4h8cho = tc4h8cho
+!
+! c5 o2 h7
+![cxocccjcxo]
+!
+oc5h7o = cxocccjcxo
+!
+! c5 o3 h9
+![o2c4h8cho, o2hc4h8co]
+!
+o2c4h8cho = o2c4h8cho
+o2hc4h8co = o2hc4h8co
+!
+! c6 h4
+![c6h4]
+!
+!CHECK l-c6h4 = [None, None, None] ![0, 1.3919458560059883, 1.442879004595826] 0.0
+! c6h4 : 1 7/2
+!CHECK c-c6h4 = ['c6h4', 'c6h4', None] ![1.3919458560059883, 1.3919458560059883, 1.442879004595826] 35.3
+! c6h4 : 1 3/2
+!CHECK o-c6h4 = [None, None, 'c6h4'] ![0, 1.3919458560059883, 1.442879004595826] 0.0
+! c6h4 : 0 2/2
+!
+! c6 h5
+![c6h5, fulvenyl]
+!
+c6h5 = c6h5
+!
+! c6 h6
+![c6h6, fulvene, cxcc(c#c)xc]
+!
+c6h6 = c6h6 !diff<0.1
+fulvene = fulvene !diff<0.1
+!
+! c6 h8
+![ch3cy24pd]
+!
+c5h5ch3 = ch3cy24pd
+!
+! c6 o1 h5
+![c6h4oh, c6h5oj]
+!
+c6h5o = c6h5oj !diff<0.1
+c6h4oh = c6h4oh !diff<0.1
+!
+! c6 o1 h6
+![c6h5oh]
+!
+c6h5oh = c6h5oh
+!
+! c6 o2 h4
+![oc6h4o]
+!
+p-c6h4o2 = oc6h4o !diff<0.1
+o-c6h4o2 = None !diff<0.1
+!
+! c6 o2 h5
+![c6h5o2, yoc6jdo, rodc6jdo, c6jyoo]
+!
+!CHECK c6h5oo = ['c6h5o2', 'c6jyoo', 'c6jyoo'] ![0.16375839377112977, 2.649702531863828, 2.714214371580243] 10.2
+! c6h5o2 : 2 4/4 yoc6jdo : 1 4/3 rodc6jdo : 0 4/6 c6jyoo : 0 4/2
+!CHECK oc6h4oh = ['yoc6jdo', 'yoc6jdo', 'yoc6jdo'] ![0.8200580111261373, 2.649702531863828, 2.714214371580243] 25.4
+! c6h5o2 : 1 4/4 yoc6jdo : 0 4/3 rodc6jdo : 1 4/6 c6jyoo : 0 4/2
+!CHECK p-oc6h5oj = ['c6jyoo', 'c6h5o2', 'rodc6jdo'] ![4.458683652408145, 2.649702531863828, 2.714214371580243] 70.7
+! c6h5o2 : 0 1/4 yoc6jdo : 0 1/3 rodc6jdo : 1 1/6 c6jyoo : 0 1/2
+!CHECK o-oc6h5oj = ['rodc6jdo', 'rodc6jdo', 'c6h5o2'] ![0.24308929674356902, 2.649702531863828, 2.714214371580243] 18.6
+! c6h5o2 : 0 2/4 yoc6jdo : 0 2/3 rodc6jdo : 2 2/6 c6jyoo : 0 2/2
+!
+! c7 h7
+![c6h5ch2j, c6h4ch3]
+!
+c6h5ch2 = c6h5ch2j !diff<0.1
+c6h4ch3 = c6h4ch3 !diff<0.1
+!
+! c7 h8
+![c6h5ch3, cpdcxc]
+!
+c6h5ch3 = c6h5ch3 !diff<0.1
+!
+! c7 o1 h5
+![c6h5cjo]
+!
+c6h5co = c6h5cjo
+!
+! c7 o1 h6
+![c6h5cho, oc6h4ch2]
+!
+c6h5cho = c6h5cho !diff<0.1
+!
+! c7 o1 h7
+![c6h5ch2oj, c6h5choh, oc6h4ch3, hoc6h4ch2]
+!
+c6h5ch2o = c6h5ch2oj !WATCHOUT [0.0, 0.01644719487726268, 0.02004073912854906]
+!CHECK oc6h4ch3 = ['hoc6h4ch2', 'oc6h4ch3', 'hoc6h4ch2'] ![0.00857876614486959, 0.01644719487726268, 0.02004073912854906] 2.5
+! c6h5ch2oj : 8 23/21 hoc6h4ch2 : 11 23/19 oc6h4ch3 : 17 23/19 c6h5choh : 5 23/9
+!CHECK hoc6h4ch2 = ['oc6h4ch3', 'hoc6h4ch2', 'oc6h4ch3'] ![0.017007690230880675, 0.01644719487726268, 0.02004073912854906] 5.2
+! c6h5ch2oj : 6 24/21 hoc6h4ch2 : 18 24/19 oc6h4ch3 : 12 24/19 c6h5choh : 5 24/9
+!CHECK c6h5choh = ['c6h5choh', 'c6h5choh', 'c6h5choh'] ![0.006226914907127187, 0.01644719487726268, 0.02004073912854906] 1.3
+! c6h5ch2oj : 4 19/21 hoc6h4ch2 : 15 19/19 oc6h4ch3 : 9 19/19 c6h5choh : 5 19/9
+!
+! c7 o1 h8
+![c6h5ch2oh, hoc6h4ch3]
+!
+c6h5ch2oh = c6h5ch2oh !diff<0.1
+hoc6h4ch3 = hoc6h4ch3 !diff<0.1
+!
+! c7 o2 h5
+![hoc6h4co]
+!
+hoc6h4co = hoc6h4co
+!
+! c7 o2 h6
+![hoc6h4cho]
+!
+hoc6h4cho = hoc6h4cho
+!
+! c7 o2 h7
+![c6h5ch2ooj, hoc6h4ch2o, o2c6h4ch3, rodc6j(c)do]
+!
+c6h5ch2oo = c6h5ch2ooj !WATCHOUT [0.0, 0.008313480129297585, 0.008313480129297585]
+!CHECK hoc6h4ch2o = ['hoc6h4ch2o', 'hoc6h4ch2o', 'o2c6h4ch3'] ![0.008313480129297585, 0.008313480129297585, 0.008313480129297585] 3.9
+! rodc6j(c)do : 0 4/3 o2c6h4ch3 : 0 4/4 hoc6h4ch2o : 1 4/4 c6h5ch2ooj : 0 4/13
+!
+! c7 o2 h8
+![c6h5ch2ooh]
+!
+bzcooh = c6h5ch2ooh
+!
+! c7 o3 h7
+![hoc6h4ch2oo]
+!
+hoc6h4ch2oo = hoc6h4ch2oo
+!
+! c7 o3 h8
+![hoc6h4ch2ooh]
+!
+hoc6h4ch2ooh = hoc6h4ch2ooh
+!
+! c8 h6
+![c6h5c2h]
+!
+c6h5c2h = c6h5c2h
+!
+! c8 h7
+![c6h5c2h2]
+!
+c6h5cch2 = None !Should be ok 0.0
+c6h5chch = c6h5c2h2 !Should be ok but look : ['c6h5c2h2', 'c6h5c2h2', None] [0.14349169837704057, 0.14349169837704057, 0.20016336646891172] 18.1
+c6h4c2h3 = None !Should be ok but look : [None, None, 'c6h5c2h2'] [0, 0.14349169837704057, 0.20016336646891172] 0.0
+!
+! c8 h8
+![styr]
+!
+c6h5c2h3 = styr
+!
+! c8 h9
+![c6h5c2h4p, c6h5c2h4s]
+!
+c6h5chch3 = c6h5c2h4s !Should be ok but look : ['c6h5c2h4s', 'c6h5c2h4s', 'c6h5c2h4p'] [0.03204077287196217, 0.037410351063252745, 0.25264572377460504] 2.8
+c6h5ch2ch2 = c6h5c2h4p !Should be ok but look : ['c6h5c2h4p', 'c6h5c2h4p', 'c6h5c2h4s'] [0.019311220583980403, 0.037410351063252745, 0.25264572377460504] 1.4
+!
+! c8 h10
+![xylene, c6h5c2h5]
+!
+c6h5c2h5 = c6h5c2h5 !Should be ok but look : ['c6h5c2h5', 'c6h5c2h5', 'xylene'] [0.008799349049563502, 0.008799349049563502, 0.011674049016210797] 1.4
+!
+! c9 h8
+![ind]
+!
+ind = ind
+!
+! c9 h10
+![cr3, cr4]
+!
+!CHECK c6h5c3h5-1 = ['cr4', 'cr4', 'cr4'] ![0.030277476674755683, 0.03029855612257331, 0.03468522559583845] 2.1
+! cr4 : 1 29/2 cr3 : 0 29/4
+!CHECK c6h5c3h5-2 = [None, None, 'cr3'] ![0, 0.03029855612257331, 0.03468522559583845] 0.0
+! cr4 : 0 24/2 cr3 : 0 24/4
+!CHECK ch3c6h4c2h3 = ['cr3', 'cr3', None] ![0.0011300041249261577, 0.03029855612257331, 0.03468522559583845] 0.5
+! cr4 : 0 2/2 cr3 : 0 2/4
+!
+! c10 h8
+![naph]
+!
+naph = naph
+!
+! c10 h9
+![bicpdj, c10h9]
+!
+c10h9 = c10h9 !WATCHOUT [0.0, 0.3289338707478603, 2.135041955582979]
+a1c2h3ac = bicpdj !Should be ok but look : ['bicpdj', 'bicpdj', 'c10h9'] [0.3289338707478603, 0.3289338707478603, 2.135041955582979] 26.3
+!
+! c10 h10
+![bicpd, c10h10]
+!
+c10h10 = c10h10 !WATCHOUT [0.0, 0.2237645619421052, 1.3718200087274794]
+c6h5c4h5 = bicpd !Should be ok but look : ['bicpd', 'bicpd', 'c10h10'] [0.2237645619421052, 0.2237645619421052, 1.3718200087274794] 13.7
+!
+! c10 h12
+![dicypd, cr5]
+!
+!CHECK c6h5c4h7-3 = [None, None, 'cr5'] ![0, 0.8925943460261547, 0.8926301624310795] 0.0
+! dicypd : 0 20/1 cr5 : 0 20/2
+!CHECK c6h5c4h7-2 = ['cr5', 'cr5', None] ![0.006127173550030253, 0.8925943460261547, 0.8926301624310795] 1.1
+! dicypd : 0 20/1 cr5 : 0 20/2
+!CHECK c6h5c4h7-1 = ['dicypd', 'dicypd', 'dicypd'] ![0.8925733159254463, 0.8925943460261547, 0.8926301624310795] 34.5
+! dicypd : 0 29/1 cr5 : 0 29/2
+!
+! c14 h10
+![phena]
+!
+c14h10 = None !diff<0.1
+phnthrn = phena !diff<0.1
+!
+! c14 h11
+![phcchph]
+!
+c14h11 = phcchph
+!
+! c14 h12
+![stylben]
+!
+c14h12 = stylben
+!
+! c14 h13
+![c14h13]
+!
+c14h13 = c14h13
+!
+! c14 h14
+![c14h14]
+!
+c14h14 = c14h14
+!
+! c14 o2 h13
+![c14h13oo]
+!
+c14h13oo = None !Should be ok but look : [None, None, 'c14h13oo'] [0, 0.008762339225019006, 0.01335207957430194] 0.0
+c14h12ooh = c14h13oo !Should be ok but look : ['c14h13oo', 'c14h13oo', None] [0.008762339225019006, 0.008762339225019006, 0.01335207957430194] 2.2
diff --git a/TIRAMISU/add_and_write_mechanism.py b/TIRAMISU/add_and_write_mechanism.py
index a1e7adb8b3a097fab19ea064f3428a7fff2ae78a..67ad141f7594a3328292c59f96ef9552a5647d57 100644
--- a/TIRAMISU/add_and_write_mechanism.py
+++ b/TIRAMISU/add_and_write_mechanism.py
@@ -567,6 +567,8 @@ def merging(outp, md_core, md_to_translate, max_len_name, model_core, model_to_t
if 't' in order :
write_trans(out, model_core, model_to_translate_translated, md_core, md_to_translate, flag_extraction, to_add)
+ else :
+ write_trans(out, model_to_translate_translated, model_core, md_to_translate, md_core, flag_extraction, to_add)
def writing_modified_mechanism(outp, new_md_name, true_model, list_species=[], list_reactions=[], dict_translation={}, verbose=True) :