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3.76550971E-5 3 -4.73072089E-8 1.8658842E-11 1.2956976E3 6.57240864E0 4 ch3o2h a-7-05h 4o 2c 1 G 200.0 6000.0 1000.0 1 7.76538058E0 8.61499712E-3 -2.98006935E-6 4.68638071E-10-2.75339255E-14 2 -1.82979984E4 -1.43992663E1 2.90540897E0 1.74994735E-2 5.2824363E-6 3 -2.52827275E-8 1.34368212E-11 -1.68894632E4 1.13741987E1 4 ch3o2 h 3o 2c 1 G 300.0 5000.0 1000.0 1 4.80390863E0 9.95844638E-3 -3.85301026E-6 6.84740497E-10-4.58402955E-14 2 -7.4713546E2 1.452814E0 3.62497097E0 3.59397933E-3 2.26538097E-5 3 -2.95391947E-8 1.1197757E-11 7.9304041E1 9.96382194E0 4 ch4 g-8-99h 4c 1 G 200.0 6000.0 1000.0 1 1.65326226E0 1.00263099E-2 -3.31661238E-6 5.36483138E-10-3.14696758E-14 2 -1.00095936E4 9.90506283E0 5.14911468E0 -1.36622009E-2 4.91453921E-5 3 -4.84246767E-8 1.66603441E-11 -1.02465983E4 -4.63848842E0 4 ch3 iu0702h 3c 1 G 200.0 6000.0 1000.0 1 2.9781206E0 5.797852E-3 -1.97558E-6 3.072979E-10 -1.7917416E-14 2 1.6509513E4 4.7224799E0 3.6571797E0 2.1265979E-3 5.4583883E-6 3 -6.6181003E-9 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-7.14638353E-6 1.11413133E-9-6.48225696E-14 2 -4.0179334E4 -6.65920876E1 2.89005593E0 5.78243141E-2 -4.19768118E-5 3 1.6516189E-8-2.74657518E-12 -3.47429891E4 1.69868466E1 4 tc4h7oh-ooh -thermh 9o 3c 4 G 300.0 5000.0 1396.0 1 2.0025429E1 1.9367556E-2 -6.65191853E-6 1.03557843E-9-6.01963909E-14 2 -3.27873267E4 -7.22509723E1 2.66520382E0 6.24371701E-2 -4.85238683E-5 3 1.99268614E-8-3.36703183E-12 -2.69785493E4 2.01441607E1 4 tc4h7oh-ooh-o2 -thermh 9o 5c 4 G 300.0 5000.0 1392.0 1 2.3887089E1 2.05929331E-2 -7.13241616E-6 1.1166487E-9-6.51638814E-14 2 -5.27439116E4 -8.74853114E1 5.59539226E0 6.45723632E-2 -4.85134752E-5 3 1.92480678E-8-3.16805202E-12 -4.64612818E4 1.04019607E1 4 tc3h6oh -thermh 7o 1c 3 G 300.0 5000.0 1392.0 1 1.12222277E1 1.36444398E-2 -4.51406709E-6 7.10523275E-10-4.22690392E-14 2 -1.75350136E4 -3.18911926E1 1.0967036E0 3.80727565E-2 -2.75022497E-5 3 1.07477493E-8-1.74895773E-12 -1.40764487E4 2.22475799E1 4 c3ket12 -thermh 6o 3c 3 G 300.0 5000.0 1388.0 1 1.70756225E1 1.31013491E-2 -4.61949408E-6 7.31991329E-10-4.30788679E-14 2 -4.17008637E4 -5.95778952E1 1.10507238E0 5.27396706E-2 -4.31805774E-5 3 1.81618292E-8-3.10535568E-12 -3.63627536E4 2.54111636E1 4 ic4h9o a08-04h 9o 1c 4 G 200.0 6000.0 1000.0 1 1.16309708E1 2.47981574E-2 -9.01550536E-6 1.4671472E-9-8.83214518E-14 2 -1.37854612E4 -3.81956151E1 3.80297372E0 1.56874209E-2 6.81105412E-5 3 -9.83346774E-8 3.95261902E-11 -1.00832243E4 9.78963305E0 4 c3h6oh-2 -thermh 7o 1c 3 G 300.0 5000.0 1530.0 1 1.0861225E1 1.4994444E-2 -4.99956622E-6 7.63352693E-10-4.37872385E-14 2 -1.17006131E4 -2.85286286E1 1.38218609E0 3.22641651E-2 -1.39820294E-5 3 9.59442093E-10 5.73234299E-13 -7.99050293E3 2.39928393E1 4 ar 120186ar 1 G 300.0 5000.0 1000.0 1 2.5E0 0.0E0 0.0E0 0.0E0 0.0E0 2 -7.45375E2 4.366001E0 2.5E0 0.0E0 0.0E0 3 0.0E0 0.0E0 -7.45375E2 4.366001E0 4 ehn 4/22/ 5 thermc 8h 17o 3n 1g 300.000 5000.000 1397.000 91 3.36963137e+01 3.93275630e-02-1.34805261e-05 2.09599948e-09-1.21733104e-13 2 -5.16396744e+04-1.42634785e+02-2.37780067e+00 1.28425885e-01-9.92629118e-05 3 4.02620702e-08-6.69555938e-12-3.95735466e+04 4.94276676e+01 4 hono 31787h 1n 1o 2 g 0300.00 5000.00 1000.00 1 0.05486893e+02 0.04218065e-01-0.01649143e-04 0.02971877e-08-0.02021148e-12 2 -0.01126865e+06-0.02997002e+02 0.02290413e+02 0.01409922e+00-0.01367872e-03 3 0.07498780e-07-0.01876905e-10-0.01043195e+06 0.01328077e+03 4 hno2 103190h 1n 1o 2 g 0300.00 4000.00 1500.00 1 0.06479630e+02 0.01995274e-01-0.01740387e-05-0.09695872e-09 0.01701480e-12 2 -0.09999271e+05-0.01067286e+03 0.01934838e+02 0.01010036e+00-0.04964616e-04 3 0.08701120e-08-0.02324135e-13-0.08105484e+05 0.01473250e+03 4 hono2 103190h 1n 1o 3 g 0300.00 4000.00 1500.00 1 0.09756148e+02 0.01900948e-01-0.03240020e-05-0.03976639e-09 0.01100334e-12 2 -0.01942244e+06-0.02690023e+03 0.07877668e+01 0.02382329e+00-0.02205964e-03 3 0.01034048e-06-0.01972857e-10-0.01630442e+06 0.02108964e+03 4 ch3ono2 103190c 1h 3n 1o 3g 0300.00 4000.00 1500.00 1 0.01436189e+03 0.04112243e-01-0.05113052e-05-0.01496436e-08 0.03012156e-12 2 -0.01972440e+06-0.05131842e+03 0.07803354e+01 0.03454204e+00-0.02822328e-03 3 0.01232324e-06-0.02302164e-10-0.01465346e+06 0.02245752e+03 4 ch3ono 103190c 1h 3n 1o 2g 0300.00 4000.00 1500.00 1 0.01136129e+03 0.04159349e-01-0.04145670e-05-0.01695140e-08 0.03028732e-12 2 -0.01281482e+06-0.03545435e+03 0.01490345e+02 0.02645433e+00-0.02112332e-03 3 0.09414399e-07-0.01811205e-10-0.09125782e+05 0.01813766e+03 4 eho 4/22/ 5 thermc 8h 17o 1 0g 300.000 5000.000 1390.000 81 2.74811848e+01 3.75744020e-02-1.29161783e-05 2.01202962e-09-1.17007752e-13 2 -3.20795559e+04-1.15053437e+02-1.32517927e+00 1.02067227e-01-6.78362870e-05 3 2.32912073e-08-3.29828280e-12-2.17345686e+04 4.07501425e+01 4 ehoh 7/01/13 thermc 8h 18o 1 g 0300.00 5000.00 1000.00 1 1.74707124E+01 5.88174746E-02-2.79261557E-05 6.58328467E-09-6.13892642E-13 2 -5.32012241E+04-5.97521822E+01 2.14993120E+00 7.69172297E-02 3.56223718E-06 3 -5.51766041E-08 2.68761830E-11-4.74841423E+04 2.59501842E+01 4 ehoo 7/01/13 thermc 8h 17o 2 g 0300.00 5000.00 1000.00 1 1.83922194E+01 5.88174746E-02-2.79261557E-05 6.58328467E-09-6.13892642E-13 2 -2.70520897E+04-6.09563142E+01 2.76180177E+00 8.30506967E-02-1.15552613E-05 3 -4.32289934E-08 2.42219142E-11-2.15089805E+04 2.49912574E+01 4 eho2 7/01/13 thermc 8h 15o 2 g 300.000 5000.000 1000.000 1 1.47615826E+01 5.88174746E-02-2.79261557E-05 6.58328467E-09-6.13892642E-13 2 -4.99565388E+04-4.43032310E+01 1.42375348E+00 8.07548171E-02-1.02805938E-05 3 -4.42995941E-08 2.40222588E-11-4.56753962E+04 2.78730268E+01 4 ecooh 7/03/13 thermc 8h 16o 2 0g 300.000 5000.000 1000.000 1 1.66448810E+01 5.88174746E-02-2.79261557E-05 6.58328467E-09-6.13892642E-13 2 -7.69869883E+04-5.61840121E+01 6.90677043E-01 8.72825202E-02-1.80494517E-05 3 -3.88836903E-08 2.24638863E-11-7.18060091E+04 3.00065405E+01 4 echo 7/01/13 thermc 8h 16o 1 0g 300.000 5000.000 1000.000 1 1.41472446E+01 5.88174746E-02-2.79261557E-05 6.58328467E-09-6.13892642E-13 2 -4.38188239E+04-4.13698524E+01 3.21691544E+00 6.47846265E-02 2.14400603E-05 3 -7.04791917E-08 3.20438132E-11-3.95930170E+04 2.10069923E+01 4 ehooh 7/01/13 thermc 8h 18o 2 0g 300.000 5000.000 1000.00 1 2.08948914E+01 5.88174746E-02-2.79261557E-05 6.58328467E-09-6.13892642E-13 2 -4.63043328E+04-7.60984100E+01 2.79765494E+00 8.44485038E-02-8.08374803E-07 3 -5.97498619E-08 3.10649716E-11-3.98139396E+04 2.39142838E+01 4 hno h 1o 1n 1 g 300.0 5000.0 1364.0 1 4.0210407e0 2.53315889e-3 -8.74528443e-7 1.36586699e-10-7.95635346e-15 2 1.04692469e4 2.52220203e0 3.47906296e0 2.30702523e-3 9.45658257e-7 3 -1.34347932e-9 3.44493795e-13 1.08271384e4 5.99651372e0 4 cn -hbh92c 1n 1 g 200.0 6000.0 1000.0 1 3.7459805e0 4.3450775e-5 2.9705984e-7 -6.8651806e-11 4.4134173e-15 2 5.1536188e4 2.7867601e0 3.6129351e0 -9.5551327e-4 2.1442977e-6 3 -3.1516323e-10 -4.6430356e-13 5.170834e4 3.9804995e0 4 hcn gri-98h 1c 1n 1 g 200.0 6000.0 1000.0 1 3.8022392e0 3.1464228e-3 -1.0632185e-6 1.6619757e-10 -9.799757e-15 2 1.4407292e4 1.5754601e0 2.2589886e0 1.005117e-2 -1.3351763e-5 3 1.0092349e-8 -3.0089028e-12 1.4712633e4 8.9164419e0 4 hcnn sri-94h 1c 1n 2 g 300.0 5000.0 1000.0 1 5.8946362e0 3.9895959e-3 -1.598238e-6 2.9249395e-10 -2.0094686e-14 2 5.3452941e4 -5.1030502e0 2.5243194e0 1.5960619e-2 -1.8816354e-5 3 1.212554e-8 -3.2357378e-12 5.4261984e4 1.167587e1 4 hcno bdea94h 1o 1c 1n 1g 300.0 5000.0 1382.0 1 6.59860456e0 3.02778626e-3 -1.07704346e-6 1.71666528e-10-1.01439391e-14 2 1.79661339e4 -1.03306599e1 2.64727989e0 1.27505342e-2 -1.04794236e-5 3 4.41432836e-9-7.57521466e-13 1.92990252e4 1.07332972e1 4 hocn bdea94h 1o 1c 1n 1g 300.0 5000.0 1368.0 1 5.89784885e0 3.16789393e-3 -1.11801064e-6 1.77243144e-10-1.04339177e-14 2 -3.70653331e3 -6.18167825e0 3.78604952e0 6.88667922e-3 -3.21487864e-6 3 5.17195767e-10 1.19360788e-14 -2.826984e3 5.63292162e0 4 hnco bdea94h 1o 1c 1n 1g 300.0 5000.0 1478.0 1 6.22395134e0 3.17864004e-3 -1.09378755e-6 1.70735163e-10-9.95021955e-15 2 -1.66599344e4 -8.38224741e0 3.63096317e0 7.30282357e-3 -2.28050003e-6 3 -6.61271298e-10 3.62235752e-13 -1.55873636e4 6.19457727e0 4 c2h -81193h 1c 2 g 300.0 4000.0 1000.0 1 3.986367e0 3.143123e-3 -1.267243e-6 2.924363e-10 -2.71632e-14 2 6.655884e4 1.191063e0 2.737704e0 8.048446e-3 -9.24431e-6 3 6.525259e-9 -1.93958e-12 6.683813e4 7.30022e0 4 c3h2 102193h 2c 3 g 150.0 4000.0 1000.0 1 7.670981e0 2.748749e-3 -4.370943e-7 -6.455599e-11 1.663887e-14 2 6.259722e4 -1.23689e1 3.166714e0 2.482572e-2 -4.591637e-5 3 4.268019e-8 -1.482152e-11 6.350421e4 8.869446e0 4 c4h2 h 2c 4 0 0g 200.00 6000.00 1000.00 0 1 8.66700350e+00 6.71663710e-03-2.35449950e-06 3.73830790e-10-2.21189140e-14 2 4.98569330e+04-2.11142050e+01-3.95185080e-01 5.19558130e-02-9.17866160e-05 3 8.05239290e-08-2.69170880e-11 5.14517090e+04 2.09691010e+01 4 c4h3 h 3c 4 0 0g 298.15 6000.00 1000.00 0 1 8.47620790e+00 8.87823270e-03-3.03284120e-06 4.73583020e-10-2.77166270e-14 2 5.47565400e+04-1.71705510e+01 2.41732470e+00 2.41047820e-02-1.28134700e-05 3 -2.86062370e-09 3.91945270e-12 5.65064760e+04 1.44711070e+01 4 c4h4 1-butene-3 t06/04c 4h 4 0 0g 200.000 6000.000 1000. 1 7.98456038e+00 1.20558816e-02-4.23587475e-06 6.73646140e-10-3.99059864e-14 2 3.11993029e+04-1.67958975e+01 1.37368786e+00 2.88801256e-02-1.46863874e-05 3 -3.91045446e-09 4.78133572e-12 3.30633344e+04 1.75941274e+01 4 ic4h5 2-buyn-1yl t10/06c 4h 5 0 0g 200.000 6000.000 1000. 1 7.62618778e+00 1.47321922e-02-5.22511622e-06 8.36085367e-10-4.97358383e-14 2 3.33816425e+04-1.26664026e+01 4.41575788e+00 1.36823548e-02 1.76533170e-05 3 -3.06168262e-08 1.27850098e-11 3.47871254e+04 6.39669972e+00 4 c5h5 cy t12/89c 5h 5 0 0g 200.000 6000.000 1000. 1 0.10844072e+02 0.15392831e-01-0.55630422e-05 0.90189440e-09-0.54156619e-13 2 0.26950886e+05-0.35254983e+02-0.95902849e+00 0.31396777e-01 0.26724050e-04 3 -0.68942183e-07 0.33301983e-10 0.30779441e+05 0.29072780e+02 4 c6h5o phenoxy t05/02c 6.h 5.o 1. 0.g 200.000 6000.000 1000. 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 A1 benzene g 6/01c 6h 6 0 0g 200.000 6000.000 1000. 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 A1- phenyl rad t04/02c 6h 5 0 0g 200.000 6000.000 1000. 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 A2 naphthalene t 7/98c 10h 8 0 0g 200.000 6000.000 1 1.86129884e+01 3.04494175e-02-1.11224825e-05 1.81615474e-09-1.09601281e-13 2 8.91578988e+03-8.00230396e+01-1.04919475e+00 4.62970781e-02 7.07591636e-05 3 -1.38408111e-07 6.20475407e-11 1.59848987e+04 3.02121626e+01 4 A2- naphtyl rad t 7/98c 10h 7 0 0g 200.000 6000.000 1 1.83535073e+01 2.77474314e-02-1.00885968e-05 1.64229575e-09-9.89002001e-14 2 3.89261241e+04-7.48978150e+01-1.89559772e+00 5.83077290e-02 2.79388931e-05 3 -9.14375172e-08 4.46422302e-11 4.55409775e+04 3.52453263e+01 4 A1c2h- c6h4cch h6w/94c 8h 5 0 0g 300.000 3000.000 1 1.23595010e+01 2.54533570e-02-1.06065540e-05 1.89146030e-09-1.06306220e-13 2 6.09304610e+04-4.09002080e+01-4.44958590e+00 7.69950670e-02-6.66170380e-05 3 2.50386820e-08-1.97566010e-12 6.52259260e+04 4.44279480e+01 4 A1c2h c6h5cch t12/06c 8.h 6. 0. 0.g 200.000 6000.000 1000. 1 1.63582907e+01 2.11974105e-02-7.65817215e-06 1.24134505e-09-7.45327960e-14 2 3.10375340e+04-6.22520227e+01-2.74707918e+00 7.78284438e-02-6.69709932e-05 3 2.37972496e-08-8.43279765e-13 3.61131008e+04 3.54221257e+01 4 A1c2h3 t12/94c 8h 8 0 0g 298.150 5000.000 1 0.16139277e+02 0.24210847e-01-0.72678359e-05 0.11392276e-08-0.72984881e-13 2 0.10249251e+05-0.61169437e+02-0.10717708e+02 0.12666725e+00-0.17762493e-03 3 0.14344049e-06-0.47616577e-10 0.16597133e+05 0.71526331e+02 4 A2r5 acenaphth t12/00c 12h 8 0 0g 300.000 5000.000 1 1.93183637e+01 3.90205238e-02-1.63352587e-05 3.10041991e-09-2.19199281e-13 2 2.15445149e+04-8.32372261e+01-2.81264181e+00 7.04681002e-02 3.15341955e-05 3 -1.05176189e-07 5.08713845e-11 2.88462829e+04 3.75755975e+01 4 A3 phenanthre t 1/94c 14h 10 0 0g 200.000 6000.000 1 0.26602474e+02 0.39769744e-01-0.14572026e-04 0.23843296e-08-0.14409548e-12 2 0.12132838e+05-0.12266672e+03-0.33646717e+01 0.85073271e-01 0.37531110e-04 3 -0.12664499e-06 0.61445705e-10 0.22019878e+05 0.40596218e+02 4 A3- 4-phenantr t11/07c 14h 9 0 0g 298.150 5000.000 1 2.68173412e+01 3.76935761e-02-1.45586251e-05 2.58486800e-09-1.73198001e-13 2 4.14405846e+04-1.21547559e+02-1.08929968e+01 1.41537035e-01-1.14205532e-04 3 3.57710437e-08 0.00000000e+00 5.21136455e+04 7.37137024e+01 4 A4 pyrene t10/96c 16h 10 0 0g 200.000 6000.000 1 0.29910014e+02 0.42668069e-01-0.15733834e-04 0.25851725e-08-0.15667980e-12 2 0.12786491e+05-0.14186953e+03-0.40420321e+01 0.91549657e-01 0.51443344e-04 3 -0.15276576e-06 0.73087530e-10 0.24094241e+05 0.43665312e+02 4 c(s) P 4/83c 1 0 0 0c 200.000 5000.000 1000.00 1 0.14556924E+01 0.17170638E-02-0.69758410E-06 0.13528316E-09-0.96764905E-14 2 -0.69512804E+03-0.85256842E+01-0.31087207E+00 0.44035369E-02 0.19039412E-05 3 -0.63854697E-08 0.29896425E-11-0.10865079E+03 0.11138295E+01 4 c7h8 -thermh 8c 7 G 300.0 5000.0 1389.0 1 1.63091542E1 2.25331612E-2 -7.84281827E-6 1.2320063E-9-7.20675043E-14 2 -2.75804095E3 -6.66759774E1 -4.08982289E0 6.86477374E-2 -4.74716566E-5 3 1.67001205E-8-2.39578007E-12 4.49937542E3 4.34582591E1 4 c6h5ch2 t08-90h 7c 7 G 200.0 6000.0 1000.0 1 1.404398E1 2.3493873E-2 -8.5375367E-6 1.3890841E-9 -8.361442E-14 2 1.8564203E4 -5.1665589E1 4.811154E-1 3.8512832E-2 3.2861492E-5 3 -7.6972721E-8 3.5423068E-11 2.3307027E4 2.354882E1 4 oc6h4ch3 h 7o 1c 7 G 300.0 5000.0 1000.0 1 6.326234E0 3.709207E-2 -1.373696E-5 2.328471E-9 -1.497018E-13 2 -1.566359E3 -4.686211E0 -4.039644E0 7.399095E-2 -5.159453E-5 3 1.203728E-8 1.432102E-12 2.257076E2 4.531693E1 4 hoc6h4ch3 h 8o 1c 7 G 300.0 5000.0 1000.0 1 3.936916E0 4.579922E-2 -1.891784E-5 3.462438E-9 -2.349817E-13 2 -1.822499E4 7.471809E0 -3.838604E0 7.712997E-2 -5.335511E-5 3 1.294898E-8 1.097663E-12 -1.727392E4 4.357574E1 4 oc6h4o -thermh 4o 2c 6 G 300.0 5000.0 1390.0 1 1.89272866E1 1.34964071E-2 -4.819662E-6 7.70239742E-10-4.56003968E-14 2 -2.39344268E4 -7.98144011E1 -3.40668328E0 6.96410107E-2 -5.94147062E-5 3 2.51063875E-8-4.21953602E-12 -1.66350329E4 3.86278633E1 4 hoc6h4ch2 h 7o 1c 7 G 300.0 5000.0 1000.0 1 6.8997E0 3.766405E-2 -1.42499E-5 2.451396E-9 -1.592153E-13 2 -1.043781E3 -7.966927E0 -4.153049E0 7.769988E-2 -5.830287E-5 3 1.786779E-8 -5.362997E-13 8.966967E2 4.532889E1 4 hoc6h4ch2oo -----sh 7o 3c 7 G 300.0 5000.0 1000.0 1 1.017175E1 3.946803E-2 -1.471264E-5 2.505E-9 -1.61537E-13 2 -1.302109E4 -1.931762E1 -4.803417E0 9.423754E-2 -7.679177E-5 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h 7o 1c 6 G 300.0 5000.0 1000.0 1 5.049701E0 3.879186E-2 -1.532066E-5 2.717126E-9 -1.803373E-13 2 1.975984E4 7.772278E0 2.960315E-1 5.582377E-2 -3.633194E-5 3 1.322637E-8 -1.978583E-12 2.073365E4 3.102968E1 4 c6h4 h 4c 6 G 300.0 5000.0 1000.0 1 1.361435E1 1.502698E-2 -6.025615E-6 1.079862E-9 -7.218883E-14 2 3.731447E4 -4.930648E1 -3.252509E0 6.303757E-2 -4.888289E-5 3 1.144796E-8 1.252053E-12 4.160491E4 3.683657E1 4 !cjcxcc#c -thgenh 5c 5 G 300.0 5000.0 1000.0 1 ! 1.359879E1 1.052047E-2 -2.792745E-6 3.730806E-10 -2.034639E-14 2 ! 4.080266E4 -4.500557E1 2.016659E-1 4.721465E-2 -4.011665E-5 3 ! 1.758655E-8 -3.20822E-12 4.462821E4 2.456541E1 4 oc6h4ch2 012508h 6o 1c 7 G 300.0 5000.0 1000.0 1 1.24204756E1 2.7017183E-2 -1.09476851E-5 2.02705529E-9-1.40757462E-13 2 4.49159466E2 -4.1023626E1 -6.21979546E-1 5.14918065E-2 -6.11682462E-6 3 -2.88887155E-8 1.45119845E-11 4.44241036E3 2.88224802E1 4 phena t-1-94h 10c 14 G 200.0 6000.0 1000.0 1 2.5517187E1 3.9372794E-2 -1.2315508E-5 1.278528E-9 0.0E0 2 1.3122404E4 -1.1561842E2 -9.094741E0 1.313338E-1 -9.2401729E-5 3 2.4015671E-8 0.0E0 2.276495E4 6.397536E1 4 c6h4o2 t10/97c 6.h 4.o 2.n 0.g 200.000 6000.000 1000.00 1 1.43886174e+01 1.81624210e-02-6.69934678e-06 1.10097880e-09-6.67372266e-14 2 -2.12444054e+04-5.02572901e+01 3.79867882e+00 2.51676569e-02 3.79846917e-05 3 -7.06777516e-08 3.06126573e-11-1.72429606e+04 9.80455363e+00 4 c2h3co -thermh 3o 1c 3 G 300.0 5000.0 1402.0 1 9.37467676E0 7.912969E-3 -2.6719828E-6 4.1111543E-10-2.36978981E-14 2 1.92969514E3 -2.40892696E1 1.36242013E0 3.15273972E-2 -3.00218935E-5 3 1.48167112E-8 -2.8797153E-12 4.25770215E3 1.72626546E1 4 c10h22 4/24/ 7 thermc 10h 22 0 0g 300.000 5000.000 1391.000 91 3.19882239e+01 4.77244922e-02-1.62276391e-05 2.50963259e-09-1.45215772e-13 2 -4.66392840e+04-1.40504121e+02-2.08416969e+00 1.22535012e-01-7.76815739e-05 3 2.49834877e-08-3.23548038e-12-3.43021863e+04 4.42260140e+01 4 c10h21 4/24/ 7 thermc 10h 21 0 0g 300.000 5000.000 1385.000 91 3.14447580e+01 4.52778532e-02-1.53145696e-05 2.36072411e-09-1.36311835e-13 2 -2.29702700e+04-1.33634423e+02-9.30536886e-01 1.13137924e-01-6.64034118e-05 3 1.83220872e-08-1.77128003e-12-1.09890165e+04 4.29335080e+01 4 c10h21oo 6/26/ 7 thermc 10h 21o 2 0g 300.000 5000.000 1389.000 91 3.52386548e+01 4.75793514e-02-1.63731335e-05 2.55214038e-09-1.48474197e-13 2 -4.32282603e+04-1.50404303e+02 1.01431524e+00 1.24157438e-01-8.21448954e-05 3 2.85684148e-08-4.17000221e-12-3.08616979e+04 3.48377002e+01 4 c10h20ooh 6/26/ 7 thermc 10h 21o 2 0g 300.000 5000.000 1388.000 91 3.68332677e+01 4.53428413e-02-1.54184908e-05 2.38498991e-09-1.38036821e-13 2 -3.71990810e+04-1.56373019e+02 9.61894530e-01 1.24898703e-01-8.11308378e-05 3 2.63555947e-08-3.38606023e-12-2.43666092e+04 3.77015795e+01 4 ooc10h20ooh 7/6/7thermc 10h 21o 4 0g 300.000 5000.000 1388.000 91 4.26897857e+01 4.59447184e-02-1.59146224e-05 2.49205540e-09-1.45456593e-13 2 -5.85330678e+04-1.85554231e+02 2.65145491e+00 1.34665017e-01-8.94738939e-05 3 2.96279281e-08-3.90540332e-12-4.41599446e+04 3.11630265e+01 4 c10ket 6/28/ 7 c 10h 20o 3 0g 300.000 5000.000 1395.000 91 3.88320323e+01 4.46264561e-02-1.53792779e-05 2.39980861e-09-1.39724887e-13 2 -7.36287238e+04-1.67457676e+02-2.34342212e-01 1.38766838e-01-1.04003274e-04 3 4.11720893e-08-6.75354155e-12-6.02546784e+04 4.14912366e+01 4 c10h20 4/25/ 7 thermc 10h 20 0 0g 300.000 5000.000 1392.000 81 3.04028428e+01 4.44259204e-02-1.50962922e-05 2.33376420e-09-1.35006428e-13 2 -3.20390650e+04-1.30100915e+02-1.90493591e+00 1.15828091e-01-7.43158977e-05 3 2.42878955e-08-3.21121574e-12-2.03918845e+04 4.48898726e+01 4 c12h26 4/24/ 7 thermc 12h 26 0 0g 300.000 5000.000 1391.000 91 3.85095037e+01 5.63550048e-02-1.91493200e-05 2.96024862e-09-1.71244150e-13 2 -5.48843465e+04-1.72670922e+02-2.62181594e+00 1.47237711e-01-9.43970271e-05 3 3.07441268e-08-4.03602230e-12-4.00654253e+04 5.00994626e+01 4 c12h25 4/24/ 7 thermc 12h 25 0 0g 300.000 5000.000 1385.000 91 3.79688268e+01 5.38719464e-02-1.82171263e-05 2.80774503e-09-1.62108420e-13 2 -3.12144988e+04-1.65805933e+02-1.36787089e+00 1.37355348e-01-8.24076158e-05 3 2.36421562e-08-2.47435932e-12-1.67660539e+04 4.83521895e+01 4 c12h24 4/25/ 7 thermc 12h 24 0 0g 300.000 5000.000 1390.000 91 3.69268580e+01 5.30530069e-02-1.80166589e-05 2.78416965e-09-1.61022576e-13 2 -4.02855604e+04-1.62283757e+02-2.43874931e+00 1.40512846e-01-9.10032977e-05 3 3.00308587e-08-4.00790141e-12-2.61556835e+04 5.07457348e+01 4 c12h25oo 6/25/ 7 thermc 12h 25o 2 0g 300.000 5000.000 1389.000 91 4.27762208e+01 5.47963951e-02-1.86935922e-05 2.89771159e-09-1.67952970e-13 2 -4.35800982e+04-1.84040679e+02 1.42078475e+00 1.44039473e-01-8.95663728e-05 3 2.73266131e-08-3.21225523e-12-2.85025839e+04 4.06420206e+01 4 c12h24ooh 6/25/ 7 thermc 12h 25o 2 0g 300.000 5000.000 1391.000 91 4.31478861e+01 5.43644418e-02-1.85191146e-05 2.86784232e-09-1.66107732e-13 2 -4.53858698e+04-1.87427283e+02 5.43431244e-01 1.49159735e-01-9.74342364e-05 3 3.20766697e-08-4.22022503e-12-3.01492983e+04 4.30097560e+01 4 ooc12h24ooh 7/7/7 c 12h 25o 4 0g 300.000 5000.000 1390.000 91 4.92017070e+01 5.48623886e-02-1.89948816e-05 2.97345006e-09-1.73515587e-13 2 -6.68466843e+04-2.17849024e+02 2.33638768e+00 1.58069852e-01-1.03826438e-04 3 3.38978232e-08-4.39024721e-12-4.99499388e+04 3.60627903e+01 4 c12ket 6/28/ 7 c 12h 24o 3 0g 300.000 5000.000 1392.000 91 4.51724544e+01 5.36021693e-02-1.84597261e-05 2.87913146e-09-1.67577091e-13 2 -8.18255263e+04-1.98654589e+02-5.94224850e-01 1.62753923e-01-1.19880749e-04 3 4.66159552e-08-7.52440889e-12-6.60459023e+04 4.65307146e+01 4 c16h34 4/24/ 7 thermc 16h 34 0 0g 300.000 5000.000 1391.000 91 5.15593854e+01 7.36064257e-02-2.49888737e-05 3.86085377e-09-2.23263662e-13 2 -7.13781425e+04-2.37047216e+02-3.69111950e+00 1.96612966e-01-1.27777824e-04 3 4.22323349e-08-5.62967041e-12-5.15927302e+04 6.18192742e+01 4 c16h33 4/24/ 7 thermc 16h 33 0 0g 300.000 5000.000 1387.000 91 5.10324990e+01 7.11045684e-02-2.40491592e-05 3.70710805e-09-2.14054039e-13 2 -4.77151440e+04-2.30262399e+02-2.43005348e+00 1.86692969e-01-1.15724867e-04 3 3.50879669e-08-4.05848895e-12-2.82942913e+04 6.00401807e+01 4 c16h32 4/24/ 7 thermc 16h 32 0 0g 300.000 5000.000 1390.000 91 4.99798163e+01 7.03007686e-02-2.38548651e-05 3.68456649e-09-2.13030365e-13 2 -5.67810321e+04-2.27085854e+02-3.50291615e+00 1.89864690e-01-1.24348369e-04 3 4.14970522e-08-5.59683321e-12-3.76837537e+04 6.20342069e+01 4 c16h33oo 6/22/ 7 thermc 16h 33o 2 0g 300.000 5000.000 1837.000 91 4.63544177e+01 8.47730872e-02-3.01776204e-05 4.82758920e-09-2.86338769e-13 2 -6.32849407e+04-1.97288970e+02 7.32903405e-02 1.95033065e-01-1.27443651e-04 3 4.30197911e-08-5.97598745e-12-4.82455887e+04 4.94018823e+01 4 c16h32ooh 6/22/ 7 thermc 16h 33o 2 0g 300.000 5000.000 1391.000 91 5.57941494e+01 7.23847175e-02-2.47112846e-05 3.83206101e-09-2.22161803e-13 2 -6.17676929e+04-2.49634118e+02-2.64088662e-01 1.97547269e-01-1.29832097e-04 3 4.33858762e-08-5.85906329e-12-4.17190618e+04 5.34905015e+01 4 ooc16h32ooh 7/6/7thermc 16h 33o 4 0g 300.000 5000.000 1391.000 91 6.15503746e+01 7.30942249e-02-2.52511288e-05 3.94675653e-09-2.30062121e-13 2 -8.30825602e+04-2.78271525e+02 1.81871967e+00 2.05371033e-01-1.35392866e-04 3 4.50526485e-08-6.04952315e-12-6.15648675e+04 4.51804226e+01 4 c16ket 6/28/ 7 thermc 16h 32o 3 0g 300.000 5000.000 1391.000 91 5.71072067e+01 7.20128931e-02-2.47403980e-05 3.85243990e-09-2.23971817e-13 2 -9.50285833e+04-2.55552368e+02 1.35767296e+00 1.98779084e-01-1.35214232e-04 3 4.79965396e-08-7.07252121e-12-7.51926615e+04 4.53018912e+01 4 c5h11co 2/29/96 c 6h 11o 1 g 300.000 5000.000 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 jc8h16 7/27/95 thermc 8h 16 0 0g 300.000 5000.000 1397.00 61 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 chx 3/17/ 6 thermc 6h 12 0 0g 300.000 5000.000 1373.000 11 1.90854159e+01 2.83866516e-02-9.99547753e-06 1.58256182e-09-9.30877430e-14 2 -2.60772690e+04-8.98220578e+01-7.82903355e+00 8.09375102e-02-4.39655186e-05 3 8.71887784e-09-4.86950162e-16-1.57787533e+04 5.82556261e+01 4 chxrad 3/23/ 6 c 6h 11 0 0g 300.000 5000.000 1674.000 11 1.46798830e+01 3.09324453e-02-1.12934485e-05 1.83887582e-09-1.10464203e-13 2 -1.97524175e+02-5.97110239e+01-7.57310296e+00 7.66896480e-02-4.24441426e-05 3 9.41423236e-09-4.39999709e-13 7.64576045e+03 6.13226976e+01 4 chxro2 4/25/ 6 thermc 6h 11o 2 0g 300.000 5000.000 1379.000 21 2.23723502e+01 2.76799389e-02-9.74217376e-06 1.54194767e-09-9.06767646e-14 2 -2.25043028e+04-9.84390954e+01-4.91663898e+00 8.36156703e-02-4.98338842e-05 3 1.27483629e-08-9.18573704e-13-1.23181790e+04 5.07734668e+01 4 chxro 5/ 8/ 6 thermc 6h 11o 1 0g 300.000 5000.000 1380.000 11 2.12622471e+01 2.66264713e-02-9.40815368e-06 1.49296929e-09-8.79559265e-14 2 -2.06977481e+04-9.63174430e+01-7.49191993e+00 8.71338295e-02-5.48085318e-05 3 1.54140807e-08-1.43112240e-12-1.01378610e+04 6.03232358e+01 4 ochxrro 5/17/ 6 thermc 6h 9o 2 0g 300.000 5000.000 1377.000 11 2.22641163e+01 2.34545183e-02-8.36655993e-06 1.33604348e-09-7.90533956e-14 2 -3.36496451e+04-9.81436457e+01-7.07307698e+00 8.76893394e-02-6.01931229e-05 3 1.95395336e-08-2.40790080e-12-2.31010970e+04 6.08295710e+01 4 oc5h8cho 4/25/ 6 thermc 6h 9o 2 0g 300.000 5000.000 1373.000 51 2.06736889e+01 2.13689471e-02-7.26639871e-06 1.12489765e-09-6.51700881e-14 2 -3.04879613e+04-7.41982799e+01 4.69904741e+00 5.43702441e-02-3.20380655e-05 3 9.07065241e-09-9.66808223e-13-2.44679758e+04 1.31984339e+01 4 choco 4/24/ 6 thermc 2h 1o 2 0g 300.000 5000.000 1399.000 11 9.41097680e+00 2.85478756e-03-1.03981117e-06 1.68354991e-10-1.00574565e-14 2 -1.06556221e+04-2.20413200e+01 2.12687538e+00 2.12284274e-02-1.86092864e-05 3 7.71550323e-09-1.23665007e-12-8.32273313e+03 1.64962525e+01 4 chxdooh 5/ 2/ 6 thermc 6h 10o 2 0g 300.000 5000.000 1394.000 31 2.22604918e+01 2.43459576e-02-8.48682527e-06 1.33468541e-09-7.81399843e-14 2 -2.41127925e+04-9.45683359e+01-4.51101263e+00 8.81772584e-02-6.68071503e-05 3 2.56310780e-08-3.96967992e-12-1.49920203e+04 4.86749738e+01 4 chxdo 5/ 2/ 6 thermc 6h 9o 1 0g 300.000 5000.000 1390.000 11 1.98614061e+01 2.13541604e-02-7.29767436e-06 1.13391847e-09-6.58739166e-14 2 -4.24104162e+03-8.48415976e+01-7.09798187e+00 8.77373883e-02-7.00192618e-05 3 2.81332888e-08-4.52307929e-12 4.68010482e+03 5.85742784e+01 4 hooc5h8cho 4/25/ 6 thermc 6h 10o 3 0g 300.000 5000.000 1385.000 61 2.53154911e+01 2.22789939e-02-7.61789857e-06 1.18350890e-09-6.87297017e-14 2 -3.63188689e+04-9.82862570e+01 2.19537739e+00 7.71598879e-02-5.75947815e-05 3 2.19884778e-08-3.41053983e-12-2.84082064e+04 2.55251148e+01 4 cyc6h9 5/ 8/ 6 thermc 6h 9 0 0g 300.000 5000.000 1381.000 11 1.66727417e+01 2.27088190e-02-8.01509353e-06 1.27088484e-09-7.48275111e-14 2 8.04118658e+03-7.23578248e+01-6.31908086e+00 7.26795534e-02-4.84456826e-05 3 1.57628084e-08-2.02092558e-12 1.64143328e+04 5.24769640e+01 4 cyc6h8 5/ 8/ 6 thermc 6h 8 0 0g 300.000 5000.000 1391.000 11 1.57655741e+01 2.05288746e-02-7.17037109e-06 1.12907526e-09-6.61583621e-14 2 4.36755757e+03-6.44489304e+01-5.55178813e+00 7.08013167e-02-5.27967002e-05 3 2.01298107e-08-3.12958498e-12 1.17246447e+04 4.98740708e+01 4 c6h11 5/ 8/ 6 thermc 6h 11 0 0g 300.000 5000.000 1392.000 41 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 c4h6ooh 4/25/ 6 thermc 4h 7o 2 0g 300.000 5000.000 1394.000 41 1.71928685e+01 1.52139032e-02-5.27269512e-06 8.25992011e-10-4.82272796e-14 2 6.66931778e+03-5.91169830e+01 1.24854565e+00 5.39741555e-02-4.17288685e-05 3 1.65913638e-08-2.68339671e-12 1.20450295e+04 2.59607791e+01 4 c2h3cho 6/26/95 c 3h 4o 1 0g 300.000 5000.000 1393.00 11 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 c3h6cho 9/27/95 thermc 4h 7o 1 0g 300.000 5000.000 1379.000 31 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 cychexene 5/ 8/ 6 thermc 6h 10 0 0g 300.000 5000.000 1388.000 11 1.64684978e+01 2.50464584e-02-8.73323457e-06 1.37353265e-09-8.04138942e-14 2 -9.77653424e+03-6.96668679e+01-6.07599781e+00 7.51138370e-02-5.06516889e-05 3 1.71683701e-08-2.35089637e-12-1.66592755e+03 5.23699408e+01 4 c4h6 120186c 4h 6 g 0300.00 5000.00 1000.00 1 0.08046583e+02 0.01648525e+00-0.05522227e-04 0.08123593e-08-0.04295078e-12 2 0.01370130e+06-0.01800458e+03 0.03197108e+02 0.02025592e+00 0.06510192e-04 3 -0.01658442e-06 0.06400282e-10 0.01571520e+06 0.09895660e+02 4 tc4h7 4/ 2/97 thermc 4h 7 0 0g 300.000 5000.000 1392.000 21 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 c4h7o 6/26/95 c 4h 7o 1 0g 300.000 5000.000 1380.00 31 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 mch 4/22/ 4 thermc 7h 14 0 0g 300.000 5000.000 1391.000 11 2.14785343e+01 3.32215917e-02-1.14861934e-05 1.79638933e-09-1.04761864e-13 2 -3.04164647e+04-9.93118588e+01-8.09426478e+00 1.00736150e-01-7.00859796e-05 3 2.48687934e-08-3.59166681e-12-1.99875643e+04 6.00729224e+01 4 mchrad 4/22/ 4 c 7h 13 0 0g 300.000 5000.000 1386.000 11 2.07652473e+01 3.09626852e-02-1.06426808e-05 1.65847490e-09-9.64926483e-14 2 -6.65581961e+03-9.21194389e+01-6.88013903e+00 9.11808945e-02-5.87542615e-05 3 1.82388338e-08-2.13977403e-12 3.31407004e+03 5.77907942e+01 4 mch2o 12/24/ 4 thermc 7h 13o 1 0g 300.000 5000.000 1388.000 11 2.40972982e+01 3.15729489e-02-1.10494750e-05 1.74233614e-09-1.02197351e-13 2 -2.57494150e+04-1.11323706e+02-8.54954397e+00 1.03015643e-01-6.83825738e-05 3 2.15745270e-08-2.55205599e-12-1.40286013e+04 6.55571480e+01 4 mch2oo 8/12/ 4 thermc 7h 13o 2 0g 300.000 5000.000 1383.000 21 2.58827836e+01 3.24519738e-02-1.14135201e-05 1.80554171e-09-1.06137166e-13 2 -2.71371529e+04-1.16714756e+02-6.82417761e+00 1.03611740e-01-6.86743010e-05 3 2.19845246e-08-2.72032601e-12-1.52772798e+04 6.07675141e+01 4 mch2ooh 12/14/ 4 c 7h 14o 2 0g 300.000 5000.000 1387.000 31 2.77379566e+01 3.26940048e-02-1.14306049e-05 1.80139411e-09-1.05623235e-13 2 -4.55037626e+04-1.28142715e+02-7.07191742e+00 1.08831682e-01-7.21992050e-05 3 2.25237384e-08-2.58648384e-12-3.30350053e+04 6.04170296e+01 4 mch2qj 8/12/ 4 thermc 7h 13o 2 0g 300.000 5000.000 1374.000 31 2.64336476e+01 3.17732482e-02-1.12289803e-05 1.78208110e-09-1.04993054e-13 2 -2.22378378e+04-1.17294970e+02-4.40226660e+00 9.32663869e-02-5.32369471e-05 3 1.23486759e-08-5.98589764e-13-1.05245344e+04 5.19741278e+01 4 mchyo 12/25/ 4 thermc 7h 12o 1 0g 300.000 5000.000 1392.000 11 2.01786076e+01 3.25051214e-02-1.14075616e-05 1.80227157e-09-1.05858186e-13 2 -1.70074599e+04-9.16356522e+01-1.68849732e+01 1.13481019e-01-7.53831778e-05 3 2.30265938e-08-2.48654348e-12-3.78150449e+03 1.09064449e+02 4 chxch2 4/22/ 4 c 7h 13 0 0g 300.000 5000.000 1391.000 11 2.10554846e+01 3.10855723e-02-1.07608560e-05 1.68435040e-09-9.82855030e-14 2 -5.34829117e+03-9.41837140e+01-7.31316535e+00 9.61419602e-02-6.75543148e-05 3 2.42028067e-08-3.52878596e-12 4.62295954e+03 5.86016810e+01 4 chxch2oo 8/13/ 4 thermc 7h 13o 2 0g 300.000 5000.000 1380.000 21 2.53232713e+01 3.29216554e-02-1.15746940e-05 1.83064281e-09-1.07597395e-13 2 -2.48122781e+04-1.12679959e+02-6.50573719e+00 1.00113945e-01-6.30229660e-05 3 1.85263761e-08-1.98144719e-12-1.30609052e+04 6.07754548e+01 4 chxjch2q 8/13/ 4 thermc 7h 13o 2 0g 300.000 5000.000 1369.000 31 2.58068548e+01 3.22520163e-02-1.13822585e-05 1.80476979e-09-1.06264099e-13 2 -1.98472413e+04-1.12780630e+02-3.48683591e+00 8.74819153e-02-4.45363639e-05 3 7.11351411e-09 5.19864335e-13-8.40812430e+03 4.91418513e+01 4 chxdch2 8/15/ 4 thermc 7h 12 0 0g 300.000 5000.000 1383.000 01 2.09534670e+01 2.93618828e-02-1.02414336e-05 1.61157034e-09-9.43983146e-14 2 -1.57131372e+04-9.59645588e+01-8.78091682e+00 9.29268013e-02-5.91790181e-05 3 1.73250617e-08-1.77258628e-12-4.90305383e+03 6.56452164e+01 4 c6h12cho 8/16/ 4 thermc 7h 13o 1 0g 300.000 5000.000 1391.000 61 2.27736322e+01 2.97799120e-02-1.02472913e-05 1.59734929e-09-9.29348913e-14 2 -1.99075493e+04-8.90551937e+01 6.48832789e-02 7.99452184e-02-5.20101452e-05 3 1.72351067e-08-2.32414135e-12-1.16966938e+04 3.39878521e+01 4 c6h11cho 12/10/ 4 thermc 7h 12o 1 0g 300.000 5000.000 1394.000 51 2.20147557e+01 2.82930307e-02-9.73242527e-06 1.51676299e-09-8.82332698e-14 2 -2.89994214e+04-8.66819195e+01-9.90850563e-01 8.10710956e-02-5.60496534e-05 3 2.00835859e-08-2.96328518e-12-2.08882705e+04 3.72562746e+01 4 c6h11co 12/10/4 thermc 7h 11o 1 0g 300.000 5000.000 1394.000 51 2.15953636e+01 2.61684769e-02-9.01431540e-06 1.40619699e-09-8.18567494e-14 2 -1.00370776e+04-8.27604597e+01-2.01871848e-01 7.62046608e-02-5.29002993e-05 3 1.89615303e-08-2.79027577e-12-2.36218573e+03 3.46451760e+01 4 c3h6co 03/03/95 thermc 4h 6o 1 0g 300.000 5000.000 1397.00 41 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 c3h6coch3 2/22/96 thrmc 5h 9o 1 0g 300.000 5000.000 1381.000 41 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 mche 8/13/ 4 thermc 7h 12 0 0g 300.000 5000.000 1393.000 11 1.91685073e+01 3.00018994e-02-1.03544497e-05 1.61735977e-09-9.42360414e-14 2 -1.46801821e+04-8.39507606e+01-6.28055908e+00 8.76219441e-02-5.97803323e-05 3 2.07727438e-08-2.93202774e-12-5.65527452e+03 5.33820048e+01 4 mchje 9/ 5/ 4 ally c 7h 11 0 0g 300.000 5000.000 1388.000 11 1.92512420e+01 2.78635519e-02-9.72503389e-06 1.53054082e-09-8.96482359e-14 2 2.12652431e+03-8.59585836e+01-6.41504518e+00 8.48702528e-02-5.73598328e-05 3 1.93895519e-08-2.63410119e-12 1.13479217e+04 5.29552537e+01 4 mchde 9/ 5/ 4 thermc 7h 10 0 0g 300.000 5000.000 1396.000 11 1.86568260e+01 2.53556683e-02-8.75521413e-06 1.36810067e-09-7.97376753e-14 2 -5.64813760e+02-7.97390193e+01-6.79923802e+00 8.76244231e-02-6.78138163e-05 3 2.71543632e-08-4.43199555e-12 7.98560864e+03 5.59657522e+01 4 mchjde 9/ 5/ 4 thermc 7h 9 0 0g 300.000 5000.000 1391.000 11 1.87160632E+01 2.32452043E-02-8.13692445E-06 1.28315597E-09-7.52639556E-14 2 1.62525768E+04-8.16109063E+01-6.86241952E+00 8.45179423E-02-6.48308695E-05 3 2.54065851E-08-4.05045492E-12 2.49790265E+04 5.52165735E+01 4 END