!SUPPLEMENT DATA FOR !"A KINETIC MODELING STUDY ON THE OXIDATION OF PRIMARY REFERENCE FUEL-TOLUENE MIXTURES INCLUDING CROSS REACTIONS BETWEEN AROMATICS AND ALIPHATICS" !YASUYUKI SAKAI, AKIRA MIYOSHI, MITSUO KOSHI AND WILLIAM J. PITZ !------------------------------------------------------------------------------- !------------------------------------------------------------------------------- !GASOLINE SURROGATE FUEL OXIDATION MECHANISM !THIS MECHANISM CONTAINS THE OXIDATION OF N-HEPTANE, ISO-OCTANE, ETHANOL, !ETHYL TERT-BUTYL ETHER AND TOLUENE. ! !THIS KINETIC MODEL HAS BEEN CONSTRUCTED BASED ON PRF/ETBE/ETHANOL MODEL BY T.OGURA, TOLUENE MODEL BY W.J. PITZ.! ! !REFERENCE !OGURA, T., SAKAI, Y., MIYOSHI, A., KOSHI, M., DAGAUT, P., MODELING OF THE OXIDATION OF PRIMARY REFERENCE FUEL IN THE PRESENCE OF OXYGENATED IMPROVERS: ETHYL TERT-BUTYL ETHER AND ETHANOL, ENERGY & FUELS 21 (2007) 3233-3239. !SAKAI, Y., INAMURA, T., OGURA, T., KOSHI, M, PITZ, W.J., DETAILED KINETIC MODELING OF TOLUENE COMBUSTION OVER A WIDE RANGE OF TEMPERATURE AND PRESSURE, SAE PAPER, JSAE 20077139/SAE 2007-01-1885 (2007). !SAKAI, Y., OZAWA, H., OGURA, T., MIYOSHI, A., KOSHI, M., PITZ, W.J., EFFECTS OF TOLUENE ADDITION TO PRIMARY REFERENCE FUEL AT HIGH TEMPERATURE, SAE PAPER, SAE2007-01-4104 (2007). !PITZ, W.J., SEISER, R., BOZZELLI, J.W., DA COSTA, I., FOURNET, R., BILLAUD, F., BATTIN-LECLERC, F., SESHADRI, K., WESTBROOK, C.K., CHEMICAL KINETIC CHARACTERIZATION OF THE COMBUSTION OF TOLUENE, PROC. OF THE 2ND JOINT MEETING OF THE U.S. SECTIONS OF THE COMBUSTION INSTITUTE (2001). !------------------------------------------------------------------------------- !------------------------------------------------------------------------------- THERMO 300.000 1000.000 5000.000 !*****************************PRF_ETBE_V7F************************************** NC7H16 TH0604C 7H 16 G 300.000 5000.000 1391.00 1 2.22177923E+01 3.47632604E-02-1.18388528E-05 1.83265875E-09-1.06109932E-13 2 -3.42772591E+04-9.23217457E+01-1.26871064E+00 8.54348955E-02-5.25290944E-05 3 1.62884286E-08-2.02214778E-12-2.56586562E+04 3.53739478E+01 4 IC8H18 TH0604C 8H 18 G 300.000 5000.000 1397.00 1 2.70920030E+01 3.79052142E-02-1.29375691E-05 2.00580387E-09-1.16261109E-13 2 -4.27201269E+04-1.22972430E+02-4.20184373E+00 1.11525135E-01-7.94018605E-05 3 2.94327964E-08-4.47928170E-12-3.19113977E+04 4.48981238E+01 4 NC7H15A TH0604C 7H 15 G 300.000 5000.000 1390.00 1 2.17912093E+01 3.26325786E-02-1.11158293E-05 1.72102682E-09-9.96590187E-14 2 -9.20792426E+03-8.64796287E+01-4.96403973E-01 8.08718781E-02-5.00429940E-05 3 1.56520975E-08-1.96616104E-12-1.04606801E+03 3.46408403E+01 4 NC7H15B TH0604C 7H 15 G 300.000 5000.000 1382.00 1 2.16358383E+01 3.23340841E-02-1.09280566E-05 1.68368616E-09-9.71844623E-14 2 -1.05866176E+04-8.52122680E+01-3.88848544E-02 7.56801544E-02-4.07609055E-05 3 9.33601461E-09-4.94482163E-13-2.35589863E+03 3.37383486E+01 4 NC7H15C TH0604C 7H 15 G 300.000 5000.000 1382.00 1 2.16358383E+01 3.23340841E-02-1.09280566E-05 1.68368616E-09-9.71844623E-14 2 -1.05866176E+04-8.52122680E+01-3.88848544E-02 7.56801544E-02-4.07609055E-05 3 9.33601461E-09-4.94482163E-13-2.35589863E+03 3.37383486E+01 4 NC7H15D TH0604C 7H 15 G 300.000 5000.000 1382.00 1 2.16358383E+01 3.23340841E-02-1.09280566E-05 1.68368616E-09-9.71844623E-14 2 -1.05866176E+04-8.59063108E+01-3.88848544E-02 7.56801544E-02-4.07609055E-05 3 9.33601461E-09-4.94482163E-13-2.35589863E+03 3.30443058E+01 4 C6H13A TH0604C 6H 13 G 300.000 5000.000 1390.00 1 1.85415608E+01 2.83016441E-02-9.64844848E-06 1.49460059E-09-8.65764096E-14 2 -5.09117773E+03-7.04589654E+01-2.27296189E-01 6.85114184E-02-4.16585107E-05 3 1.27480713E-08-1.55959242E-12 1.83482261E+03 3.17046127E+01 4 C5H11A TH0604C 5H 11 G 300.000 5000.000 1390.00 1 1.52896647E+01 2.39755267E-02-8.18341222E-06 1.26861432E-09-7.35224954E-14 2 -9.72919304E+02-5.44277267E+01 5.79609854E-02 5.60823625E-02-3.31785211E-05 3 9.79021087E-09-1.14223950E-12 4.71440753E+03 2.86918308E+01 4 NC3H7 TH0604C 3H 7 G 300.000 5000.000 1388.00 1 8.82474241E+00 1.52675665E-02-5.22986834E-06 8.12595389E-10-4.71654156E-14 2 7.24630333E+03-2.25856849E+01 6.42348691E-01 3.11345459E-02-1.60372003E-05 3 3.73687708E-09-2.73464258E-13 1.04720818E+04 2.26094619E+01 4 NC4H9 TH0604C 4H 9 G 300.000 5000.000 1390.00 1 1.20446721E+01 1.96401757E-02-6.71463208E-06 1.04199975E-09-6.04306569E-14 2 3.14204347E+03-3.84351609E+01 3.55351766E-01 4.35958948E-02-2.46064842E-05 3 6.77248651E-09-7.11381112E-13 7.59222528E+03 2.56246477E+01 4 IC8H17A TH0604C 8H 17 G 300.000 5000.000 1397.00 1 2.66699039E+01 3.57668941E-02-1.22111069E-05 1.89355489E-09-1.09771124E-13 2 -1.76522567E+04-1.16748598E+02-3.44104605E+00 1.07009145E-01-7.69776230E-05 3 2.88290095E-08-4.42938429E-12-7.29698319E+03 4.46256051E+01 4 IC8H17B TH0604C 8H 17 G 300.000 5000.000 1393.00 1 2.64552622E+01 3.55440069E-02-1.20528460E-05 1.86101603E-09-1.07579175E-13 2 -1.90011197E+04-1.16235434E+02-3.08982602E+00 1.02313728E-01-6.84786443E-05 3 2.30138816E-08-3.06907219E-12-8.59119871E+03 4.31119876E+01 4 IC8H17C TH0604C 8H 17 G 300.000 5000.000 1391.00 1 2.51272998E+01 3.70884662E-02-1.26690109E-05 1.96520206E-09-1.13948587E-13 2 -1.94528029E+04-1.08882326E+02-1.36188399E-01 8.95911214E-02-5.19109344E-05 3 1.41679587E-08-1.36451909E-12-1.00175669E+04 2.91251126E+01 4 IC8H17D TH0604C 8H 17 G 300.000 5000.000 1397.00 1 2.66699039E+01 3.57668941E-02-1.22111069E-05 1.89355489E-09-1.09771124E-13 2 -1.76522567E+04-1.17846797E+02-3.44104605E+00 1.07009145E-01-7.69776230E-05 3 2.88290095E-08-4.42938429E-12-7.29698319E+03 4.35274056E+01 4 C7H15A TH0604C 7H 15 G 300.000 5000.000 1384.00 1 2.04588697E+01 3.43064774E-02-1.18097483E-05 1.84120406E-09-1.07127988E-13 2 -1.34975920E+04-8.18247065E+01 1.31642770E+00 6.95797011E-02-3.30619041E-05 3 5.79459288E-09 4.32382924E-14-5.78577320E+03 2.45317227E+01 4 TC4H9 TH0604C 4H 9 G 300.000 5000.000 1371.00 1 1.06256766E+01 2.10524192E-02-7.24699414E-06 1.12975765E-09-6.57275211E-14 2 8.98003085E+01-3.28154286E+01 3.00651244E+00 2.87404049E-02-2.86301425E-06 3 -5.92506428E-09 1.92085423E-12 3.85126136E+03 1.18650543E+01 4 IC4H9 TH0604C 4H 9 G 300.000 5000.000 1389.00 1 1.21596150E+01 1.97412861E-02-6.79323159E-06 1.05880234E-09-6.15918443E-14 2 1.89478674E+03-4.06305807E+01-2.60119556E-01 4.59801603E-02-2.76540140E-05 3 8.55997651E-09-1.10410554E-12 6.56626481E+03 2.71901259E+01 4 C5H11B TH0604C 5H 11 G 300.000 5000.000 1399.00 1 1.69959366E+01 2.24009208E-02-7.61544336E-06 1.17760581E-09-6.81354004E-14 2 -4.14146757E+03-6.86921852E+01-2.14067569E+00 6.78957604E-02-4.90513405E-05 3 1.83744735E-08-2.80901680E-12 2.39723298E+03 3.37551329E+01 4 IC3H7 TH0604C 3H 7 G 300.000 5000.000 1999.00 1 7.09001153E+00 1.70236198E-02-5.94979925E-06 9.40957054E-10-5.53932270E-14 2 6.75927916E+03-1.26897658E+01 6.35981674E-01 2.84995364E-02-1.14520937E-05 3 8.92803184E-10 3.13189892E-13 9.22197497E+03 2.30735195E+01 4 C7H15OOA TH0604C 7H 15O 2 G 300.000 5000.000 1388.00 1 2.52819036E+01 3.50663289E-02-1.21129829E-05 1.89283711E-09-1.10308954E-13 2 -2.70586287E+04-1.00192675E+02 1.16991481E+00 8.86289525E-02-5.83257561E-05 3 2.05648298E-08-3.10938022E-12-1.82304852E+04 3.05826217E+01 4 C7H15OA TH0604C 7H 15O 1 G 300.000 5000.000 1391.00 1 2.36633299E+01 3.38166950E-02-1.15728069E-05 1.79729377E-09-1.04295933E-13 2 -2.65364720E+04-9.49783128E+01-4.68152436E-01 8.74962241E-02-5.69525033E-05 3 1.92438753E-08-2.69227009E-12-1.78229560E+04 3.56841037E+01 4 C3H6 TH0604C 3H 6 G 300.000 5000.000 1388.00 1 8.01816543E+00 1.36989847E-02-4.66102270E-06 7.20993895E-10-4.17206749E-14 2 -1.87849595E+03-2.00297954E+01 3.92921186E-01 2.89160669E-02-1.54920156E-05 3 3.88742327E-09-3.37241003E-13 1.06771101E+03 2.19072716E+01 4 C7H15OOB TH0604C 7H 15O 2 G 300.000 5000.000 1390.00 1 2.60523050E+01 3.43839001E-02-1.18715005E-05 1.85452176E-09-1.08053193E-13 2 -2.94761134E+04-1.05463689E+02 3.59006547E-01 9.42245153E-02-6.66804487E-05 3 2.54724302E-08-4.13086673E-12-2.03728288E+04 3.28613586E+01 4 C7H15OB TH0604C 7H 15O 1 G 300.000 5000.000 1395.00 1 2.43050592E+01 3.31299633E-02-1.13048045E-05 1.75223806E-09-1.01542653E-13 2 -2.88617678E+04-9.94127348E+01-1.08852878E+00 9.23114953E-02-6.44357297E-05 3 2.36757686E-08-3.61001227E-12-1.99930305E+04 3.70751744E+01 4 C6H12A TH0604C 6H 12 G 300.000 5000.000 1392.00 1 1.78356823E+01 2.67321441E-02-9.09759635E-06 1.40768219E-09-8.14791708E-14 2 -1.42045336E+04-6.83894014E+01-1.34995472E+00 6.98841400E-02-4.59957417E-05 3 1.57397219E-08-2.22359635E-12-7.34440244E+03 3.52913701E+01 4 N1C4H8 TH0604C 4H 8 G 300.000 5000.000 1393.00 1 1.13383372E+01 1.80696269E-02-6.16290566E-06 9.54876873E-10-5.53183198E-14 2 -5.97159468E+03-3.63625040E+01-8.17431935E-01 4.51838624E-02-2.92540707E-05 3 9.94862472E-09-1.41440983E-12-1.58042900E+03 2.94450641E+01 4 C7H15OOC TH0604C 7H 15O 2 G 300.000 5000.000 1390.00 1 2.60523050E+01 3.43839001E-02-1.18715005E-05 1.85452176E-09-1.08053193E-13 2 -2.94761134E+04-1.05463689E+02 3.59006547E-01 9.42245153E-02-6.66804487E-05 3 2.54724302E-08-4.13086673E-12-2.03728288E+04 3.28613586E+01 4 C7H15OC TH0604C 7H 15O 1 G 300.000 5000.000 1395.00 1 2.43050592E+01 3.31299633E-02-1.13048045E-05 1.75223806E-09-1.01542653E-13 2 -2.88617678E+04-9.94127348E+01-1.08852878E+00 9.23114953E-02-6.44357297E-05 3 2.36757686E-08-3.61001227E-12-1.99930305E+04 3.70751744E+01 4 C5H10A TH0604C 5H 10 G 300.000 5000.000 1392.00 1 1.45837757E+01 2.24057409E-02-7.63231344E-06 1.18163580E-09-6.84206955E-14 2 -1.00871422E+04-5.23577225E+01-1.07237458E+00 5.74872482E-02-3.75589723E-05 3 1.28055098E-08-1.81083209E-12-4.46482377E+03 3.23144603E+01 4 C7H15OOD TH0604C 7H 15O 2 G 300.000 5000.000 1390.00 1 2.60523050E+01 3.43839001E-02-1.18715005E-05 1.85452176E-09-1.08053193E-13 2 -2.94761134E+04-1.05463689E+02 3.59006547E-01 9.42245153E-02-6.66804487E-05 3 2.54724302E-08-4.13086673E-12-2.03728288E+04 3.28613586E+01 4 C7H15OD TH0604C 7H 15O 1 G 300.000 5000.000 1395.00 1 2.43050592E+01 3.31299633E-02-1.13048045E-05 1.75223806E-09-1.01542653E-13 2 -2.88617678E+04-9.94127348E+01-1.08852878E+00 9.23114953E-02-6.44357297E-05 3 2.36757686E-08-3.61001227E-12-1.99930305E+04 3.70751744E+01 4 C6H13B TH0604C 6H 13 G 300.000 5000.000 1380.00 1 1.83699760E+01 2.80245642E-02-9.46930313E-06 1.45870173E-09-8.41886220E-14 2 -6.46075699E+03-6.90983431E+01 2.30372993E-01 6.33292957E-02-3.24066253E-05 3 6.45798260E-09-9.45180793E-14 5.25941953E+02 3.07983265E+01 4 C6H13C TH0604C 6H 13 G 300.000 5000.000 1380.00 1 1.83699760E+01 2.80245642E-02-9.46930313E-06 1.45870173E-09-8.41886220E-14 2 -6.46075699E+03-6.90983431E+01 2.30372993E-01 6.33292957E-02-3.24066253E-05 3 6.45798260E-09-9.45180793E-14 5.25941953E+02 3.07983265E+01 4 C6H13OOA TH0604C 6H 13O 2 G 300.000 5000.000 1387.00 1 2.21337276E+01 3.05474403E-02-1.05594628E-05 1.65084083E-09-9.62367282E-14 2 -2.29653593E+04-8.47135178E+01 1.23905897E+00 7.71770399E-02-5.12116759E-05 3 1.83498694E-08-2.83415980E-12-1.53192305E+04 2.85654600E+01 4 C6H13OA TH0604C 6H 13O 1 G 300.000 5000.000 1391.00 1 2.05012062E+01 2.93101681E-02-1.00236681E-05 1.55599384E-09-9.02647661E-14 2 -2.24394699E+04-7.94214313E+01-2.82829135E-01 7.54694395E-02-4.89504713E-05 3 1.64711160E-08-2.29333012E-12-1.49275899E+04 3.31416151E+01 4 C5H11C TH0604C 5H 11 G 300.000 5000.000 1377.00 1 1.50998764E+01 2.37223100E-02-8.01377255E-06 1.23428778E-09-7.12285077E-14 2 -2.33461229E+03-5.29597907E+01 5.01594053E-01 5.09716101E-02-2.40464656E-05 3 3.57967358E-09 3.04889529E-13 3.40624666E+03 2.78500993E+01 4 C5H11OOA TH0604C 5H 11O 2 G 300.000 5000.000 1387.00 1 1.89831595E+01 2.60196914E-02-9.00050265E-06 1.40774928E-09-8.20908408E-14 2 -1.88689739E+04-6.92113567E+01 1.41858976E+00 6.52311658E-02-4.33549647E-05 3 1.56663920E-08-2.45372275E-12-1.24258203E+04 2.60375582E+01 4 C5H11OA TH0604C 5H 11O 1 G 300.000 5000.000 1391.00 1 1.73236219E+01 2.48203715E-02-8.48100068E-06 1.31576937E-09-7.62986242E-14 2 -1.83359212E+04-6.37764852E+01-9.49225926E-02 6.34318955E-02-4.09554419E-05 3 1.37149077E-08-1.89993276E-12-1.20324840E+04 3.05865894E+01 4 NC3H7OO TH0604C 3H 7O 2 G 300.000 5000.000 1384.00 1 1.26358104E+01 1.69826364E-02-5.88446952E-06 9.21405273E-10-5.37716022E-14 2 -1.06609718E+04-3.79475892E+01 2.14160552E+00 3.94431787E-02-2.46588671E-05 3 8.39616650E-09-1.26528983E-12-6.68361743E+03 1.93556510E+01 4 NC3H7O TH0604C 3H 7O 1 G 300.000 5000.000 1390.00 1 1.10124774E+01 1.58110330E-02-5.38732233E-06 8.34235317E-10-4.83124941E-14 2 -1.01526228E+04-3.27485288E+01 2.90132785E-01 3.93080994E-02-2.48096369E-05 3 8.07264123E-09-1.08031312E-12-6.24520063E+03 2.54349669E+01 4 NC4H9OO TH0604C 4H 9O 2 G 300.000 5000.000 1385.00 1 1.57884711E+01 2.15114780E-02-7.44438587E-06 1.16470195E-09-6.79315556E-14 2 -1.47569628E+04-5.34570693E+01 1.96709548E+00 5.14230265E-02-3.26027149E-05 3 1.11468866E-08-1.66240277E-12-9.58059267E+03 2.18481291E+01 4 NC4H9O TH0604C 4H 9O 1 G 300.000 5000.000 1391.00 1 1.41634831E+01 2.03196759E-02-6.93551229E-06 1.07520795E-09-6.23172219E-14 2 -1.42413555E+04-4.82352563E+01 9.62274986E-02 5.13799774E-02-3.29079732E-05 3 1.09141282E-08-1.49525908E-12-9.13808685E+03 2.80166124E+01 4 C7H14A TH0604C 7H 14 G 300.000 5000.000 1393.00 1 2.09989914E+01 3.15482401E-02-1.08190658E-05 1.68245963E-09-9.77180439E-14 2 -2.11991231E+04-8.62699836E+01-1.17673957E+00 8.15242378E-02-5.41213741E-05 3 1.89724530E-08-2.79340313E-12-1.32280778E+04 3.36202940E+01 4 IC4H8 TH0604C 4H 8 G 300.000 5000.000 1388.00 1 1.12250420E+01 1.81815694E-02-6.20445208E-06 9.61623502E-10-5.57203448E-14 2 -7.69990589E+03-3.73290465E+01 9.39096232E-01 3.90507649E-02-2.16375684E-05 3 5.86955550E-09-6.13931254E-13-3.74834503E+03 1.91392713E+01 4 C8H17OOA TH0604C 8H 17O 2 G 300.000 5000.000 1393.00 1 3.02815461E+01 3.78701196E-02-1.30452172E-05 2.03491777E-09-1.18449413E-13 2 -3.55060859E+04-1.31041157E+02-1.73390621E+00 1.14512511E-01-8.46755453E-05 3 3.31512269E-08-5.39324093E-12-2.44863794E+04 4.03893162E+01 4 C8H17OA TH0604C 8H 17O 1 G 300.000 5000.000 1397.00 1 2.88779444E+01 3.62823008E-02-1.23573206E-05 1.91334087E-09-1.10808151E-13 2 -3.50619417E+04-1.27029706E+02-3.76842624E+00 1.15078558E-01-8.56110978E-05 3 3.30896894E-08-5.22233253E-12-2.40181276E+04 4.73351152E+01 4 C7H14B TH0604C 7H 14 G 300.000 5000.000 1395.00 1 2.24912357E+01 2.96685986E-02-1.00455975E-05 1.54950613E-09-8.95071232E-14 2 -2.24019669E+04-9.74583681E+01-3.30938880E+00 9.05113458E-02-6.47606480E-05 3 2.38759306E-08-3.57718690E-12-1.35517265E+04 4.08164660E+01 4 C7H14C TH0604C 7H 14 G 300.000 5000.000 1392.00 1 2.05083281E+01 3.19626706E-02-1.09610588E-05 1.70448705E-09-9.89939539E-14 2 -2.23946135E+04-8.39317730E+01-8.32502346E-01 7.89457540E-02-5.04115761E-05 3 1.68659520E-08-2.36601495E-12-1.45993272E+04 3.18608277E+01 4 C8H17OOB TH0604C 8H 17O 2 G 300.000 5000.000 1394.00 1 3.09355421E+01 3.74105002E-02-1.29073110E-05 2.01549577E-09-1.17402236E-13 2 -3.78977875E+04-1.36798535E+02-3.06443818E+00 1.22613369E-01-9.71774181E-05 3 4.08857690E-08-7.08508839E-12-2.65537797E+04 4.39441843E+01 4 C8H17OB TH0604C 8H 17O 1 G 300.000 5000.000 1400.00 1 2.92000599E+01 3.62425322E-02-1.23912392E-05 1.92327737E-09-1.11564645E-13 2 -3.73134757E+04-1.30872815E+02-3.96943499E+00 1.18162148E-01-9.09286549E-05 3 3.65727157E-08-6.01087592E-12-2.62535880E+04 4.56667705E+01 4 C8H17OOC TH0604C 8H 17O 2 G 300.000 5000.000 1394.00 1 3.09523052E+01 3.73769320E-02-1.28913771E-05 2.01254874E-09-1.17211828E-13 2 -3.90681095E+04-1.37290980E+02-1.75671055E+00 1.17824790E-01-9.07699446E-05 3 3.71865992E-08-6.30882070E-12-2.80025999E+04 3.71284748E+01 4 C8H17OC TH0604C 8H 17O 1 G 300.000 5000.000 1398.00 1 2.94999945E+01 3.58627756E-02-1.22348848E-05 1.89641010E-09-1.09906224E-13 2 -3.86042648E+04-1.33004845E+02-3.83492757E+00 1.18611914E-01-9.20949767E-05 3 3.74028664E-08-6.20515468E-12-2.75282222E+04 4.42723169E+01 4 C7H14D TH0604C 7H 14 G 300.000 5000.000 1398.00 1 2.28184885E+01 2.94531258E-02-9.98286247E-06 1.54074981E-09-8.90339513E-14 2 -2.15038513E+04-9.88304825E+01-3.79501877E+00 9.39375118E-02-7.00389474E-05 3 2.70788134E-08-4.26177918E-12-1.25466907E+04 4.31893315E+01 4 C8H17OOD TH0604C 8H 17O 2 G 300.000 5000.000 1393.00 1 3.02815461E+01 3.78701196E-02-1.30452172E-05 2.03491777E-09-1.18449413E-13 2 -3.55060859E+04-1.32139357E+02-1.73390621E+00 1.14512511E-01-8.46755453E-05 3 3.31512269E-08-5.39324093E-12-2.44863794E+04 3.92911168E+01 4 C8H17OD TH0604C 8H 17O 1 G 300.000 5000.000 1397.00 1 2.88779444E+01 3.62823008E-02-1.23573206E-05 1.91334087E-09-1.10808151E-13 2 -3.50619417E+04-1.28127906E+02-3.76842624E+00 1.15078558E-01-8.56110978E-05 3 3.30896894E-08-5.22233253E-12-2.40181276E+04 4.62369157E+01 4 C7H15OOE TH0604C 7H 15O 2 G 300.000 5000.000 1391.00 1 2.63673124E+01 3.41216160E-02-1.17823046E-05 1.84074134E-09-1.07256861E-13 2 -3.30564086E+04-1.10480596E+02-1.41387516E-01 9.70973472E-02-7.08508528E-05 3 2.79147341E-08-4.64157249E-12-2.37964961E+04 3.17813929E+01 4 C7H15OE TH0604C 7H 15O 1 G 300.000 5000.000 1394.00 1 2.48116857E+01 3.27947721E-02-1.12107862E-05 1.73985770E-09-1.00916080E-13 2 -3.25598041E+04-1.05632584E+02-2.16034604E+00 9.76673735E-02-7.19761591E-05 3 2.81091306E-08-4.55259042E-12-2.33306485E+04 3.86436770E+01 4 TC4H9OO TH0604C 4H 9O 2 G 300.000 5000.000 1388.00 1 1.67058984E+01 2.07323603E-02-7.17567331E-06 1.12276440E-09-6.54899981E-14 2 -1.95483137E+04-6.24927935E+01 1.08505542E+00 5.82898653E-02-4.33480683E-05 3 1.77008036E-08-3.07015027E-12-1.40893428E+04 2.12589215E+01 4 TC4H9O TH0604C 4H 9O 1 G 300.000 5000.000 1394.00 1 1.50688814E+01 1.95674999E-02-6.67963778E-06 1.03563129E-09-6.00271946E-14 2 -1.90322337E+04-5.72111459E+01-7.92462395E-01 5.82827386E-02-4.37291229E-05 3 1.75352215E-08-2.92197246E-12-1.36471080E+04 2.74561926E+01 4 IC4H9OO TH0604C 4H 9O 2 G 300.000 5000.000 1387.00 1 1.59780574E+01 2.13441008E-02-7.38544679E-06 1.15539339E-09-6.73856879E-14 2 -1.59750835E+04-5.59443572E+01 1.24272566E+00 5.43890543E-02-3.64425979E-05 3 1.32341306E-08-2.07445276E-12-1.05935255E+04 2.38944249E+01 4 IC4H9O TH0604C 4H 9O 1 G 300.000 5000.000 1392.00 1 1.44480458E+01 1.99859654E-02-6.80166936E-06 1.05249270E-09-6.09247669E-14 2 -1.54904191E+04-5.12428369E+01-7.11880767E-01 5.46877554E-02-3.71517540E-05 3 1.31637211E-08-1.92629919E-12-1.01391891E+04 3.04534755E+01 4 C5H11OOB TH0604C 5H 11O 2 G 300.000 5000.000 1392.00 1 2.05538403E+01 2.46185943E-02-8.50351949E-06 1.32884403E-09-7.74456688E-14 2 -2.19859915E+04-8.27066274E+01-3.74008382E-01 7.51252154E-02-5.63852256E-05 3 2.25311757E-08-3.74941830E-12-1.48006371E+04 2.92477855E+01 4 C5H11OB TH0604C 5H 11O 1 G 300.000 5000.000 1399.00 1 1.91337372E+01 2.30592202E-02-7.82853780E-06 1.20959841E-09-6.99526491E-14 2 -2.15342962E+04-7.86029105E+01-2.36398486E+00 7.55285405E-02-5.71242548E-05 3 2.23749436E-08-3.56243347E-12-1.43387873E+04 3.59791760E+01 4 IC3H7OO TH0604C 3H 7O 2 G 300.000 5000.000 1388.00 1 1.32488195E+01 1.64083646E-02-5.67430090E-06 8.87325778E-10-5.17352293E-14 2 -1.30017739E+04-4.22773724E+01 1.49813919E+00 4.43151907E-02-3.22541343E-05 3 1.29772510E-08-2.23565635E-12-8.84981253E+03 2.08651276E+01 4 IC3H7O TH0604C 3H 7O 1 G 300.000 5000.000 1395.00 1 1.14588130E+01 1.55917066E-02-5.34515085E-06 8.30993770E-10-4.82543748E-14 2 -1.24639350E+04-3.62166854E+01-1.05309519E-01 4.31314619E-02-3.10919627E-05 3 1.20854060E-08-1.97645033E-12-8.44804370E+03 2.57904758E+01 4 C7H14E TH0604C 7H 14 G 300.000 5000.000 1392.00 1 2.10940588E+01 3.10498828E-02-1.05593207E-05 1.63312380E-09-9.45007428E-14 2 -1.83260422E+04-8.44595763E+01-1.62507490E+00 8.22653289E-02-5.43996892E-05 3 1.86487534E-08-2.63008319E-12-1.02254626E+04 3.82564942E+01 4 C7H14OOHA TH0604C 7H 15O 2 G 300.000 5000.000 1383.00 1 2.72162121E+01 3.25182271E-02-1.11380492E-05 1.73147550E-09-1.00567271E-13 2 -2.25978908E+04-1.08924821E+02 1.22308964E+00 8.86040921E-02-5.58555340E-05 3 1.73322219E-08-2.09897877E-12-1.31033389E+04 3.23280624E+01 4 C7H14OOHB TH0604C 7H 15O 2 G 300.000 5000.000 1383.00 1 2.72162121E+01 3.25182271E-02-1.11380492E-05 1.73147550E-09-1.00567271E-13 2 -2.25978908E+04-1.08924821E+02 1.22308964E+00 8.86040921E-02-5.58555340E-05 3 1.73322219E-08-2.09897877E-12-1.31033389E+04 3.23280624E+01 4 C7H14OOHC TH0604C 7H 15O 2 G 300.000 5000.000 1383.00 1 2.72162121E+01 3.25182271E-02-1.11380492E-05 1.73147550E-09-1.00567271E-13 2 -2.25978908E+04-1.08924821E+02 1.22308964E+00 8.86040921E-02-5.58555340E-05 3 1.73322219E-08-2.09897877E-12-1.31033389E+04 3.23280624E+01 4 C7H15OOHA TH0604C 7H 16O 2 G 300.000 5000.000 1388.00 1 2.77257471E+01 3.52517338E-02-1.22097105E-05 1.91153367E-09-1.11549046E-13 2 -4.63297635E+04-1.15084264E+02 2.62202439E-01 9.71239018E-02-6.59394941E-05 3 2.35001280E-08-3.51482496E-12-3.64435712E+04 3.34242442E+01 4 AC3H5 TH0604C 3H 5 G 300.000 5000.000 1386.00 1 8.86716623E+00 1.09017161E-02-3.80111689E-06 5.97754270E-10-3.49908641E-14 2 1.61010768E+04-2.50805399E+01-3.38203444E-01 3.23181416E-02-2.33791351E-05 3 9.01780357E-09-1.46769445E-12 1.93623652E+04 2.44831718E+01 4 C7H14F TH0604C 7H 14 G 300.000 5000.000 1390.00 1 2.06221105E+01 3.14786886E-02-1.07132206E-05 1.65775364E-09-9.59589255E-14 2 -1.96720154E+04-8.22645077E+01-1.10276416E+00 7.87925976E-02-4.92721196E-05 3 1.56665665E-08-2.01505497E-12-1.17460382E+04 3.56934070E+01 4 C7H14OOHD TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHE TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHF TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHG TH0604C 7H 15O 2 G 300.000 5000.000 1390.00 1 2.81408012E+01 3.23820861E-02-1.12269023E-05 1.75887995E-09-1.02691666E-13 2 -2.37140103E+04-1.15633313E+02 1.54609383E-01 9.84168543E-02-7.20382509E-05 3 2.78445584E-08-4.48655808E-12-1.39624392E+04 3.46020747E+01 4 C7H15OOHB TH0604C 7H 16O 2 G 300.000 5000.000 1390.00 1 2.85696040E+01 3.45362690E-02-1.19635215E-05 1.87319578E-09-1.09321273E-13 2 -4.87912635E+04-1.20812558E+02-5.93636262E-01 1.02847108E-01-7.42877994E-05 3 2.83328117E-08-4.51137547E-12-3.85781122E+04 3.59212486E+01 4 C5H11CHOA TH0604C 6H 12O 1 G 300.000 5000.000 1384.00 1 1.98861818E+01 2.71899932E-02-9.27504904E-06 1.43762298E-09-8.33196998E-14 2 -3.97507861E+04-7.60580609E+01 1.37588450E+00 6.65663278E-02-4.04451075E-05 3 1.23865422E-08-1.52977867E-12-3.28743401E+04 2.48291620E+01 4 C6H11A TH0604C 6H 11 G 300.000 5000.000 1389.00 1 1.76852076E+01 2.49374655E-02-8.61546338E-06 1.34657432E-09-7.84901263E-14 2 2.70397577E+03-6.90590654E+01-1.28406451E+00 6.64450892E-02-4.28585565E-05 3 1.40823333E-08-1.89153633E-12 9.62331529E+03 3.38985175E+01 4 NC4H7A TH0604C 4H 7 G 300.000 5000.000 1385.00 1 1.13459847E+01 1.60417185E-02-5.58093337E-06 8.76360534E-10-5.12478622E-14 2 1.08663598E+04-3.79411860E+01-8.69243930E-01 4.21194899E-02-2.64645256E-05 3 8.39318000E-09-1.08756419E-12 1.54086007E+04 2.86256820E+01 4 C7H14G TH0604C 7H 14 G 300.000 5000.000 1392.00 1 2.06854576E+01 3.15323515E-02-1.07540610E-05 1.66634221E-09-9.65451314E-14 2 -1.96440889E+04-8.25357667E+01-2.03839866E+00 8.26990618E-02-5.46731146E-05 3 1.88518928E-08-2.69422222E-12-1.15135635E+04 4.02640728E+01 4 C7H14OOHH TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHI TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHJ TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHK TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHL TH0604C 7H 15O 2 G 300.000 5000.000 1390.00 1 2.81408012E+01 3.23820861E-02-1.12269023E-05 1.75887995E-09-1.02691666E-13 2 -2.37140103E+04-1.15633313E+02 1.54609383E-01 9.84168543E-02-7.20382509E-05 3 2.78445584E-08-4.48655808E-12-1.39624392E+04 3.46020747E+01 4 C7H15OOHC TH0604C 7H 16O 2 G 300.000 5000.000 1390.00 1 2.85696040E+01 3.45362690E-02-1.19635215E-05 1.87319578E-09-1.09321273E-13 2 -4.87912635E+04-1.20812558E+02-5.93636262E-01 1.02847108E-01-7.42877994E-05 3 2.83328117E-08-4.51137547E-12-3.85781122E+04 3.59212486E+01 4 C4H9CHOA TH0604C 5H 10O 1 G 300.000 5000.000 1381.00 1 1.67953719E+01 2.25687940E-02-7.67629796E-06 1.18767699E-09-6.87530271E-14 2 -3.56815137E+04-6.08999373E+01 1.59619081E+00 5.43605145E-02-3.21180471E-05 3 9.37010659E-09-1.06995198E-12-2.99838657E+04 2.21283177E+01 4 C2H5CHO TH0604C 3H 6O 1 G 300.000 5000.000 1371.00 1 1.05310415E+01 1.35082084E-02-4.56621332E-06 7.03993129E-10-4.06665713E-14 2 -2.75280643E+04-3.01554495E+01 2.15562353E+00 2.94504702E-02-1.48112328E-05 3 3.03125490E-09-1.03434330E-13-2.42225768E+04 1.61706413E+01 4 C5H9A TH0604C 5H 9 G 300.000 5000.000 1388.00 1 1.45041351E+01 2.05083694E-02-7.10654706E-06 1.11295524E-09-6.49627735E-14 2 6.79087910E+03-5.34346369E+01-1.04797696E+00 5.41768083E-02-3.45284353E-05 3 1.11684416E-08-1.47643393E-12 1.25116524E+04 3.11242264E+01 4 C7H14OOHM TH0604C 7H 15O 2 G 300.000 5000.000 1390.00 1 2.81408012E+01 3.23820861E-02-1.12269023E-05 1.75887995E-09-1.02691666E-13 2 -2.37140103E+04-1.15633313E+02 1.54609383E-01 9.84168543E-02-7.20382509E-05 3 2.78445584E-08-4.48655808E-12-1.39624392E+04 3.46020747E+01 4 C7H14OOHN TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H14OOHO TH0604C 7H 15O 2 G 300.000 5000.000 1389.00 1 2.74573337E+01 3.26265036E-02-1.12386517E-05 1.75329980E-09-1.02071273E-13 2 -2.48239746E+04-1.11231599E+02 8.68010527E-01 9.24071780E-02-6.23385915E-05 3 2.16105189E-08-3.07642818E-12-1.53160279E+04 3.24663802E+01 4 C7H15OOHD TH0604C 7H 16O 2 G 300.000 5000.000 1390.00 1 2.85696040E+01 3.45362690E-02-1.19635215E-05 1.87319578E-09-1.09321273E-13 2 -4.87912635E+04-1.20812558E+02-5.93636262E-01 1.02847108E-01-7.42877994E-05 3 2.83328117E-08-4.51137547E-12-3.85781122E+04 3.59212486E+01 4 NC3H7CHO TH0604C 4H 8O 1 G 300.000 5000.000 1374.00 1 1.38472703E+01 1.77300811E-02-5.98626568E-06 9.22165641E-10-5.32379526E-14 2 -3.16736604E+04-4.65515385E+01 1.85498989E+00 4.19280128E-02-2.33407737E-05 3 6.00051122E-09-5.20532858E-13-2.70993172E+04 1.92574741E+01 4 C6H13OOB TH0604C 6H 13O 2 G 300.000 5000.000 1390.00 1 2.28565316E+01 2.98920584E-02-1.03242626E-05 1.61318179E-09-9.40058456E-14 2 -2.53586062E+04-8.96967178E+01 5.29761427E-01 8.23114543E-02-5.89580644E-05 3 2.29139270E-08-3.78433641E-12-1.74761018E+04 3.03786084E+01 4 C6H13OB TH0604C 6H 13O 1 G 300.000 5000.000 1396.00 1 2.10592377E+01 2.87948208E-02-9.83594377E-06 1.52559177E-09-8.84480954E-14 2 -2.47457660E+04-8.34139929E+01-7.81108002E-01 7.97821540E-02-5.57977603E-05 3 2.06149151E-08-3.16910893E-12-1.71167996E+04 3.39610579E+01 4 C6H13OOC TH0604C 6H 13O 2 G 300.000 5000.000 1390.00 1 2.28565316E+01 2.98920584E-02-1.03242626E-05 1.61318179E-09-9.40058456E-14 2 -2.53586062E+04-8.96967178E+01 5.29761427E-01 8.23114543E-02-5.89580644E-05 3 2.29139270E-08-3.78433641E-12-1.74761018E+04 3.03786084E+01 4 C6H13OC TH0604C 6H 13O 1 G 300.000 5000.000 1396.00 1 2.10592377E+01 2.87948208E-02-9.83594377E-06 1.52559177E-09-8.84480954E-14 2 -2.47457660E+04-8.34139929E+01-7.81108002E-01 7.97821540E-02-5.57977603E-05 3 2.06149151E-08-3.16910893E-12-1.71167996E+04 3.39610579E+01 4 C6H12OOHA TH0604C 6H 13O 2 G 300.000 5000.000 1381.00 1 2.40739719E+01 2.79849486E-02-9.57835055E-06 1.48845231E-09-8.64346527E-14 2 -1.85106635E+04-9.34827467E+01 1.45367352E+00 7.63732086E-02-4.75423931E-05 3 1.43646027E-08-1.65726608E-12-1.02147794E+04 2.95763587E+01 4 C6H12OOHB TH0604C 6H 13O 2 G 300.000 5000.000 1381.00 1 2.40739719E+01 2.79849486E-02-9.57835055E-06 1.48845231E-09-8.64346527E-14 2 -1.85106635E+04-9.34827467E+01 1.45367352E+00 7.63732086E-02-4.75423931E-05 3 1.43646027E-08-1.65726608E-12-1.02147794E+04 2.95763587E+01 4 C6H12OOHC TH0604C 6H 13O 2 G 300.000 5000.000 1381.00 1 2.40739719E+01 2.79849486E-02-9.57835055E-06 1.48845231E-09-8.64346527E-14 2 -1.85106635E+04-9.34827467E+01 1.45367352E+00 7.63732086E-02-4.75423931E-05 3 1.43646027E-08-1.65726608E-12-1.02147794E+04 2.95763587E+01 4 C6H13OOHA TH0604C 6H 14O 2 G 300.000 5000.000 1388.00 1 2.45686414E+01 3.07357822E-02-1.06561902E-05 1.66943305E-09-9.74665656E-14 2 -4.22346429E+04-9.95534074E+01 4.17478574E-01 8.52383126E-02-5.81481055E-05 3 2.08535839E-08-3.14261869E-12-3.35451009E+04 3.10191551E+01 4 C5H11OOC TH0604C 5H 11O 2 G 300.000 5000.000 1389.00 1 1.96647493E+01 2.53951293E-02-8.77491690E-06 1.37147787E-09-7.99359492E-14 2 -2.12424575E+04-7.39519032E+01 7.17336186E-01 7.03219411E-02-5.11119593E-05 3 2.02733452E-08-3.41880067E-12-1.45819314E+04 2.78180082E+01 4 C5H11OC TH0604C 5H 11O 1 G 300.000 5000.000 1396.00 1 1.78169964E+01 2.44552904E-02-8.36545337E-06 1.29869303E-09-7.53393461E-14 2 -2.06365537E+04-6.74457461E+01-5.28574218E-01 6.74368778E-02-4.73943482E-05 3 1.76864024E-08-2.75583348E-12-1.42317644E+04 3.11128942E+01 4 C5H10OOHA TH0604C 5H 11O 2 G 300.000 5000.000 1378.00 1 2.09650771E+01 2.34014296E-02-7.99757739E-06 1.24183218E-09-7.20826352E-14 2 -1.44375315E+04-7.82309846E+01 1.68579857E+00 6.41257256E-02-3.91814275E-05 3 1.13516269E-08-1.20309076E-12-7.32628043E+03 2.68178707E+01 4 C5H10OOHB TH0604C 5H 11O 2 G 300.000 5000.000 1378.00 1 2.09650771E+01 2.34014296E-02-7.99757739E-06 1.24183218E-09-7.20826352E-14 2 -1.44375315E+04-7.82309846E+01 1.68579857E+00 6.41257256E-02-3.91814275E-05 3 1.13516269E-08-1.20309076E-12-7.32628043E+03 2.68178707E+01 4 C5H10OOHC TH0604C 5H 11O 2 G 300.000 5000.000 1378.00 1 2.09650771E+01 2.34014296E-02-7.99757739E-06 1.24183218E-09-7.20826352E-14 2 -1.44375315E+04-7.82309846E+01 1.68579857E+00 6.41257256E-02-3.91814275E-05 3 1.13516269E-08-1.20309076E-12-7.32628043E+03 2.68178707E+01 4 C5H11OOHA TH0604C 5H 12O 2 G 300.000 5000.000 1387.00 1 2.14142612E+01 2.62142204E-02-9.10002476E-06 1.42684718E-09-8.33529504E-14 2 -3.81383782E+04-8.40356374E+01 5.86178302E-01 7.32982478E-02-5.02742260E-05 3 1.81529105E-08-2.75778608E-12-3.06476365E+04 2.85506124E+01 4 C3H6OOHAB TH0604C 3H 7O 2 G 300.000 5000.000 1369.00 1 1.45685177E+01 1.45490241E-02-4.97716174E-06 7.73750919E-10-4.49619482E-14 2 -6.23137721E+03-4.67412135E+01 2.24236573E+00 3.92955858E-02-2.21288553E-05 3 5.26014435E-09-3.06200236E-13-1.56589844E+03 2.08631528E+01 4 C3H6OOHAC TH0604C 3H 7O 2 G 300.000 5000.000 1384.00 1 1.46918203E+01 1.49853532E-02-5.23627417E-06 8.24659850E-10-4.83237279E-14 2 -4.87389434E+03-4.78999936E+01 1.91560524E+00 4.38618067E-02-3.05316473E-05 3 1.11478012E-08-1.71184164E-12-2.74204887E+02 2.11717007E+01 4 NC3H7OOH TH0604C 3H 8O 2 G 300.000 5000.000 1385.00 1 1.50925855E+01 1.71616263E-02-5.97996934E-06 9.40010641E-10-5.50103790E-14 2 -2.99356534E+04-5.29089987E+01 1.16137314E+00 4.83549754E-02-3.29493668E-05 3 1.17700245E-08-1.77012600E-12-2.48896526E+04 2.25125820E+01 4 C4H8OOHAB TH0604C 4H 9O 2 G 300.000 5000.000 1375.00 1 1.77351593E+01 1.90196955E-02-6.50558830E-06 1.01086022E-09-5.87078346E-14 2 -1.03198173E+04-6.23047578E+01 1.96296373E+00 5.17291998E-02-3.07123018E-05 3 8.35822581E-09-7.68696618E-13-4.44557057E+03 2.38434611E+01 4 C4H8OOHAC TH0604C 4H 9O 2 G 300.000 5000.000 1375.00 1 1.77351593E+01 1.90196955E-02-6.50558830E-06 1.01086022E-09-5.87078346E-14 2 -1.03198173E+04-6.23047578E+01 1.96296373E+00 5.17291998E-02-3.07123018E-05 3 8.35822581E-09-7.68696618E-13-4.44557057E+03 2.38434611E+01 4 C4H8OOHAD TH0604C 4H 9O 2 G 300.000 5000.000 1386.00 1 1.78713853E+01 1.95101683E-02-6.79892780E-06 1.06881026E-09-6.25505388E-14 2 -8.98304621E+03-6.35745772E+01 1.43734327E+00 5.72940609E-02-4.06946706E-05 3 1.52978273E-08-2.42168277E-12-3.12818280E+03 2.50486906E+01 4 NC4H9OOH TH0604C 4H 10O 2 G 300.000 5000.000 1387.00 1 1.82762981E+01 2.16835615E-02-7.54179822E-06 1.18405195E-09-6.92316963E-14 2 -3.40468233E+04-6.86115160E+01 6.15024180E-01 6.20760543E-02-4.35312928E-05 3 1.61751642E-08-2.53560541E-12-2.77317418E+04 2.67078659E+01 4 C7H13A TH0604C 7H 13 G 300.000 5000.000 1388.00 1 2.10681488E+01 2.94302294E-02-1.01984006E-05 1.59717082E-09-9.32254674E-14 2 -4.38919072E+03-8.82052505E+01-1.37431458E+00 7.90354414E-02-5.20965532E-05 3 1.78404382E-08-2.55198902E-12 3.78478847E+03 3.34902202E+01 4 C6H13D TH0604C 6H 13 G 300.000 5000.000 1385.00 1 1.82226637E+01 2.84902627E-02-9.69872199E-06 1.50117323E-09-8.69157893E-14 2 -7.58412901E+03-6.97717122E+01-3.89175452E-01 6.59479055E-02-3.61043944E-05 3 8.79330117E-09-6.27303001E-13-5.05693300E+02 3.23427054E+01 4 IC4H7A TH0604C 4H 7 G 300.000 5000.000 1386.00 1 1.20755413E+01 1.53838035E-02-5.34471115E-06 8.38457076E-10-4.89970916E-14 2 1.02789716E+04-4.16938641E+01 2.33005612E-01 4.23571985E-02-2.93968519E-05 3 1.09284827E-08-1.73005596E-12 1.45421013E+04 2.22900171E+01 4 C8H16OOHA TH0604C 8H 17O 2 G 300.000 5000.000 1390.00 1 3.25368255E+01 3.48211655E-02-1.18541730E-05 1.83585310E-09-1.06368337E-13 2 -3.11689384E+04-1.41576834E+02-1.98700573E+00 1.15745730E-01-8.37854040E-05 3 3.06803662E-08-4.51251053E-12-1.93113194E+04 4.35684442E+01 4 C8H16OOHB TH0604C 8H 17O 2 G 300.000 5000.000 1389.00 1 3.07397081E+01 3.73018969E-02-1.29049669E-05 2.01894554E-09-1.17762475E-13 2 -3.15068226E+04-1.31739068E+02 1.40546983E+00 1.01231452E-01-6.51104214E-05 3 2.10691417E-08-2.74891169E-12-2.08048230E+04 2.75272146E+01 4 C8H16OOHC TH0604C 8H 17O 2 G 300.000 5000.000 1394.00 1 3.23216289E+01 3.59040016E-02-1.24115096E-05 1.94081002E-09-1.13169938E-13 2 -2.97157513E+04-1.40909972E+02-1.94264844E+00 1.18855031E-01-9.04550352E-05 3 3.58650720E-08-5.83559908E-12-1.80794811E+04 4.21259073E+01 4 C8H17OOHA TH0604C 8H 18O 2 G 300.000 5000.000 1394.00 1 3.27506429E+01 3.80276685E-02-1.31310005E-05 2.05177340E-09-1.19577150E-13 2 -5.47837720E+04-1.46070842E+02-2.73413174E+00 1.23501994E-01-9.30623412E-05 3 3.65712411E-08-5.90579053E-12-4.26879405E+04 4.36408853E+01 4 C7H13B TH0604C 7H 13 G 300.000 5000.000 1396.00 1 2.26058410E+01 2.77383394E-02-9.53221699E-06 1.48480972E-09-8.63512957E-14 2 -4.56407218E+03-9.91382375E+01-3.87510891E+00 9.11860004E-02-6.79894558E-05 3 2.61194736E-08-4.08578594E-12 4.44229599E+03 4.24657120E+01 4 CH3CHCHO TH0604C 3H 5O 1 G 300.000 5000.000 1385.00 1 1.02660060E+01 1.17289168E-02-4.06258537E-06 6.36085068E-10-3.71224427E-14 2 -7.25946535E+03-2.91747741E+01 1.54095281E+00 3.03305614E-02-1.88888847E-05 3 5.91910155E-09-7.52841683E-13-4.01679050E+03 1.83741719E+01 4 C7H13C TH0604C 7H 13 G 300.000 5000.000 1385.00 1 2.01931560E+01 3.01994646E-02-1.04694245E-05 1.64005916E-09-9.57460702E-14 2 -6.61711270E+03-8.44437841E+01-7.51104411E-01 7.37006453E-02-4.38952813E-05 3 1.29691377E-08-1.53199271E-12 1.31175550E+03 3.01539992E+01 4 IC3H6VCHO TH0604C 4H 7O 1 G 300.000 5000.000 1385.00 1 1.35042249E+01 1.61686635E-02-5.58808205E-06 8.73620617E-10-5.09310728E-14 2 -1.32720801E+04-4.66423387E+01 2.11115116E+00 4.02900023E-02-2.46852326E-05 3 7.64414510E-09-9.66733303E-13-9.01044194E+03 1.55238127E+01 4 C8H16A TH0604C 8H 16 G 300.000 5000.000 1394.00 1 2.56741610E+01 3.41804395E-02-1.16001939E-05 1.79192348E-09-1.03610666E-13 2 -2.82086487E+04-1.13920739E+02-2.78851863E+00 1.00785777E-01-7.11430480E-05 3 2.60137918E-08-3.88876055E-12-1.83634445E+04 3.88542442E+01 4 C8H16OOHD TH0604C 8H 17O 2 G 300.000 5000.000 1395.00 1 3.29642834E+01 3.54528218E-02-1.22763166E-05 1.92179615E-09-1.12146066E-13 2 -3.21060047E+04-1.45510628E+02-3.22291546E+00 1.26638844E-01-1.02432626E-04 3 4.32601240E-08-7.45097857E-12-2.01505706E+04 4.65678608E+01 4 C8H16OOHE TH0604C 8H 17O 2 G 300.000 5000.000 1390.00 1 3.17623279E+01 3.65016868E-02-1.26448765E-05 1.98007338E-09-1.15570999E-13 2 -3.40777527E+04-1.39683174E+02 4.51080929E-01 1.07138216E-01-7.31846592E-05 3 2.55295734E-08-3.63819439E-12-2.29198762E+04 2.94236863E+01 4 C8H16OOHF TH0604C 8H 17O 2 G 300.000 5000.000 1395.00 1 3.29642834E+01 3.54528218E-02-1.22763166E-05 1.92179615E-09-1.12146066E-13 2 -3.21060047E+04-1.46610031E+02-3.22291546E+00 1.26638844E-01-1.02432626E-04 3 4.32601240E-08-7.45097857E-12-2.01505706E+04 4.54684584E+01 4 C8H17OOHB TH0604C 8H 18O 2 G 300.000 5000.000 1395.00 1 3.33786590E+01 3.76091799E-02-1.30114163E-05 2.03563516E-09-1.18738112E-13 2 -5.71706588E+04-1.51690420E+02-3.94285031E+00 1.31014400E-01-1.04685507E-04 3 4.37791373E-08-7.48600810E-12-4.47722798E+04 4.66425335E+01 4 C4H9CHOB TH0604C 5H 10O 1 G 300.000 5000.000 1396.00 1 1.84055029E+01 2.15293030E-02-7.38712481E-06 1.14952962E-09-6.68075819E-14 2 -3.84097844E+04-7.49900674E+01-1.75941263E+00 6.88907544E-02-4.97421104E-05 3 1.83093534E-08-2.72458655E-12-3.14738886E+04 3.31480367E+01 4 IC3H7CHO TH0604C 4H 8O 1 G 300.000 5000.000 1392.00 1 1.36613856E+01 1.84824914E-02-6.36422166E-06 9.92500791E-10-5.77620168E-14 2 -3.26693794E+04-4.72471679E+01-9.55907716E-02 4.82168838E-02-3.02557470E-05 3 9.46599067E-09-1.17488836E-12-2.76328254E+04 2.75195242E+01 4 C8H16B TH0604C 8H 16 G 300.000 5000.000 1397.00 1 2.60132776E+01 3.39482112E-02-1.15306026E-05 1.78201502E-09-1.03068004E-13 2 -2.73175146E+04-1.15361640E+02-3.27162628E+00 1.04193530E-01-7.63854364E-05 3 2.91905226E-08-4.56718649E-12-1.73598137E+04 4.12168511E+01 4 C8H16OOHG TH0604C 8H 17O 2 G 300.000 5000.000 1392.00 1 3.31153324E+01 3.44676399E-02-1.17591842E-05 1.82356398E-09-1.05747234E-13 2 -3.46911963E+04-1.47303165E+02-2.12267659E+00 1.19614980E-01-9.08054506E-05 3 3.53442846E-08-5.57502750E-12-2.28116390E+04 4.08204891E+01 4 C8H16OOHH TH0604C 8H 17O 2 G 300.000 5000.000 1395.00 1 3.29956252E+01 3.54056454E-02-1.22553760E-05 1.91803174E-09-1.11906511E-13 2 -3.32787739E+04-1.46078257E+02-1.96595282E+00 1.22165147E-01-9.65365524E-05 3 3.98864885E-08-6.74701069E-12-2.15955445E+04 3.99675045E+01 4 C8H16OOHI TH0604C 8H 17O 2 G 300.000 5000.000 1395.00 1 3.29956252E+01 3.54056454E-02-1.22553760E-05 1.91803174E-09-1.11906511E-13 2 -3.32787739E+04-1.47177659E+02-1.96595282E+00 1.22165147E-01-9.65365524E-05 3 3.98864885E-08-6.74701069E-12-2.15955445E+04 3.88681022E+01 4 C8H17OOHC TH0604C 8H 18O 2 G 300.000 5000.000 1395.00 1 3.34082090E+01 3.75570897E-02-1.29873557E-05 2.03123530E-09-1.18455550E-13 2 -5.83409541E+04-1.52246724E+02-2.72383072E+00 1.26681453E-01-9.89798526E-05 3 4.05111300E-08-6.80285939E-12-4.62095107E+04 4.02239682E+01 4 C6H14COA TH0604C 7H 14O 1 G 300.000 5000.000 1390.00 1 2.43345314E+01 3.06900513E-02-1.04968561E-05 1.62996525E-09-9.45889294E-14 2 -5.07269017E+04-1.04302287E+02-1.45198568E+00 9.05008039E-02-6.37060792E-05 3 2.33041998E-08-3.51105838E-12-4.17125898E+04 3.43676003E+01 4 CH3COCH3 TH0604C 3H 6O 1 G 300.000 5000.000 1376.00 1 9.87538872E+00 1.46072954E-02-5.05555043E-06 7.91118164E-10-4.61520710E-14 2 -3.10829596E+04-2.83504590E+01 1.42416986E+00 2.87325500E-02-1.12436046E-05 3 2.24531793E-10 5.69587175E-13-2.75520860E+04 1.90879683E+01 4 C6H13E TH0604C 6H 13 G 300.000 5000.000 1398.00 1 2.02531261E+01 2.67204132E-02-9.07793640E-06 1.40318426E-09-8.11656132E-14 2 -8.26248002E+03-8.47544213E+01-2.41759995E+00 8.02861319E-02-5.74710525E-05 3 2.12943521E-08-3.21806093E-12-4.83578410E+02 3.67296109E+01 4 C8H16OOHJ TH0604C 8H 17O 2 G 300.000 5000.000 1389.00 1 3.07397081E+01 3.73018969E-02-1.29049669E-05 2.01894554E-09-1.17762475E-13 2 -3.15068226E+04-1.32144428E+02 1.40546983E+00 1.01231452E-01-6.51104214E-05 3 2.10691417E-08-2.74891169E-12-2.08048230E+04 2.71218551E+01 4 C8H16OOHK TH0604C 8H 17O 2 G 300.000 5000.000 1390.00 1 3.25368255E+01 3.48211655E-02-1.18541730E-05 1.83585310E-09-1.06368337E-13 2 -3.11689384E+04-1.42675034E+02-1.98700573E+00 1.15745730E-01-8.37854040E-05 3 3.06803662E-08-4.51251053E-12-1.93113194E+04 4.24702447E+01 4 C8H16OOHL TH0604C 8H 17O 2 G 300.000 5000.000 1394.00 1 3.23216289E+01 3.59040016E-02-1.24115096E-05 1.94081002E-09-1.13169938E-13 2 -2.97157513E+04-1.42008172E+02-1.94264844E+00 1.18855031E-01-9.04550352E-05 3 3.58650720E-08-5.83559908E-12-1.80794811E+04 4.10277078E+01 4 C8H17OOHD TH0604C 8H 18O 2 G 300.000 5000.000 1394.00 1 3.27506429E+01 3.80276685E-02-1.31310005E-05 2.05177340E-09-1.19577150E-13 2 -5.47837720E+04-1.47169041E+02-2.73413174E+00 1.23501994E-01-9.30623412E-05 3 3.65712411E-08-5.90579053E-12-4.26879405E+04 4.25426858E+01 4 C7H15B TH0604C 7H 15 G 300.000 5000.000 1390.00 1 2.33660257E+01 3.07323808E-02-1.03509172E-05 1.59138760E-09-9.17316078E-14 2 -1.37689470E+04-9.96202047E+01-2.19690982E+00 8.73165365E-02-5.63776657E-05 3 1.77704982E-08-2.13075968E-12-4.67929444E+03 3.86117180E+01 4 C7H14OOHP TH0604C 7H 15O 2 G 300.000 5000.000 1387.00 1 2.84364096E+01 3.13784887E-02-1.07246484E-05 1.66503950E-09-9.66279470E-14 2 -2.86478640E+04-1.19978655E+02-4.53587002E-01 9.86822547E-02-7.06759244E-05 3 2.60226793E-08-3.91212988E-12-1.86129975E+04 3.52193670E+01 4 C7H14OOHQ TH0604C 7H 15O 2 G 300.000 5000.000 1385.00 1 2.68728510E+01 3.34853447E-02-1.16128259E-05 1.81963882E-09-1.06249208E-13 2 -2.90783870E+04-1.11455915E+02 2.66453997E+00 8.52515112E-02-5.33645407E-05 3 1.70814498E-08-2.26564060E-12-2.00632881E+04 2.04731289E+01 4 C7H14OOHR TH0604C 7H 15O 2 G 300.000 5000.000 1391.00 1 2.84115485E+01 3.21487289E-02-1.11456112E-05 1.74610494E-09-1.01944234E-13 2 -2.72673941E+04-1.20375153E+02-3.90746328E-01 1.01601564E-01-7.68558797E-05 3 3.07607725E-08-5.11183890E-12-1.73817274E+04 3.37101027E+01 4 C7H14OOHS TH0604C 7H 15O 2 G 300.000 5000.000 1391.00 1 2.84115485E+01 3.21487289E-02-1.11456112E-05 1.74610494E-09-1.01944234E-13 2 -2.72673941E+04-1.20375153E+02-3.90746328E-01 1.01601564E-01-7.68558797E-05 3 3.07607725E-08-5.11183890E-12-1.73817274E+04 3.37101027E+01 4 C7H15OOHE TH0604C 7H 16O 2 G 300.000 5000.000 1391.00 1 2.88236098E+01 3.43020655E-02-1.18785292E-05 1.85948197E-09-1.08504381E-13 2 -5.23308470E+04-1.25442129E+02-1.14643830E+00 1.06101885E-01-7.92670530E-05 3 3.13621785E-08-5.16204835E-12-4.19970783E+04 3.50570463E+01 4 C5H12COA TH0604C 6H 12O 1 G 300.000 5000.000 1385.00 1 1.96641676E+01 2.75898743E-02-9.45810666E-06 1.47077142E-09-8.54311240E-14 2 -4.46880240E+04-7.70279457E+01 2.19458438E-01 6.95557898E-02-4.35562504E-05 3 1.39696945E-08-1.84550078E-12-3.75142592E+04 2.87559334E+01 4 C4H8OOHTI TH0604C 4H 9O 2 G 300.000 5000.000 1389.00 1 1.87581303E+01 1.87435769E-02-6.53155139E-06 1.02677136E-09-6.00905750E-14 2 -1.37611403E+04-7.13285581E+01 8.73615590E-01 6.26355965E-02-4.91094582E-05 3 2.03862010E-08-3.50291665E-12-7.68189117E+03 2.41075523E+01 4 TC4H9OOH TH0604C 4H 10O 2 G 300.000 5000.000 1390.00 1 1.91622482E+01 2.09156295E-02-7.27352020E-06 1.14182714E-09-6.67590978E-14 2 -3.88244200E+04-7.74552388E+01 1.16800079E-01 6.71374744E-02-5.15344068E-05 3 2.10099739E-08-3.56109301E-12-3.22968950E+04 2.43626641E+01 4 C4H8OOHIT TH0604C 4H 9O 2 G 300.000 5000.000 1375.00 1 1.65821214E+01 2.06105532E-02-7.17962527E-06 1.12834534E-09-6.60213701E-14 2 -1.20302610E+04-5.74702392E+01 4.16193696E+00 4.21648073E-02-1.82862979E-05 3 1.91095568E-09 4.22754849E-13-6.88348522E+03 1.20278483E+01 4 C4H8OOHII TH0604C 4H 9O 2 G 300.000 5000.000 1388.00 1 1.80347359E+01 1.93557070E-02-6.74235616E-06 1.05965272E-09-6.20045935E-14 2 -1.01913316E+04-6.59094716E+01 8.94267391E-01 5.93454928E-02-4.31156479E-05 3 1.64851510E-08-2.63204282E-12-4.16537021E+03 2.62792196E+01 4 IC4H9OOH TH0604C 4H 10O 2 G 300.000 5000.000 1388.00 1 1.84342809E+01 2.15244801E-02-7.48162371E-06 1.17412458E-09-6.86325916E-14 2 -3.52483029E+04-7.09024066E+01 2.72996135E-01 6.32597714E-02-4.46772856E-05 3 1.65764549E-08-2.57289863E-12-2.88000972E+04 2.70015480E+01 4 C5H10OOHD TH0604C 5H 11O 2 G 300.000 5000.000 1394.00 1 2.25994803E+01 2.26400802E-02-7.86388484E-06 1.23364288E-09-7.20958396E-14 2 -1.61949136E+04-9.15049445E+01-5.85969245E-01 7.94832176E-02-6.21797991E-05 3 2.52453763E-08-4.18991384E-12-8.39213280E+03 3.20969621E+01 4 C5H11OOHB TH0604C 5H 12O 2 G 300.000 5000.000 1394.00 1 2.30116347E+01 2.47953688E-02-8.59795094E-06 1.34725056E-09-7.86715589E-14 2 -4.12591547E+04-9.76719953E+01-1.32854652E+00 8.39279182E-02-6.45130298E-05 3 2.58031170E-08-4.23152663E-12-3.30095280E+04 3.22844716E+01 4 C3H6OOHBA TH0604C 3H 7O 2 G 300.000 5000.000 1389.00 1 1.53012390E+01 1.44184429E-02-5.02956714E-06 7.91214208E-10-4.63279670E-14 2 -7.21350845E+03-5.22126772E+01 1.27089614E+00 4.87246258E-02-3.81049627E-05 3 1.57148617E-08-2.67932489E-12-2.43858560E+03 2.26901416E+01 4 IC3H7OOH TH0604C 3H 8O 2 G 300.000 5000.000 1389.00 1 1.57048536E+01 1.65930212E-02-5.77287679E-06 9.06528593E-10-5.30135549E-14 2 -3.22770604E+04-5.72391852E+01 5.22827676E-01 5.31922231E-02-4.04848303E-05 3 1.63152036E-08-2.73326296E-12-2.70550276E+04 2.40020314E+01 4 C7H13D TH0604C 7H 13 G 300.000 5000.000 1390.00 1 2.09146847E+01 2.92939584E-02-1.00929012E-05 1.57465190E-09-9.16707278E-14 2 -1.40338199E+03-8.49616435E+01-1.61311343E+00 7.90873285E-02-5.16839303E-05 3 1.72661680E-08-2.36013909E-12 6.74994062E+03 3.71094997E+01 4 C7H14CYOA TH0604C 7H 14O 1 G 300.000 5000.000 1394.00 1 2.35178350E+01 3.21683981E-02-1.10814877E-05 1.72861018E-09-1.00619540E-13 2 -3.29347655E+04-9.81376870E+01-3.67172651E+00 9.71388105E-02-7.15690742E-05 3 2.78529309E-08-4.49800777E-12-2.35741448E+04 4.74771572E+01 4 HOOC7H14OOA TH0604C 7H 15O 4 G 300.000 5000.000 1388.00 1 3.21336779E+01 3.39120602E-02-1.18112179E-05 1.85607600E-09-1.08596474E-13 2 -4.16539084E+04-1.31949217E+02 2.11153515E+00 1.05438306E-01-7.89667615E-05 3 3.14770286E-08-5.25074307E-12-3.12104185E+04 2.90589932E+01 4 C7H14CYOB TH0604C 7H 14O 1 G 300.000 5000.000 1395.00 1 2.26920108E+01 3.32526697E-02-1.14467148E-05 1.78474102E-09-1.03853503E-13 2 -3.37570567E+04-9.53288377E+01-5.50913317E+00 1.00187326E-01-7.30362333E-05 3 2.79598048E-08-4.42802422E-12-2.40247737E+04 5.58273571E+01 4 HOOC7H14OOB TH0604C 7H 15O 4 G 300.000 5000.000 1388.00 1 3.21336779E+01 3.39120602E-02-1.18112179E-05 1.85607600E-09-1.08596474E-13 2 -4.16539084E+04-1.31949217E+02 2.11153515E+00 1.05438306E-01-7.89667615E-05 3 3.14770286E-08-5.25074307E-12-3.12104185E+04 2.90589932E+01 4 C7H14CYOC TH0604C 7H 14O 1 G 300.000 5000.000 1397.00 1 2.20535342E+01 3.40547020E-02-1.16877283E-05 1.81871651E-09-1.05686445E-13 2 -4.37805034E+04-9.31626903E+01-6.56137521E+00 1.00697554E-01-7.10492369E-05 3 2.59159085E-08-3.86900363E-12-3.38285678E+04 6.05779034E+01 4 HOOC7H14OOC TH0604C 7H 15O 4 G 300.000 5000.000 1388.00 1 3.21336779E+01 3.39120602E-02-1.18112179E-05 1.85607600E-09-1.08596474E-13 2 -4.16539084E+04-1.31949217E+02 2.11153515E+00 1.05438306E-01-7.89667615E-05 3 3.14770286E-08-5.25074307E-12-3.12104185E+04 2.90589932E+01 4 C7H13E TH0604C 7H 13 G 300.000 5000.000 1387.00 1 2.04536334E+01 2.97107680E-02-1.02423052E-05 1.59856201E-09-9.30868734E-14 2 -2.75729171E+03-8.28355649E+01-1.13729234E+00 7.58045362E-02-4.68379860E-05 3 1.44634153E-08-1.78631790E-12 5.23693670E+03 3.47656749E+01 4 C5H10VCHOA TH0604C 6H 11O 1 G 300.000 5000.000 1389.00 1 1.97653505E+01 2.52353005E-02-8.70511254E-06 1.35919779E-09-7.91694914E-14 2 -1.95570706E+04-7.59217563E+01 9.76281909E-01 6.64268725E-02-4.28790381E-05 3 1.42090080E-08-1.94054652E-12-1.27010929E+04 2.60471816E+01 4 C7H14CYOD TH0604C 7H 14O 1 G 300.000 5000.000 1397.00 1 2.44661690E+01 3.13519109E-02-1.07984179E-05 1.68435844E-09-9.80427995E-14 2 -3.54694685E+04-1.04532486E+02-4.35088144E+00 1.01443588E-01-7.70728411E-05 3 3.06203858E-08-4.99461215E-12-2.57196054E+04 4.92812205E+01 4 HOOC7H14OOD TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 C7H14CYOE TH0604C 7H 14O 1 G 300.000 5000.000 1399.00 1 2.32698632E+01 3.25568819E-02-1.11616656E-05 1.73558159E-09-1.00803136E-13 2 -3.60322994E+04-9.93251952E+01-5.39002746E+00 1.01832890E-01-7.59888352E-05 3 2.96448598E-08-4.74659139E-12-2.63105264E+04 5.37719176E+01 4 HOOC7H14OOE TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 C7H14CYOF TH0604C 7H 14O 1 G 300.000 5000.000 1399.00 1 2.26704461E+01 3.34817277E-02-1.14792640E-05 1.78505220E-09-1.03680846E-13 2 -4.61278847E+04-9.75275783E+01-7.24691627E+00 1.05708468E-01-7.88305634E-05 3 3.06140172E-08-4.86673367E-12-3.59857638E+04 6.22929812E+01 4 HOOC7H14OOF TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 HOOC7H14OOG TH0604C 7H 15O 4 G 300.000 5000.000 1388.00 1 3.21336779E+01 3.39120602E-02-1.18112179E-05 1.85607600E-09-1.08596474E-13 2 -4.16539084E+04-1.31949217E+02 2.11153515E+00 1.05438306E-01-7.89667615E-05 3 3.14770286E-08-5.25074307E-12-3.12104185E+04 2.90589932E+01 4 C5H11COA TH0604C 6H 11O 1 G 300.000 5000.000 1383.00 1 1.94805842E+01 2.50394032E-02-8.54502111E-06 1.32490859E-09-7.68069777E-14 2 -2.07922424E+04-7.22115781E+01 2.14436099E+00 6.17901082E-02-3.74202668E-05 3 1.13301952E-08-1.36891880E-12-1.43451283E+04 2.23122255E+01 4 C4H8VCHOA TH0604C 5H 9O 1 G 300.000 5000.000 1388.00 1 1.65963124E+01 2.07218541E-02-7.15078551E-06 1.11679868E-09-6.50626957E-14 2 -1.54541508E+04-6.03166269E+01 1.16677723E+00 5.43879507E-02-3.48928406E-05 3 1.14560681E-08-1.54696933E-12-9.80662615E+03 2.34793830E+01 4 C7H14CYOG TH0604C 7H 14O 1 G 300.000 5000.000 1397.00 1 2.44661690E+01 3.13519109E-02-1.07984179E-05 1.68435844E-09-9.80427995E-14 2 -3.54694685E+04-1.04532486E+02-4.35088144E+00 1.01443588E-01-7.70728411E-05 3 3.06203858E-08-4.99461215E-12-2.57196054E+04 4.92812205E+01 4 HOOC7H14OOH TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 C7H14CYOH TH0604C 7H 14O 1 G 300.000 5000.000 1399.00 1 2.32698632E+01 3.25568819E-02-1.11616656E-05 1.73558159E-09-1.00803136E-13 2 -3.60322994E+04-9.93251952E+01-5.39002746E+00 1.01832890E-01-7.59888352E-05 3 2.96448598E-08-4.74659139E-12-2.63105264E+04 5.37719176E+01 4 HOOC7H14OOI TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 HOOC7H14OOJ TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 HOOC7H14OOK TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 HOOC7H14OOL TH0604C 7H 15O 4 G 300.000 5000.000 1388.00 1 3.21336779E+01 3.39120602E-02-1.18112179E-05 1.85607600E-09-1.08596474E-13 2 -4.16539084E+04-1.31949217E+02 2.11153515E+00 1.05438306E-01-7.89667615E-05 3 3.14770286E-08-5.25074307E-12-3.12104185E+04 2.90589932E+01 4 C4H9COA TH0604C 5H 9O 1 G 300.000 5000.000 1379.00 1 1.64012943E+01 2.04003752E-02-6.93873682E-06 1.07367226E-09-6.21614279E-14 2 -1.67278682E+04-5.71188765E+01 2.36413323E+00 4.95786327E-02-2.90721987E-05 3 8.29294303E-09-9.03229011E-13-1.14543903E+04 1.96153510E+01 4 C2H5CO TH0604C 3H 5O 1 G 300.000 5000.000 1369.00 1 1.00391192E+01 1.14984982E-02-3.89750291E-06 6.02006502E-10-3.48201869E-14 2 -8.53634345E+03-2.58251450E+01 2.93734837E+00 2.46486636E-02-1.18206365E-05 3 2.05018980E-09 3.14655573E-14-5.69601175E+03 1.35879610E+01 4 HOOC7H14OOM TH0604C 7H 15O 4 G 300.000 5000.000 1388.00 1 3.21336779E+01 3.39120602E-02-1.18112179E-05 1.85607600E-09-1.08596474E-13 2 -4.16539084E+04-1.31949217E+02 2.11153515E+00 1.05438306E-01-7.89667615E-05 3 3.14770286E-08-5.25074307E-12-3.12104185E+04 2.90589932E+01 4 HOOC7H14OON TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 HOOC7H14OOO TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.28360162E+01 3.32763432E-02-1.15831469E-05 1.81955309E-09-1.06432285E-13 2 -4.40287923E+04-1.36795390E+02 1.41185977E+00 1.10703712E-01-8.70872996E-05 3 3.63452156E-08-6.27852573E-12-3.33720367E+04 3.07923596E+01 4 NC3H7CO TH0604C 4H 7O 1 G 300.000 5000.000 1376.00 1 1.32200802E+01 1.59387648E-02-5.41188886E-06 8.36590349E-10-4.84066041E-14 2 -1.26297332E+04-4.14643346E+01 2.63806807E+00 3.71756442E-02-2.05472824E-05 3 5.23112333E-09-4.47812545E-13-8.57400052E+03 1.66593565E+01 4 C3H6VCHO TH0604C 4H 7O 1 G 300.000 5000.000 1387.00 1 1.34321309E+01 1.62230345E-02-5.60553841E-06 8.76227972E-10-5.10787088E-14 2 -1.13568046E+04-4.47497595E+01 1.35454884E+00 4.23563385E-02-2.68846492E-05 3 8.68178561E-09-1.14820933E-12-6.91182676E+03 2.09241243E+01 4 C6H12B TH0604C 6H 12 G 300.000 5000.000 1392.00 1 1.74399523E+01 2.71957082E-02-9.28432916E-06 1.43951709E-09-8.34382444E-14 2 -1.55279859E+04-6.72316027E+01-1.75963134E+00 7.02936784E-02-4.62170028E-05 3 1.59011841E-08-2.27705381E-12-8.63289893E+03 3.65905709E+01 4 C6H12C TH0604C 6H 12 G 300.000 5000.000 1390.00 1 1.73684839E+01 2.71528733E-02-9.24787667E-06 1.43166491E-09-8.28964946E-14 2 -1.55530113E+04-6.62200403E+01-8.32746957E-01 6.64340741E-02-4.08961170E-05 3 1.27697544E-08-1.61025492E-12-8.86544330E+03 3.27517374E+01 4 C6H12OOHD TH0604C 6H 13O 2 G 300.000 5000.000 1388.00 1 2.42917990E+01 2.81256421E-02-9.69205011E-06 1.51245430E-09-8.80688565E-14 2 -2.07258968E+04-9.56558719E+01 1.05981127E+00 8.03546841E-02-5.43052735E-05 3 1.88231703E-08-2.67516630E-12-1.24216990E+04 2.98933848E+01 4 C6H12OOHE TH0604C 6H 13O 2 G 300.000 5000.000 1388.00 1 2.42917990E+01 2.81256421E-02-9.69205011E-06 1.51245430E-09-8.80688565E-14 2 -2.07258968E+04-9.56558719E+01 1.05981127E+00 8.03546841E-02-5.43052735E-05 3 1.88231703E-08-2.67516630E-12-1.24216990E+04 2.98933848E+01 4 C6H12OOHF TH0604C 6H 13O 2 G 300.000 5000.000 1390.00 1 2.49405252E+01 2.78924795E-02-9.68008483E-06 1.51756915E-09-8.86445424E-14 2 -1.95941202E+04-9.98388633E+01 3.34593595E-01 8.64632439E-02-6.42646813E-05 3 2.52581344E-08-4.13437809E-12-1.10670614E+04 3.20767899E+01 4 C6H12OOHG TH0604C 6H 13O 2 G 300.000 5000.000 1388.00 1 2.42917990E+01 2.81256421E-02-9.69205011E-06 1.51245430E-09-8.80688565E-14 2 -2.07258968E+04-9.56558719E+01 1.05981127E+00 8.03546841E-02-5.43052735E-05 3 1.88231703E-08-2.67516630E-12-1.24216990E+04 2.98933848E+01 4 C6H12OOHH TH0604C 6H 13O 2 G 300.000 5000.000 1390.00 1 2.49405252E+01 2.78924795E-02-9.68008483E-06 1.51756915E-09-8.86445424E-14 2 -1.95941202E+04-9.98388633E+01 3.34593595E-01 8.64632439E-02-6.42646813E-05 3 2.52581344E-08-4.13437809E-12-1.10670614E+04 3.20767899E+01 4 C6H13OOHB TH0604C 6H 14O 2 G 300.000 5000.000 1390.00 1 2.53688862E+01 3.00478261E-02-1.04172640E-05 1.63198764E-09-9.52807053E-14 2 -4.46712953E+04-1.05016227E+02-4.43299940E-01 9.10281994E-02-6.67196498E-05 3 2.58755546E-08-4.18793012E-12-3.56783087E+04 3.35327699E+01 4 C6H12OOHI TH0604C 6H 13O 2 G 300.000 5000.000 1388.00 1 2.42917990E+01 2.81256421E-02-9.69205011E-06 1.51245430E-09-8.80688565E-14 2 -2.07258968E+04-9.56558719E+01 1.05981127E+00 8.03546841E-02-5.43052735E-05 3 1.88231703E-08-2.67516630E-12-1.24216990E+04 2.98933848E+01 4 C6H12OOHJ TH0604C 6H 13O 2 G 300.000 5000.000 1388.00 1 2.42917990E+01 2.81256421E-02-9.69205011E-06 1.51245430E-09-8.80688565E-14 2 -2.07258968E+04-9.56558719E+01 1.05981127E+00 8.03546841E-02-5.43052735E-05 3 1.88231703E-08-2.67516630E-12-1.24216990E+04 2.98933848E+01 4 C6H12OOHK TH0604C 6H 13O 2 G 300.000 5000.000 1388.00 1 2.42917990E+01 2.81256421E-02-9.69205011E-06 1.51245430E-09-8.80688565E-14 2 -2.07258968E+04-9.56558719E+01 1.05981127E+00 8.03546841E-02-5.43052735E-05 3 1.88231703E-08-2.67516630E-12-1.24216990E+04 2.98933848E+01 4 C6H12OOHL TH0604C 6H 13O 2 G 300.000 5000.000 1390.00 1 2.49405252E+01 2.78924795E-02-9.68008483E-06 1.51756915E-09-8.86445424E-14 2 -1.95941202E+04-9.98388633E+01 3.34593595E-01 8.64632439E-02-6.42646813E-05 3 2.52581344E-08-4.13437809E-12-1.10670614E+04 3.20767899E+01 4 C6H13OOHC TH0604C 6H 14O 2 G 300.000 5000.000 1390.00 1 2.53688862E+01 3.00478261E-02-1.04172640E-05 1.63198764E-09-9.52807053E-14 2 -4.46712953E+04-1.05016227E+02-4.43299940E-01 9.10281994E-02-6.67196498E-05 3 2.58755546E-08-4.18793012E-12-3.56783087E+04 3.35327699E+01 4 C6H12CYOA TH0604C 6H 12O 1 G 300.000 5000.000 1394.00 1 2.03993533E+01 2.76439546E-02-9.53039676E-06 1.48744527E-09-8.66140106E-14 2 -2.88596442E+04-8.28417665E+01-3.56246496E+00 8.55235442E-02-6.41582453E-05 3 2.54389942E-08-4.17794820E-12-2.06710430E+04 4.52686065E+01 4 HOOC6H12OOA TH0604C 6H 13O 4 G 300.000 5000.000 1388.00 1 2.87919669E+01 2.95092408E-02-1.02867679E-05 1.61745281E-09-9.46728302E-14 2 -3.74715759E+04-1.15325726E+02 2.18753111E+00 9.38165014E-02-7.18803602E-05 3 2.94050825E-08-5.02412230E-12-2.82936706E+04 2.70523060E+01 4 C6H12CYOB TH0604C 6H 12O 1 G 300.000 5000.000 1395.00 1 1.95587849E+01 2.87400809E-02-9.89954511E-06 1.54416915E-09-8.98816859E-14 2 -2.96794927E+04-7.99559101E+01-5.45090268E+00 8.87157654E-02-6.58027874E-05 3 2.56444612E-08-4.12811535E-12-2.11114625E+04 5.38737680E+01 4 HOOC6H12OOB TH0604C 6H 13O 4 G 300.000 5000.000 1388.00 1 2.87919669E+01 2.95092408E-02-1.02867679E-05 1.61745281E-09-9.46728302E-14 2 -3.74715759E+04-1.15325726E+02 2.18753111E+00 9.38165014E-02-7.18803602E-05 3 2.94050825E-08-5.02412230E-12-2.82936706E+04 2.70523060E+01 4 C6H12CYOC TH0604C 6H 12O 1 G 300.000 5000.000 1398.00 1 1.88871370E+01 2.95542643E-02-1.01411770E-05 1.57786675E-09-9.16832265E-14 2 -3.96823555E+04-7.75828589E+01-6.38982449E+00 8.87270573E-02-6.31339732E-05 3 2.31998223E-08-3.48311880E-12-3.09309365E+04 5.81004849E+01 4 HOOC6H12OOC TH0604C 6H 13O 4 G 300.000 5000.000 1388.00 1 2.87919669E+01 2.95092408E-02-1.02867679E-05 1.61745281E-09-9.46728302E-14 2 -3.74715759E+04-1.15325726E+02 2.18753111E+00 9.38165014E-02-7.18803602E-05 3 2.94050825E-08-5.02412230E-12-2.82936706E+04 2.70523060E+01 4 C5H10B TH0604C 5H 10 G 300.000 5000.000 1389.00 1 1.41105957E+01 2.28348880E-02-7.78623763E-06 1.20626449E-09-6.98787576E-14 2 -1.14335369E+04-5.01557856E+01-5.43469721E-01 5.39735129E-02-3.23688101E-05 3 9.78596268E-09-1.18801868E-12-5.98602576E+03 2.97247633E+01 4 C5H10OOHE TH0604C 5H 11O 2 G 300.000 5000.000 1387.00 1 2.11234379E+01 2.36300401E-02-8.14786848E-06 1.27204748E-09-7.40943802E-14 2 -1.66280214E+04-8.00656301E+01 1.25604793E+00 6.82877646E-02-4.62572109E-05 3 1.60308797E-08-2.27356566E-12-9.52937505E+03 2.72976011E+01 4 C5H10OOHF TH0604C 5H 11O 2 G 300.000 5000.000 1387.00 1 2.11234379E+01 2.36300401E-02-8.14786848E-06 1.27204748E-09-7.40943802E-14 2 -1.66280214E+04-8.00656301E+01 1.25604793E+00 6.82877646E-02-4.62572109E-05 3 1.60308797E-08-2.27356566E-12-9.52937505E+03 2.72976011E+01 4 C5H10OOHG TH0604C 5H 11O 2 G 300.000 5000.000 1390.00 1 2.17439098E+01 2.33960538E-02-8.13011403E-06 1.27568429E-09-7.45607315E-14 2 -1.54758621E+04-8.40630081E+01 5.13381421E-01 7.45206218E-02-5.65062508E-05 3 2.26776306E-08-3.78269769E-12-8.17289573E+03 2.95556669E+01 4 C5H10OOHH TH0604C 5H 11O 2 G 300.000 5000.000 1390.00 1 2.17439098E+01 2.33960538E-02-8.13011403E-06 1.27568429E-09-7.45607315E-14 2 -1.54758621E+04-8.40630081E+01 5.13381421E-01 7.45206218E-02-5.65062508E-05 3 2.26776306E-08-3.78269769E-12-8.17289573E+03 2.95556669E+01 4 C5H11OOHC TH0604C 5H 12O 2 G 300.000 5000.000 1390.00 1 2.21700479E+01 2.55560441E-02-8.86948882E-06 1.39050608E-09-8.12227874E-14 2 -4.05517059E+04-8.92295306E+01-2.72970284E-01 7.91197764E-02-5.90132400E-05 3 2.33296162E-08-3.84440051E-12-3.27815434E+04 3.10516646E+01 4 C5H10CYOA TH0604C 5H 10O 1 G 300.000 5000.000 1394.00 1 1.73098592E+01 2.31018159E-02-7.97477048E-06 1.24573865E-09-7.25837534E-14 2 -2.47938598E+04-6.77123911E+01-3.45430666E+00 7.39964380E-02-5.68914789E-05 3 2.31168782E-08-3.87873464E-12-1.77692268E+04 4.30444870E+01 4 HOOC5H10OOA TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.55600186E+01 2.50237604E-02-8.73636912E-06 1.37506452E-09-8.05420767E-14 2 -3.33315003E+04-9.93257147E+01 2.52345757E+00 8.12123222E-02-6.32364509E-05 3 2.63148520E-08-4.56524459E-12-2.54238182E+04 2.37980485E+01 4 C5H10CYOB TH0604C 5H 10O 1 G 300.000 5000.000 1396.00 1 1.64212867E+01 2.42188200E-02-8.34667551E-06 1.30242653E-09-7.58303624E-14 2 -2.55966444E+04-6.45527289E+01-5.40517034E+00 7.72737471E-02-5.85991671E-05 3 2.33342195E-08-3.82631346E-12-1.81942826E+04 5.19838569E+01 4 HOOC5H10OOB TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.55600186E+01 2.50237604E-02-8.73636912E-06 1.37506452E-09-8.05420767E-14 2 -3.33315003E+04-9.93257147E+01 2.52345757E+00 8.12123222E-02-6.32364509E-05 3 2.63148520E-08-4.56524459E-12-2.54238182E+04 2.37980485E+01 4 C5H10CYOC TH0604C 5H 10O 1 G 300.000 5000.000 1400.00 1 1.57225911E+01 2.50504809E-02-8.59309691E-06 1.33674074E-09-7.76624437E-14 2 -3.55843569E+04-6.20133734E+01-6.21329883E+00 7.67405355E-02-5.51972949E-05 3 2.04702737E-08-3.09413517E-12-2.80342402E+04 5.55974572E+01 4 HOOC5H10OOC TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.55600186E+01 2.50237604E-02-8.73636912E-06 1.37506452E-09-8.05420767E-14 2 -3.33315003E+04-9.93257147E+01 2.52345757E+00 8.12123222E-02-6.32364509E-05 3 2.63148520E-08-4.56524459E-12-2.54238182E+04 2.37980485E+01 4 C3H6CYOAB TH0604C 3H 6O 1 G 300.000 5000.000 1401.00 1 1.07568141E+01 1.40505537E-02-4.81191228E-06 7.47709207E-10-4.34067171E-14 2 -1.64447481E+04-3.51181312E+01-2.23725430E+00 4.59283120E-02-3.50707310E-05 3 1.39314309E-08-2.25711133E-12-1.20970017E+04 3.41059686E+01 4 HOOC3H6OOHAB TH0604C 3H 7O 4 G 300.000 5000.000 1386.00 1 1.91754552E+01 1.59820650E-02-5.61090263E-06 8.86447544E-10-5.20585912E-14 2 -2.51333662E+04-6.79043746E+01 2.65470506E+00 5.73893775E-02-4.70489874E-05 3 2.04261040E-08-3.65388741E-12-1.95729553E+04 2.00017641E+01 4 C3H6CYOAC TH0604C 3H 6O 1 G 300.000 5000.000 1397.00 1 9.50181334E+00 1.54546413E-02-5.27935512E-06 8.19090378E-10-4.75044610E-14 2 -1.49837258E+04-2.89899479E+01-3.51691105E+00 4.46703182E-02-2.97020177E-05 3 9.82466508E-09-1.27748560E-12-1.03762051E+04 4.12970914E+01 4 HOOC3H6OOHAC TH0604C 3H 7O 4 G 300.000 5000.000 1382.00 1 1.85876895E+01 1.65295290E-02-5.81075943E-06 9.18816297E-10-5.39915653E-14 2 -2.27989885E+04-6.37085159E+01 3.26449004E+00 5.27985200E-02-3.99541324E-05 3 1.61823806E-08-2.76184473E-12-1.74066260E+04 1.86197800E+01 4 C4H8CYOAB TH0604C 4H 8O 1 G 300.000 5000.000 1399.00 1 1.39189578E+01 1.85567761E-02-6.36092139E-06 9.88989350E-10-5.74368435E-14 2 -2.05434589E+04-5.06788146E+01-2.43171539E+00 5.79614844E-02-4.30553919E-05 3 1.66832662E-08-2.64997889E-12-1.49900423E+04 3.66980168E+01 4 HOOC4H8OOAB TH0604C 4H 9O 4 G 300.000 5000.000 1386.00 1 2.23383388E+01 2.05275162E-02-7.18187930E-06 1.13200420E-09-6.63710270E-14 2 -2.91965294E+04-8.33888508E+01 2.88966629E+00 6.84317853E-02-5.42779060E-05 3 2.30083846E-08-4.05565323E-12-2.25563294E+04 2.04116617E+01 4 C4H8CYOAC TH0604C 4H 8O 1 G 300.000 5000.000 1400.00 1 1.31552229E+01 1.96253732E-02-6.72898073E-06 1.04642334E-09-6.07816132E-14 2 -2.13908912E+04-4.82299252E+01-4.19969255E+00 6.09539345E-02-4.45265294E-05 3 1.68377922E-08-2.59966331E-12-1.54589294E+04 4.46691462E+01 4 HOOC4H8OOAC TH0604C 4H 9O 4 G 300.000 5000.000 1386.00 1 2.23383388E+01 2.05275162E-02-7.18187930E-06 1.13200420E-09-6.63710270E-14 2 -2.91965294E+04-8.33888508E+01 2.88966629E+00 6.84317853E-02-5.42779060E-05 3 2.30083846E-08-4.05565323E-12-2.25563294E+04 2.04116617E+01 4 C4H8CYOAD TH0604C 4H 8O 1 G 300.000 5000.000 1396.00 1 1.21314170E+01 2.07654083E-02-7.09126123E-06 1.09999341E-09-6.37879666E-14 2 -2.91955190E+04-4.31116358E+01-5.64895099E+00 6.09581016E-02-4.10491485E-05 3 1.38136118E-08-1.83822887E-12-2.29331785E+04 5.27778060E+01 4 HOOC4H8OOAD TH0604C 4H 9O 4 G 300.000 5000.000 1383.00 1 2.17193666E+01 2.11063843E-02-7.39380185E-06 1.16639691E-09-6.84279299E-14 2 -2.68930562E+04-7.91117009E+01 3.13277688E+00 6.45849343E-02-4.76348701E-05 3 1.88016784E-08-3.13691509E-12-2.03098388E+04 2.09167169E+01 4 CH3COCH2 TH0604C 3H 5O 1 G 300.000 5000.000 1383.00 1 1.04515545E+01 1.17024965E-02-4.08317770E-06 6.42447322E-10-3.76219676E-14 2 -9.72082247E+03-3.12704491E+01 1.04761059E+00 3.15274596E-02-1.95166732E-05 3 5.91158615E-09-7.02620250E-13-6.21239374E+03 2.00429274E+01 4 C6H13OOD TH0604C 6H 13O 2 G 300.000 5000.000 1391.00 1 2.30491113E+01 2.97244286E-02-1.02658187E-05 1.60401718E-09-9.34712470E-14 2 -2.65840394E+04-9.22154804E+01-1.95033412E-01 8.51770534E-02-6.25621838E-05 3 2.48250864E-08-4.15366299E-12-1.84861993E+04 3.24470580E+01 4 C6H13OD TH0604C 6H 13O 1 G 300.000 5000.000 1395.00 1 2.11456539E+01 2.89419599E-02-9.93481133E-06 1.54598163E-09-8.98342526E-14 2 -2.59812189E+04-8.54471267E+01-1.35996345E+00 8.20432369E-02-5.87146851E-05 3 2.23522418E-08-3.55597012E-12-1.81492596E+04 3.53492670E+01 4 C8H16CYOA TH0604C 8H 16O 1 G 300.000 5000.000 1403.00 1 2.76800611E+01 3.59320539E-02-1.23071765E-05 1.91267787E-09-1.11053419E-13 2 -4.21510461E+04-1.25988203E+02-7.79844612E+00 1.23575424E-01-9.58567841E-05 3 3.83523136E-08-6.21730189E-12-3.03800466E+04 6.27383961E+01 4 HOOC8H16OOA TH0604C 8H 17O 4 G 300.000 5000.000 1393.00 1 3.68921902E+01 3.70313467E-02-1.28759800E-05 2.02124832E-09-1.18176812E-13 2 -5.00657935E+04-1.61553396E+02-1.32886825E+00 1.32867168E-01-1.07401821E-04 3 4.53903634E-08-7.84223845E-12-3.73590684E+04 4.15437536E+01 4 C8H16CYOB TH0604C 8H 16O 1 G 300.000 5000.000 1401.00 1 2.74102751E+01 3.64079414E-02-1.24352561E-05 1.92917033E-09-1.11880134E-13 2 -5.35395403E+04-1.26468868E+02-9.54137326E+00 1.28017119E-01-1.00025125E-04 3 4.02164917E-08-6.53792648E-12-4.13276730E+04 6.99539409E+01 4 HOOC8H16OOB TH0604C 8H 17O 4 G 300.000 5000.000 1392.00 1 3.68252262E+01 3.71158490E-02-1.29107770E-05 2.02723013E-09-1.18546157E-13 2 -5.11987430E+04-1.61561170E+02-6.98149282E-01 1.31509240E-01-1.06698643E-04 3 4.55038906E-08-7.95140214E-12-3.87164425E+04 3.77841208E+01 4 C8H16CYOC TH0604C 8H 16O 1 G 300.000 5000.000 1400.00 1 2.73545688E+01 3.59658898E-02-1.22691582E-05 1.90187926E-09-1.10237477E-13 2 -3.98927055E+04-1.23212376E+02-7.58693780E+00 1.20474860E-01-9.05294009E-05 3 3.48589266E-08-5.42449413E-12-2.81470305E+04 6.32534261E+01 4 HOOC8H16OOC TH0604C 8H 17O 4 G 300.000 5000.000 1391.00 1 3.60894492E+01 3.77280941E-02-1.31193513E-05 2.05952950E-09-1.20416910E-13 2 -4.76216306E+04-1.56062553E+02-4.82761973E-01 1.27321114E-01-9.93510575E-05 3 4.07563468E-08-6.89247458E-12-3.52284441E+04 3.90609450E+01 4 CH3CHCO TH0604C 3H 4O 1 G 300.000 5000.000 1400.00 1 1.00220961E+01 9.57030633E-03-3.26261383E-06 5.05311902E-10-2.92647269E-14 2 -1.42488713E+04-2.77864197E+01 1.48077816E+00 3.22322595E-02-2.70415171E-05 3 1.20601481E-08-2.18597936E-12-1.15273690E+04 1.71679065E+01 4 IC2H6CCO TH0604C 4H 6O 1 G 300.000 5000.000 1397.00 1 1.32542570E+01 1.40151577E-02-4.78949291E-06 7.42994405E-10-4.30782016E-14 2 -2.00525625E+04-4.51700813E+01 2.28156598E+00 4.16949143E-02-3.24987766E-05 3 1.37184799E-08-2.40455556E-12-1.63937334E+04 1.31217484E+01 4 C8H15A TH0604C 8H 15 G 300.000 5000.000 1395.00 1 2.58135964E+01 3.22172538E-02-1.10737809E-05 1.72508927E-09-1.00328309E-13 2 -1.03829781E+04-1.15744553E+02-3.30770668E+00 1.01241720E-01-7.40258967E-05 3 2.80347700E-08-4.34755366E-12-3.76214679E+02 4.02900695E+01 4 HOOC8H16OOD TH0604C 8H 17O 4 G 300.000 5000.000 1393.00 1 3.68921902E+01 3.70313467E-02-1.28759800E-05 2.02124832E-09-1.18176812E-13 2 -5.00657935E+04-1.61553396E+02-1.32886825E+00 1.32867168E-01-1.07401821E-04 3 4.53903634E-08-7.84223845E-12-3.73590684E+04 4.15437536E+01 4 C8H16CYOD TH0604C 8H 16O 1 G 300.000 5000.000 1401.00 1 2.91406703E+01 3.43906387E-02-1.18014441E-05 1.83632971E-09-1.06709288E-13 2 -4.48948805E+04-1.34886113E+02-6.56295225E+00 1.26094207E-01-1.03700576E-04 3 4.42305878E-08-7.62704813E-12-3.33484403E+04 5.38811246E+01 4 HOOC8H16OOE TH0604C 8H 17O 4 G 300.000 5000.000 1393.00 1 3.75781972E+01 3.64520301E-02-1.26766221E-05 1.99015854E-09-1.16367036E-13 2 -5.36219971E+04-1.67859725E+02-1.49549345E+00 1.36769242E-01-1.14361384E-04 3 4.99186162E-08-8.85582710E-12-4.08519073E+04 3.89607911E+01 4 C8H16CYOE TH0604C 8H 16O 1 G 300.000 5000.000 1403.00 1 2.76800611E+01 3.59320539E-02-1.23071765E-05 1.91267787E-09-1.11053419E-13 2 -4.21510461E+04-1.27086402E+02-7.79844612E+00 1.23575424E-01-9.58567841E-05 3 3.83523136E-08-6.21730189E-12-3.03800466E+04 6.16401966E+01 4 HOOC8H16OOF TH0604C 8H 17O 4 G 300.000 5000.000 1393.00 1 3.68921902E+01 3.70313467E-02-1.28759800E-05 2.02124832E-09-1.18176812E-13 2 -5.00657935E+04-1.62652799E+02-1.32886825E+00 1.32867168E-01-1.07401821E-04 3 4.53903634E-08-7.84223845E-12-3.73590684E+04 4.04443512E+01 4 C4H9COB TH0604C 5H 9O 1 G 300.000 5000.000 1397.00 1 1.79867671E+01 1.94011750E-02-6.66707110E-06 1.03858292E-09-6.04056703E-14 2 -1.94467905E+04-7.10700978E+01-9.78651598E-01 6.40592311E-02-4.66411083E-05 3 1.72131743E-08-2.55636757E-12-1.29464790E+04 3.05757518E+01 4 IC3H7CO TH0604C 4H 7O 1 G 300.000 5000.000 1391.00 1 1.32617787E+01 1.63186377E-02-5.62777140E-06 8.78589085E-10-5.11716299E-14 2 -1.37122920E+04-4.34318224E+01 6.30174778E-01 4.36184033E-02-2.74807123E-05 3 8.55289636E-09-1.04332668E-12-9.09684154E+03 2.52040428E+01 4 HOOC8H16OOG TH0604C 8H 17O 4 G 300.000 5000.000 1393.00 1 3.75781972E+01 3.64520301E-02-1.26766221E-05 1.99015854E-09-1.16367036E-13 2 -5.36219971E+04-1.67859725E+02-1.49549345E+00 1.36769242E-01-1.14361384E-04 3 4.99186162E-08-8.85582710E-12-4.08519073E+04 3.89607911E+01 4 HOOC8H16OOH TH0604C 8H 17O 4 G 300.000 5000.000 1392.00 1 3.68252262E+01 3.71158490E-02-1.29107770E-05 2.02723013E-09-1.18546157E-13 2 -5.11987430E+04-1.61561170E+02-6.98149282E-01 1.31509240E-01-1.06698643E-04 3 4.55038906E-08-7.95140214E-12-3.87164425E+04 3.77841208E+01 4 C8H16CYOF TH0604C 8H 16O 1 G 300.000 5000.000 1400.00 1 2.86517642E+01 3.46386588E-02-1.18518776E-05 1.84069154E-09-1.06825812E-13 2 -4.25592158E+04-1.31150669E+02-5.76928170E+00 1.20571551E-01-9.50118972E-05 3 3.87873991E-08-6.42536826E-12-3.12073782E+04 5.16683952E+01 4 HOOC8H16OOI TH0604C 8H 17O 4 G 300.000 5000.000 1392.00 1 3.68252262E+01 3.71158490E-02-1.29107770E-05 2.02723013E-09-1.18546157E-13 2 -5.11987430E+04-1.62659369E+02-6.98149282E-01 1.31509240E-01-1.06698643E-04 3 4.55038906E-08-7.95140214E-12-3.87164425E+04 3.66859213E+01 4 C6H13VCOA TH0604C 7H 13O 1 G 300.000 5000.000 1392.00 1 2.49004427E+01 2.77956671E-02-9.52795114E-06 1.48178441E-09-8.60841135E-14 2 -2.93566776E+04-1.07850887E+02-1.87345001E+00 9.35338253E-02-7.23657022E-05 3 2.92387640E-08-4.83825463E-12-2.03671404E+04 3.48284776E+01 4 C6H13VCOB TH0604C 7H 13O 1 G 300.000 5000.000 1394.00 1 2.42679982E+01 2.86333840E-02-9.88040093E-06 1.54317611E-09-8.99095196E-14 2 -3.05478683E+04-1.04458208E+02-1.80946874E+00 9.01521048E-02-6.57659227E-05 3 2.48425015E-08-3.84914862E-12-2.15441753E+04 3.53937659E+01 4 C5H11COB TH0604C 6H 11O 1 G 300.000 5000.000 1389.00 1 2.14169316E+01 2.30733927E-02-7.80467801E-06 1.20355616E-09-6.95276868E-14 2 -2.40422184E+04-8.77478581E+01-7.75863273E-02 7.36179128E-02-5.30929178E-05 3 1.96150422E-08-2.93758490E-12-1.66572162E+04 2.74976015E+01 4 C6H13F TH0604C 6H 13 G 300.000 5000.000 1398.00 1 2.02531261E+01 2.67204132E-02-9.07793640E-06 1.40318426E-09-8.11656132E-14 2 -8.26248002E+03-8.36562219E+01-2.41759995E+00 8.02861319E-02-5.74710525E-05 3 2.12943521E-08-3.21806093E-12-4.83578410E+02 3.78278104E+01 4 C6H13OOE TH0604C 6H 13O 2 G 300.000 5000.000 1392.00 1 2.37159165E+01 2.91271826E-02-1.00538353E-05 1.57037759E-09-9.14925002E-14 2 -2.60822265E+04-9.82641963E+01-5.45551045E-01 8.70906865E-02-6.42943795E-05 3 2.52470545E-08-4.13607155E-12-1.76968979E+04 3.17263883E+01 4 C6H13OE TH0604C 6H 13O 1 G 300.000 5000.000 1398.00 1 2.22830087E+01 2.75873737E-02-9.38706480E-06 1.45253124E-09-8.40846623E-14 2 -2.56266839E+04-9.40878959E+01-2.56434128E+00 8.76193496E-02-6.52246637E-05 3 2.52134269E-08-3.97674454E-12-1.72317705E+04 3.85932535E+01 4 HOOC8H16OOJ TH0604C 8H 17O 4 G 300.000 5000.000 1392.00 1 3.68252262E+01 3.71158490E-02-1.29107770E-05 2.02723013E-09-1.18546157E-13 2 -5.11987430E+04-1.62659369E+02-6.98149282E-01 1.31509240E-01-1.06698643E-04 3 4.55038906E-08-7.95140214E-12-3.87164425E+04 3.66859213E+01 4 HOOC8H16OOK TH0604C 8H 17O 4 G 300.000 5000.000 1393.00 1 3.68921902E+01 3.70313467E-02-1.28759800E-05 2.02124832E-09-1.18176812E-13 2 -5.00657935E+04-1.62652799E+02-1.32886825E+00 1.32867168E-01-1.07401821E-04 3 4.53903634E-08-7.84223845E-12-3.73590684E+04 4.04443512E+01 4 C8H16CYOG TH0604C 8H 16O 1 G 300.000 5000.000 1400.00 1 2.73545688E+01 3.59658898E-02-1.22691582E-05 1.90187926E-09-1.10237477E-13 2 -3.98927055E+04-1.24310576E+02-7.58693780E+00 1.20474860E-01-9.05294009E-05 3 3.48589266E-08-5.42449413E-12-2.81470305E+04 6.21552266E+01 4 HOOC8H16OOL TH0604C 8H 17O 4 G 300.000 5000.000 1391.00 1 3.60894492E+01 3.77280941E-02-1.31193513E-05 2.05952950E-09-1.20416910E-13 2 -4.76216306E+04-1.57161955E+02-4.82761973E-01 1.27321114E-01-9.93510575E-05 3 4.07563468E-08-6.89247458E-12-3.52284441E+04 3.79615427E+01 4 C7H15OOF TH0604C 7H 15O 2 G 300.000 5000.000 1394.00 1 2.77266881E+01 3.29349413E-02-1.13672317E-05 1.77546563E-09-1.03439947E-13 2 -3.26564907E+04-1.19609260E+02-1.74034341E+00 1.05390438E-01-8.13656271E-05 3 3.32770965E-08-5.62394338E-12-2.26998615E+04 3.75057674E+01 4 C7H15OF TH0604C 7H 15O 1 G 300.000 5000.000 1401.00 1 2.60258589E+01 3.15334269E-02-1.07273088E-05 1.65955068E-09-9.60504331E-14 2 -3.20358792E+04-1.13759209E+02-3.30167558E+00 1.04177498E-01-8.03618953E-05 3 3.22776888E-08-5.27801090E-12-2.23077800E+04 4.22076827E+01 4 C7H14CYOI TH0604C 7H 14O 1 G 300.000 5000.000 1398.00 1 2.45319377E+01 3.11719404E-02-1.07081582E-05 1.66727743E-09-9.69253492E-14 2 -3.88728397E+04-1.07940958E+02-4.98083809E+00 1.05531485E-01-8.40520380E-05 3 3.51397260E-08-6.00158828E-12-2.91377043E+04 4.86846509E+01 4 HOOC7H14OOP TH0604C 7H 15O 4 G 300.000 5000.000 1391.00 1 3.29272184E+01 3.31950636E-02-1.15542244E-05 1.81494321E-09-1.06159916E-13 2 -4.75601364E+04-1.40612158E+02 1.84837364E-01 1.15899462E-01-9.44926577E-05 3 4.07597422E-08-7.22186369E-12-3.66586217E+04 3.32870652E+01 4 C7H14CYOJ TH0604C 7H 14O 1 G 300.000 5000.000 1398.00 1 2.39123943E+01 3.20651558E-02-1.10044739E-05 1.71237769E-09-9.95071664E-14 2 -4.09361301E+04-1.06704761E+02-5.99107644E+00 1.06384853E-01-8.30831408E-05 3 3.40227262E-08-5.70318304E-12-3.09798932E+04 5.23408763E+01 4 HOOC7H14OOQ TH0604C 7H 15O 4 G 300.000 5000.000 1390.00 1 3.29893761E+01 3.31883438E-02-1.15620478E-05 1.81721550E-09-1.06334572E-13 2 -4.87626117E+04-1.41407037E+02 7.77631016E-01 1.14526205E-01-9.33681865E-05 3 4.04448321E-08-7.21281537E-12-3.80057354E+04 2.97329121E+01 4 C7H14CYOK TH0604C 7H 14O 1 G 300.000 5000.000 1398.00 1 2.27167516E+01 3.33482104E-02-1.14147170E-05 1.77323611E-09-1.02928181E-13 2 -4.74942024E+04-1.00165532E+02-7.86866270E+00 1.07082884E-01-7.99261412E-05 3 3.09381767E-08-4.88928712E-12-3.71310558E+04 6.32354420E+01 4 HOOC7H14OOR TH0604C 7H 15O 4 G 300.000 5000.000 1389.00 1 3.22701247E+01 3.38018586E-02-1.17744130E-05 1.85045296E-09-1.08273870E-13 2 -4.51921470E+04-1.36006242E+02 8.69974505E-01 1.10992638E-01-8.70617349E-05 3 3.63722409E-08-6.30781767E-12-3.45022075E+04 3.15562498E+01 4 C7H14CYOL TH0604C 7H 14O 1 G 300.000 5000.000 1397.00 1 2.39707156E+01 3.15604957E-02-1.08236366E-05 1.68344475E-09-9.77938676E-14 2 -3.65180611E+04-1.03819876E+02-4.07760182E+00 9.95491004E-02-7.47718854E-05 3 2.94160769E-08-4.75542180E-12-2.70123651E+04 4.59608289E+01 4 HOOC7H14OOS TH0604C 7H 15O 4 G 300.000 5000.000 1389.00 1 3.22701247E+01 3.38018586E-02-1.17744130E-05 1.85045296E-09-1.08273870E-13 2 -4.51921470E+04-1.36006242E+02 8.69974505E-01 1.10992638E-01-8.70617349E-05 3 3.63722409E-08-6.30781767E-12-3.45022075E+04 3.15562498E+01 4 C5H11VCOA TH0604C 6H 11O 1 G 300.000 5000.000 1387.00 1 2.02289705E+01 2.46981729E-02-8.49052880E-06 1.32284072E-09-7.69426448E-14 2 -2.33186113E+04-8.05702846E+01-1.97036659E-01 7.25752874E-02-5.22051930E-05 3 1.99028262E-08-3.17330797E-12-1.61709844E+04 2.91920692E+01 4 C5H11VCOB TH0604C 6H 11O 1 G 300.000 5000.000 1388.00 1 1.96284886E+01 2.54855791E-02-8.82143144E-06 1.38050347E-09-8.05382998E-14 2 -2.45224900E+04-7.73565140E+01-8.48514423E-02 6.89678873E-02-4.52400065E-05 3 1.52608538E-08-2.12686828E-12-1.73551304E+04 2.95358135E+01 4 C4H9COC TH0604C 5H 9O 1 G 300.000 5000.000 1379.00 1 1.68231815E+01 1.98488143E-02-6.71203067E-06 1.03496591E-09-5.97878165E-14 2 -1.80324110E+04-6.08998139E+01 1.60651534E+00 5.25877446E-02-3.27458150E-05 3 1.01065646E-08-1.22463182E-12-1.24602962E+04 2.18330836E+01 4 C4H8CYOIT TH0604C 4H 8O 1 G 300.000 5000.000 1398.00 1 1.42267616E+01 1.83390502E-02-6.29557415E-06 9.79812296E-10-5.69441142E-14 2 -2.29915732E+04-5.42958246E+01-2.69963587E+00 6.01159007E-02-4.64521595E-05 3 1.88010699E-08-3.11680956E-12-1.73302368E+04 3.58268979E+01 4 HOOC4H8OOTI TH0604C 4H 9O 4 G 300.000 5000.000 1386.00 1 2.26372596E+01 2.03201012E-02-7.12113274E-06 1.12368826E-09-6.59352994E-14 2 -3.16837318E+04-8.70506590E+01 2.25323795E+00 7.14255120E-02-5.83301185E-05 3 2.53167727E-08-4.53455425E-12-2.48185382E+04 2.14161812E+01 4 HOOC4H8OOIT TH0604C 4H 9O 4 G 300.000 5000.000 1386.00 1 2.26372596E+01 2.03201012E-02-7.12113274E-06 1.12368826E-09-6.59352994E-14 2 -3.16837318E+04-8.70506590E+01 2.25323795E+00 7.14255120E-02-5.83301185E-05 3 2.53167727E-08-4.53455425E-12-2.48185382E+04 2.14161812E+01 4 C4H8CYOII TH0604C 4H 8O 1 G 300.000 5000.000 1397.00 1 1.29435814E+01 1.96267146E-02-6.69322616E-06 1.03732483E-09-6.01174209E-14 2 -2.03254700E+04-4.75227141E+01-4.53563527E+00 6.01009806E-02-4.20838378E-05 3 1.49246373E-08-2.12302527E-12-1.42671454E+04 4.63984911E+01 4 HOOC4H8OOII TH0604C 4H 9O 4 G 300.000 5000.000 1385.00 1 2.19047398E+01 2.09479440E-02-7.33909943E-06 1.15786728E-09-6.79320962E-14 2 -2.81107404E+04-8.15791351E+01 2.39843800E+00 6.75941918E-02-5.15457783E-05 3 2.09394523E-08-3.56146326E-12-2.13211873E+04 2.30084557E+01 4 C5H10CYOD TH0604C 5H 10O 1 G 300.000 5000.000 1403.00 1 1.76448835E+01 2.26823936E-02-7.71334719E-06 1.19332656E-09-6.90795933E-14 2 -2.63766711E+04-7.38759027E+01-6.22170454E+00 8.10965489E-02-6.22795969E-05 3 2.42701621E-08-3.78833041E-12-1.84617757E+04 5.31785566E+01 4 HOOC5H10OOD TH0604C 5H 11O 4 G 300.000 5000.000 1390.00 1 2.64522549E+01 2.42995309E-02-8.49517593E-06 1.33841170E-09-7.84512826E-14 2 -3.41178499E+04-1.07104241E+02 7.28995451E-01 8.86238516E-02-7.20131652E-05 3 3.06294878E-08-5.33659175E-12-2.55205192E+04 2.96928708E+01 4 HOOC3H6OOHBA TH0604C 3H 7O 4 G 300.000 5000.000 1386.00 1 1.91754552E+01 1.59820650E-02-5.61090263E-06 8.86447544E-10-5.20585912E-14 2 -2.51333662E+04-6.79043746E+01 2.65470506E+00 5.73893775E-02-4.70489874E-05 3 2.04261040E-08-3.65388741E-12-1.95729553E+04 2.00017641E+01 4 C5H12CCOA TH0604C 7H 12O 1 G 300.000 5000.000 1400.00 1 2.30930201E+01 2.70671813E-02-9.24024462E-06 1.43265811E-09-8.30397051E-14 2 -3.07102422E+04-9.22473125E+01-4.62908305E-01 8.51555843E-02-6.49631861E-05 3 2.60824717E-08-4.29746510E-12-2.28311030E+04 3.31830819E+01 4 CHOC6H12OOHA TH0604C 7H 14O 3 G 300.000 5000.000 1390.00 1 2.98296535E+01 3.11592009E-02-1.08537896E-05 1.70586666E-09-9.98211752E-14 2 -5.79034427E+04-1.23692146E+02 1.41483008E-01 1.01691788E-01-7.61025675E-05 3 2.97311288E-08-4.80103080E-12-4.76396146E+04 3.54552058E+01 4 CHOC6H12OOHB TH0604C 7H 14O 3 G 300.000 5000.000 1388.00 1 2.90746714E+01 3.17171278E-02-1.10259547E-05 1.73047751E-09-1.01157873E-13 2 -5.81847152E+04-1.18821414E+02 2.21633079E+00 9.47370903E-02-6.90459049E-05 3 2.67802319E-08-4.36333170E-12-4.87467899E+04 2.55593959E+01 4 C4H9VCOA TH0604C 5H 9O 1 G 300.000 5000.000 1386.00 1 1.67612275E+01 2.05754163E-02-7.09948578E-06 1.10875778E-09-6.45946512E-14 2 -1.79694575E+04-6.18960042E+01 8.31897940E-01 5.71233376E-02-3.98380436E-05 3 1.48459098E-08-2.34367839E-12-1.22820901E+04 2.40403476E+01 4 CHOC6H12OOHC TH0604C 7H 14O 3 G 300.000 5000.000 1388.00 1 2.90746714E+01 3.17171278E-02-1.10259547E-05 1.73047751E-09-1.01157873E-13 2 -5.81847152E+04-1.18821414E+02 2.21633079E+00 9.47370903E-02-6.90459049E-05 3 2.67802319E-08-4.36333170E-12-4.87467899E+04 2.55593959E+01 4 C4H10CCOA TH0604C 6H 10O 1 G 300.000 5000.000 1401.00 1 1.98917237E+01 2.26272240E-02-7.72121052E-06 1.19678326E-09-6.93532387E-14 2 -2.65972039E+04-7.64630523E+01-8.69820296E-02 7.24478104E-02-5.61552514E-05 3 2.29255133E-08-3.83431299E-12-1.99686885E+04 2.97250990E+01 4 COC6H13OOHA TH0604C 7H 14O 3 G 300.000 5000.000 1388.00 1 2.95030907E+01 3.15115094E-02-1.09923177E-05 1.72929313E-09-1.01259209E-13 2 -6.16369445E+04-1.22601286E+02-2.93732971E-01 1.01734815E-01-7.53945362E-05 3 2.91701614E-08-4.67557486E-12-5.12674509E+04 3.73492083E+01 4 COC6H13OOHB TH0604C 7H 14O 3 G 300.000 5000.000 1387.00 1 2.88325977E+01 3.20172226E-02-1.11509965E-05 1.75228603E-09-1.02521910E-13 2 -6.19642223E+04-1.18250841E+02 1.53026732E+00 9.58132026E-02-6.96635545E-05 3 2.69512939E-08-4.38677248E-12-5.23342147E+04 2.86273608E+01 4 C2H5COCH2 TH0604C 4H 7O 1 G 300.000 5000.000 1384.00 1 1.36400230E+01 1.59974933E-02-5.51830889E-06 8.61739455E-10-5.02031719E-14 2 -1.38860415E+04-4.65645838E+01 1.03550982E+00 4.49955327E-02-3.16363076E-05 3 1.19125222E-08-1.90256034E-12-9.38915357E+03 2.14150341E+01 4 COC6H13OOHC TH0604C 7H 14O 3 G 300.000 5000.000 1387.00 1 2.88325977E+01 3.20172226E-02-1.11509965E-05 1.75228603E-09-1.02521910E-13 2 -6.19642223E+04-1.18250841E+02 1.53026732E+00 9.58132026E-02-6.96635545E-05 3 2.69512939E-08-4.38677248E-12-5.23342147E+04 2.86273608E+01 4 COC6H13OOHD TH0604C 7H 14O 3 G 300.000 5000.000 1388.00 1 2.85792675E+01 3.23744883E-02-1.13064031E-05 1.77995069E-09-1.04272332E-13 2 -5.83572816E+04-1.16100264E+02-3.29529091E+00 1.14434561E-01-9.61650061E-05 3 4.31024216E-08-7.92798483E-12-4.78048509E+04 5.28013138E+01 4 C3H8CCOA TH0604C 5H 8O 1 G 300.000 5000.000 1401.00 1 1.66415083E+01 1.82638850E-02-6.23615553E-06 9.66982198E-10-5.60510706E-14 2 -2.24867604E+04-6.04507761E+01-6.20455172E-02 6.10295372E-02-4.91658337E-05 3 2.08890113E-08-3.62034407E-12-1.70449707E+04 2.79538704E+01 4 C2H5CHCO TH0604C 4H 6O 1 G 300.000 5000.000 1400.00 1 1.34093375E+01 1.38786267E-02-4.74227061E-06 7.35685615E-10-4.26575456E-14 2 -1.83786470E+04-4.45282247E+01 2.74386903E-01 4.83072194E-02-4.02558651E-05 3 1.76697636E-08-3.14702493E-12-1.41709179E+04 2.47200362E+01 4 COC6H13OOHE TH0604C 7H 14O 3 G 300.000 5000.000 1388.00 1 2.92485470E+01 3.17069272E-02-1.10539231E-05 1.73820720E-09-1.01746724E-13 2 -6.16034844E+04-1.20755817E+02 3.03958916E-01 1.01456521E-01-7.74496546E-05 3 3.14392084E-08-5.32193112E-12-5.16153696E+04 3.41907648E+01 4 COC6H13OOHF TH0604C 7H 14O 3 G 300.000 5000.000 1386.00 1 2.86566981E+01 3.21565793E-02-1.11959188E-05 1.75889497E-09-1.02888014E-13 2 -6.19744506E+04-1.16883589E+02 2.32186256E+00 9.45240193E-02-6.99211946E-05 3 2.79874447E-08-4.74465002E-12-5.27085951E+04 2.45959611E+01 4 COC6H13OOHG TH0604C 7H 14O 3 G 300.000 5000.000 1386.00 1 2.86566981E+01 3.21565793E-02-1.11959188E-05 1.75889497E-09-1.02888014E-13 2 -6.19744506E+04-1.16883589E+02 2.32186256E+00 9.45240193E-02-6.99211946E-05 3 2.79874447E-08-4.74465002E-12-5.27085951E+04 2.45959611E+01 4 COC6H13OOHH TH0604C 7H 14O 3 G 300.000 5000.000 1388.00 1 2.92485470E+01 3.17069272E-02-1.10539231E-05 1.73820720E-09-1.01746724E-13 2 -6.16034844E+04-1.20755817E+02 3.03958916E-01 1.01456521E-01-7.74496546E-05 3 3.14392084E-08-5.32193112E-12-5.16153696E+04 3.41907648E+01 4 COC6H13OOHI TH0604C 7H 14O 3 G 300.000 5000.000 1384.00 1 2.81601555E+01 3.24795018E-02-1.12861895E-05 1.77084618E-09-1.03499263E-13 2 -5.96559216E+04-1.13163634E+02 2.54402362E+00 9.14551312E-02-6.48428309E-05 3 2.47983257E-08-4.04632668E-12-5.04773168E+04 2.50494188E+01 4 COC6H13OOHJ TH0604C 7H 14O 3 G 300.000 5000.000 1384.00 1 2.81601555E+01 3.24795018E-02-1.12861895E-05 1.77084618E-09-1.03499263E-13 2 -5.96559216E+04-1.13163634E+02 2.54402362E+00 9.14551312E-02-6.48428309E-05 3 2.47983257E-08-4.04632668E-12-5.04773168E+04 2.50494188E+01 4 COC6H13OOHK TH0604C 7H 14O 3 G 300.000 5000.000 1386.00 1 2.86566981E+01 3.21565793E-02-1.11959188E-05 1.75889497E-09-1.02888014E-13 2 -6.19744506E+04-1.16883589E+02 2.32186256E+00 9.45240193E-02-6.99211946E-05 3 2.79874447E-08-4.74465002E-12-5.27085951E+04 2.45959611E+01 4 COC6H13OOHL TH0604C 7H 14O 3 G 300.000 5000.000 1388.00 1 2.92485470E+01 3.17069272E-02-1.10539231E-05 1.73820720E-09-1.01746724E-13 2 -6.16034844E+04-1.20755817E+02 3.03958916E-01 1.01456521E-01-7.74496546E-05 3 3.14392084E-08-5.32193112E-12-5.16153696E+04 3.41907648E+01 4 C6H11B TH0604C 6H 11 G 300.000 5000.000 1387.00 1 1.72178307E+01 2.53591284E-02-8.76630981E-06 1.37067615E-09-7.99157885E-14 2 1.35628767E+03-6.68894173E+01-7.69471592E-01 6.30127488E-02-3.77966188E-05 3 1.11423535E-08-1.28606293E-12 8.10374646E+03 3.13699239E+01 4 C6H12CYOD TH0604C 6H 12O 1 G 300.000 5000.000 1397.00 1 2.12719957E+01 2.68739047E-02-9.25923738E-06 1.44461223E-09-8.41016584E-14 2 -3.13574666E+04-8.87875406E+01-4.26668369E+00 8.98976348E-02-6.98808615E-05 3 2.83916093E-08-4.72183228E-12-2.28093189E+04 4.72029921E+01 4 HOOC6H12OOD TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.95563348E+01 2.88251943E-02-1.00430208E-05 1.57858912E-09-9.23767186E-14 2 -3.98599910E+04-1.20499668E+02 1.71201850E+00 9.83817853E-02-7.90579265E-05 3 3.37141529E-08-5.93184331E-12-3.04994904E+04 2.76812178E+01 4 C6H12CYOE TH0604C 6H 12O 1 G 300.000 5000.000 1400.00 1 2.01025565E+01 2.80575485E-02-9.61557758E-06 1.49481345E-09-8.68050676E-14 2 -3.19349084E+04-8.37427243E+01-5.24051585E+00 8.99429050E-02-6.81838573E-05 3 2.69941864E-08-4.37477874E-12-2.34090508E+04 5.14004162E+01 4 HOOC6H12OOE TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.95563348E+01 2.88251943E-02-1.00430208E-05 1.57858912E-09-9.23767186E-14 2 -3.98599910E+04-1.20499668E+02 1.71201850E+00 9.83817853E-02-7.90579265E-05 3 3.37141529E-08-5.93184331E-12-3.04994904E+04 2.76812178E+01 4 HOOC6H12OOF TH0604C 6H 13O 4 G 300.000 5000.000 1388.00 1 2.87919669E+01 2.95092408E-02-1.02867679E-05 1.61745281E-09-9.46728302E-14 2 -3.74715759E+04-1.15325726E+02 2.18753111E+00 9.38165014E-02-7.18803602E-05 3 2.94050825E-08-5.02412230E-12-2.82936706E+04 2.70523060E+01 4 C6H12CYOF TH0604C 6H 12O 1 G 300.000 5000.000 1397.00 1 2.12719957E+01 2.68739047E-02-9.25923738E-06 1.44461223E-09-8.41016584E-14 2 -3.13574666E+04-8.87875406E+01-4.26668369E+00 8.98976348E-02-6.98808615E-05 3 2.83916093E-08-4.72183228E-12-2.28093189E+04 4.72029921E+01 4 HOOC6H12OOG TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.95563348E+01 2.88251943E-02-1.00430208E-05 1.57858912E-09-9.23767186E-14 2 -3.98599910E+04-1.20499668E+02 1.71201850E+00 9.83817853E-02-7.90579265E-05 3 3.37141529E-08-5.93184331E-12-3.04994904E+04 2.76812178E+01 4 HOOC6H12OOH TH0604C 6H 13O 4 G 300.000 5000.000 1388.00 1 2.87919669E+01 2.95092408E-02-1.02867679E-05 1.61745281E-09-9.46728302E-14 2 -3.74715759E+04-1.15325726E+02 2.18753111E+00 9.38165014E-02-7.18803602E-05 3 2.94050825E-08-5.02412230E-12-2.82936706E+04 2.70523060E+01 4 HOOC6H12OOI TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.95563348E+01 2.88251943E-02-1.00430208E-05 1.57858912E-09-9.23767186E-14 2 -3.98599910E+04-1.20499668E+02 1.71201850E+00 9.83817853E-02-7.90579265E-05 3 3.37141529E-08-5.93184331E-12-3.04994904E+04 2.76812178E+01 4 HOOC6H12OOJ TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.95563348E+01 2.88251943E-02-1.00430208E-05 1.57858912E-09-9.23767186E-14 2 -3.98599910E+04-1.20499668E+02 1.71201850E+00 9.83817853E-02-7.90579265E-05 3 3.37141529E-08-5.93184331E-12-3.04994904E+04 2.76812178E+01 4 C6H12CYOG TH0604C 6H 12O 1 G 300.000 5000.000 1401.00 1 1.95036603E+01 2.89812657E-02-9.93264701E-06 1.54418788E-09-8.96766563E-14 2 -4.20319389E+04-8.19480387E+01-7.09326593E+00 9.37972251E-02-7.09910234E-05 3 2.79405638E-08-4.48968233E-12-3.30860430E+04 5.99028917E+01 4 HOOC6H12OOK TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.95563348E+01 2.88251943E-02-1.00430208E-05 1.57858912E-09-9.23767186E-14 2 -3.98599910E+04-1.20499668E+02 1.71201850E+00 9.83817853E-02-7.90579265E-05 3 3.37141529E-08-5.93184331E-12-3.04994904E+04 2.76812178E+01 4 HOOC6H12OOL TH0604C 6H 13O 4 G 300.000 5000.000 1388.00 1 2.87919669E+01 2.95092408E-02-1.02867679E-05 1.61745281E-09-9.46728302E-14 2 -3.74715759E+04-1.15325726E+02 2.18753111E+00 9.38165014E-02-7.18803602E-05 3 2.94050825E-08-5.02412230E-12-2.82936706E+04 2.70523060E+01 4 CHOC5H10OOHA TH0604C 6H 12O 3 G 300.000 5000.000 1389.00 1 2.66356599E+01 2.66592929E-02-9.30238062E-06 1.46373585E-09-8.57222772E-14 2 -5.37864659E+04-1.07932327E+02 3.65323915E-01 8.95406314E-02-6.80207172E-05 3 2.69452706E-08-4.40342443E-12-4.47520861E+04 3.27257089E+01 4 CHOC5H10OOHB TH0604C 6H 12O 3 G 300.000 5000.000 1387.00 1 2.59329714E+01 2.71795972E-02-9.46319884E-06 1.48675567E-09-8.69739468E-14 2 -5.40940823E+04-1.03378921E+02 2.36539059E+00 8.28598283E-02-6.12245444E-05 3 2.40908230E-08-3.97743379E-12-4.58458200E+04 2.31850587E+01 4 CHOC5H10OOHC TH0604C 6H 12O 3 G 300.000 5000.000 1387.00 1 2.59329714E+01 2.71795972E-02-9.46319884E-06 1.48675567E-09-8.69739468E-14 2 -5.40940823E+04-1.03378921E+02 2.36539059E+00 8.28598283E-02-6.12245444E-05 3 2.40908230E-08-3.97743379E-12-4.58458200E+04 2.31850587E+01 4 C5H9B TH0604C 5H 9 G 300.000 5000.000 1385.00 1 1.40342847E+01 2.09325325E-02-7.25834129E-06 1.13721359E-09-6.63978849E-14 2 5.44417092E+03-5.12497232E+01-5.22955165E-01 5.06882055E-02-2.93737063E-05 3 8.16681625E-09-8.56621566E-13 1.09907702E+04 2.85505828E+01 4 C5H10CYOE TH0604C 5H 10O 1 G 300.000 5000.000 1401.00 1 1.77029426E+01 2.24851728E-02-7.69966455E-06 1.19631206E-09-6.94438655E-14 2 -2.69888116E+04-7.06262774E+01-3.27087672E+00 7.48823098E-02-5.86760745E-05 3 2.40572431E-08-4.02590224E-12-2.00481175E+04 4.08033824E+01 4 HOOC5H10OOE TH0604C 5H 11O 4 G 300.000 5000.000 1389.00 1 2.62834633E+01 2.43692000E-02-8.50149320E-06 1.33743944E-09-7.83118329E-14 2 -3.56933386E+04-1.04244489E+02 2.09027794E+00 8.57167440E-02-7.05080881E-05 3 3.07590966E-08-5.51394907E-12-2.76377682E+04 2.42057752E+01 4 C5H10CYOF TH0604C 5H 10O 1 G 300.000 5000.000 1401.00 1 1.69397514E+01 2.35493671E-02-8.06536320E-06 1.25329225E-09-7.27588344E-14 2 -2.78376653E+04-6.81819732E+01-5.06538794E+00 7.79482339E-02-6.02207129E-05 3 2.42407399E-08-3.97922155E-12-2.05117653E+04 4.89080068E+01 4 HOOC5H10OOF TH0604C 5H 11O 4 G 300.000 5000.000 1389.00 1 2.62834633E+01 2.43692000E-02-8.50149320E-06 1.33743944E-09-7.83118329E-14 2 -3.56933386E+04-1.04244489E+02 2.09027794E+00 8.57167440E-02-7.05080881E-05 3 3.07590966E-08-5.51394907E-12-2.76377682E+04 2.42057752E+01 4 HOOC5H10OOG TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.55600186E+01 2.50237604E-02-8.73636912E-06 1.37506452E-09-8.05420767E-14 2 -3.33315003E+04-9.93257147E+01 2.52345757E+00 8.12123222E-02-6.32364509E-05 3 2.63148520E-08-4.56524459E-12-2.54238182E+04 2.37980485E+01 4 HOOC5H10OOH TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.55600186E+01 2.50237604E-02-8.73636912E-06 1.37506452E-09-8.05420767E-14 2 -3.33315003E+04-9.93257147E+01 2.52345757E+00 8.12123222E-02-6.32364509E-05 3 2.63148520E-08-4.56524459E-12-2.54238182E+04 2.37980485E+01 4 CHOC4H8OOHA TH0604C 5H 10O 3 G 300.000 5000.000 1389.00 1 2.34425342E+01 2.21549115E-02-7.74862767E-06 1.22115782E-09-7.15941121E-14 2 -4.96685122E+04-9.21758697E+01 5.70972408E-01 7.74590737E-02-6.00354250E-05 3 2.42145350E-08-4.01705585E-12-4.18602747E+04 3.00841438E+01 4 CHOC4H8OOHB TH0604C 5H 10O 3 G 300.000 5000.000 1387.00 1 2.27905061E+01 2.26378179E-02-7.89792521E-06 1.24253376E-09-7.27566519E-14 2 -5.00024982E+04-8.79285893E+01 2.54078733E+00 7.08552819E-02-5.32079639E-05 3 2.12766458E-08-3.56327810E-12-4.29485366E+04 2.06921866E+01 4 CHOC4H8OOHC TH0604C 5H 10O 3 G 300.000 5000.000 1387.00 1 2.27905061E+01 2.26378179E-02-7.89792521E-06 1.24253376E-09-7.27566519E-14 2 -5.00024982E+04-8.79285893E+01 2.54078733E+00 7.08552819E-02-5.32079639E-05 3 2.12766458E-08-3.56327810E-12-4.29485366E+04 2.06921866E+01 4 CHOC2H4OOHB TH0604C 3H 6O 3 G 300.000 5000.000 1388.00 1 1.70765875E+01 1.31007347E-02-4.61933054E-06 7.31971082E-10-4.30779102E-14 2 -4.14351239E+04-6.07633835E+01 1.10481568E+00 5.27391172E-02-4.31764954E-05 3 1.81579853E-08-3.10432693E-12-3.60963806E+04 2.42331103E+01 4 CHOC2H4OOHC TH0604C 3H 6O 3 G 300.000 5000.000 1379.00 1 1.58952313E+01 1.40933213E-02-4.95836507E-06 7.84463014E-10-4.61144475E-14 2 -3.94772237E+04-5.27015581E+01 3.60090717E+00 4.16493058E-02-2.91003160E-05 3 1.07643659E-08-1.69621832E-12-3.49978418E+04 1.38986201E+01 4 CHOC3H6OOHAB TH0604C 4H 8O 3 G 300.000 5000.000 1388.00 1 2.02457013E+01 1.76444656E-02-6.19076212E-06 9.77728878E-10-5.74079937E-14 2 -4.55470221E+04-7.63926426E+01 8.02023464E-01 6.52532418E-02-5.18623356E-05 3 2.13618664E-08-3.60238009E-12-3.89719450E+04 2.73275718E+01 4 CHOC3H6OOHAC TH0604C 4H 8O 3 G 300.000 5000.000 1386.00 1 1.96439319E+01 1.80926447E-02-6.32998863E-06 9.97743284E-10-5.85001432E-14 2 -4.59082231E+04-7.24512696E+01 2.74256211E+00 5.87203348E-02-4.49968448E-05 3 1.83400166E-08-3.12157485E-12-4.00548116E+04 1.80802829E+01 4 CHOC3H6OOHAD TH0604C 4H 8O 3 G 300.000 5000.000 1382.00 1 1.90316727E+01 1.86532849E-02-6.53269161E-06 1.03037868E-09-6.04414403E-14 2 -4.35683383E+04-6.81215804E+01 3.45186668E+00 5.35335245E-02-3.69299957E-05 3 1.34652852E-08-2.08632432E-12-3.78990740E+04 1.62710494E+01 4 C6H12D TH0604C 6H 12 G 300.000 5000.000 1393.00 1 1.72958417E+01 2.74903724E-02-9.42217626E-06 1.46465402E-09-8.50436546E-14 2 -1.65675273E+04-6.72871276E+01-1.31112070E+00 6.85802591E-02-4.39747884E-05 3 1.47254377E-08-2.05776596E-12-9.79542990E+03 3.36070790E+01 4 C6H12E TH0604C 6H 12 G 300.000 5000.000 1393.00 1 1.77876527E+01 2.70738166E-02-9.27925234E-06 1.44246521E-09-8.37578383E-14 2 -1.53785214E+04-6.96431458E+01-1.76198877E+00 7.15480932E-02-4.82063271E-05 3 1.71333585E-08-2.54848861E-12-8.40685298E+03 3.58786519E+01 4 C6H12OOHM TH0604C 6H 13O 2 G 300.000 5000.000 1389.00 1 2.45595969E+01 2.78129385E-02-9.56660948E-06 1.49114496E-09-8.67612888E-14 2 -2.19669859E+04-9.85684530E+01 2.50007415E-01 8.36545445E-02-5.85367662E-05 3 2.10669110E-08-3.10508000E-12-1.34208385E+04 3.23417727E+01 4 C6H12OOHN TH0604C 6H 13O 2 G 300.000 5000.000 1384.00 1 2.37087489E+01 2.89330408E-02-1.00377241E-05 1.57325369E-09-9.18810315E-14 2 -2.26510359E+04-9.40385640E+01 3.07656811E+00 7.14882419E-02-4.21529427E-05 3 1.20552037E-08-1.32834796E-12-1.48321265E+04 1.89213610E+01 4 C6H12OOHO TH0604C 6H 13O 2 G 300.000 5000.000 1391.00 1 2.51344572E+01 2.77243365E-02-9.62159686E-06 1.50841090E-09-8.81108314E-14 2 -2.08195844E+04-1.02361243E+02-3.45309971E-01 8.91658188E-02-6.76502671E-05 3 2.70435920E-08-4.47749124E-12-1.20861948E+04 3.39294184E+01 4 C6H12OOHP TH0604C 6H 13O 2 G 300.000 5000.000 1391.00 1 2.51344572E+01 2.77243365E-02-9.62159686E-06 1.50841090E-09-8.81108314E-14 2 -2.08195844E+04-1.02361243E+02-3.45309971E-01 8.91658188E-02-6.76502671E-05 3 2.70435920E-08-4.47749124E-12-1.20861948E+04 3.39294184E+01 4 C6H13OOHD TH0604C 6H 14O 2 G 300.000 5000.000 1391.00 1 2.55582959E+01 2.98815733E-02-1.03589920E-05 1.62281737E-09-9.47444320E-14 2 -4.58941268E+04-1.07513497E+02-1.14418230E+00 9.38025488E-02-7.02042762E-05 3 2.77188123E-08-4.54310829E-12-3.66924082E+04 3.54874428E+01 4 C4H9CHOC TH0604C 5H 10O 1 G 300.000 5000.000 1381.00 1 1.71939688E+01 2.20489230E-02-7.46217463E-06 1.15103463E-09-6.65015066E-14 2 -3.69751846E+04-6.45477606E+01 8.36455968E-01 5.73830248E-02-3.58230879E-05 3 1.12096361E-08-1.39777940E-12-3.09895065E+04 2.43540948E+01 4 CHOC7H14OOHA TH0604C 8H 16O 3 G 300.000 5000.000 1394.00 1 3.47132119E+01 3.41938437E-02-1.18948455E-05 1.86796784E-09-1.09249956E-13 2 -6.65289692E+04-1.53790517E+02-2.37294249E+00 1.24978785E-01-9.80736827E-05 3 3.95366959E-08-6.47609053E-12-5.40812340E+04 4.38867630E+01 4 CHOC7H14OOHB TH0604C 8H 16O 3 G 300.000 5000.000 1394.00 1 3.44940970E+01 3.43490557E-02-1.19405567E-05 1.87420768E-09-1.09574516E-13 2 -6.75667953E+04-1.52842235E+02-1.61514846E+00 1.23262658E-01-9.72716952E-05 3 3.97423192E-08-6.62335260E-12-5.54616117E+04 3.95059773E+01 4 CHOC7H14OOHC TH0604C 8H 16O 3 G 300.000 5000.000 1393.00 1 3.37751636E+01 3.49393631E-02-1.21399399E-05 1.90490842E-09-1.11345712E-13 2 -6.39940977E+04-1.47436963E+02-1.46478742E+00 1.19396173E-01-9.04070011E-05 3 3.52871922E-08-5.62716769E-12-5.19648036E+04 4.10751984E+01 4 COC7H15OOHA TH0604C 8H 16O 3 G 300.000 5000.000 1393.00 1 3.37013249E+01 3.51404946E-02-1.22403555E-05 1.92384697E-09-1.12581529E-13 2 -6.78193788E+04-1.47715685E+02-3.69054288E+00 1.27292525E-01-1.00891530E-04 3 4.14152491E-08-6.93785042E-12-5.52794020E+04 5.14583631E+01 4 COC7H15OOHB TH0604C 8H 16O 3 G 300.000 5000.000 1394.00 1 3.50699483E+01 3.40089371E-02-1.18584455E-05 1.86523843E-09-1.09213666E-13 2 -7.03120662E+04-1.58881572E+02-3.14799478E+00 1.27010983E-01-9.93005558E-05 3 3.96105492E-08-6.39954683E-12-5.74529592E+04 4.49851796E+01 4 COC7H15OOHC TH0604C 8H 16O 3 G 300.000 5000.000 1393.00 1 3.37013249E+01 3.51404946E-02-1.22403555E-05 1.92384697E-09-1.12581529E-13 2 -6.78193788E+04-1.48813885E+02-3.69054288E+00 1.27292525E-01-1.00891530E-04 3 4.14152491E-08-6.93785042E-12-5.52794020E+04 5.03601636E+01 4 C6H14CCOA TH0604C 8H 14O 1 G 300.000 5000.000 1404.00 1 2.80745224E+01 2.99302073E-02-1.02029848E-05 1.58057603E-09-9.15643177E-14 2 -3.97315316E+04-1.23523312E+02-1.93055610E+00 1.06211171E-01-8.54087766E-05 3 3.55648080E-08-5.98526420E-12-2.99904376E+04 3.53247005E+01 4 C4H10CCOB TH0604C 6H 10O 1 G 300.000 5000.000 1409.00 1 2.17070878E+01 2.09743636E-02-7.12985181E-06 1.10253250E-09-6.37949519E-14 2 -2.93276919E+04-9.14163092E+01-2.27718053E+00 8.38067718E-02-7.07818359E-05 3 3.05039517E-08-5.24551580E-12-2.17685196E+04 3.48288041E+01 4 C5H10C TH0604C 5H 10 G 300.000 5000.000 1391.00 1 1.45615333E+01 2.25365494E-02-7.70074230E-06 1.19462991E-09-6.92673061E-14 2 -1.18009986E+04-5.30636761E+01-2.79175330E-01 5.53665396E-02-3.54703608E-05 3 1.19758070E-08-1.70173075E-12-6.39571573E+03 2.74046848E+01 4 C6H13OOF TH0604C 6H 13O 2 G 300.000 5000.000 1392.00 1 2.37159165E+01 2.91271826E-02-1.00538353E-05 1.57037759E-09-9.14925002E-14 2 -2.60822265E+04-9.71659968E+01-5.45551045E-01 8.70906865E-02-6.42943795E-05 3 2.52470545E-08-4.13607155E-12-1.76968979E+04 3.28245878E+01 4 C6H13OF TH0604C 6H 13O 1 G 300.000 5000.000 1398.00 1 2.22830087E+01 2.75873737E-02-9.38706480E-06 1.45253124E-09-8.40846623E-14 2 -2.56266839E+04-9.29896964E+01-2.56434128E+00 8.76193496E-02-6.52246637E-05 3 2.52134269E-08-3.97674454E-12-1.72317705E+04 3.96914529E+01 4 C6H12F TH0604C 6H 12 G 300.000 5000.000 1398.00 1 1.96983672E+01 2.49317284E-02-8.43402812E-06 1.30012631E-09-7.50695286E-14 2 -1.69315887E+04-8.35465589E+01-3.56703211E+00 8.16527980E-02-6.15636937E-05 3 2.40009413E-08-3.79749361E-12-9.14858778E+03 4.04621993E+01 4 C6H12OOHQ TH0604C 6H 13O 2 G 300.000 5000.000 1387.00 1 2.59899889E+01 2.60590974E-02-8.85705091E-06 1.37061939E-09-7.93825421E-14 2 -2.17553438E+04-1.08910194E+02-7.50255168E-01 8.81389954E-02-6.31582883E-05 3 2.26415236E-08-3.22941890E-12-1.25299672E+04 3.46751167E+01 4 C6H12OOHR TH0604C 6H 13O 2 G 300.000 5000.000 1393.00 1 2.57596205E+01 2.71513412E-02-9.41533914E-06 1.47537586E-09-8.61551327E-14 2 -2.02918269E+04-1.07051973E+02-7.56845328E-01 9.14438671E-02-7.00834928E-05 3 2.79595274E-08-4.57651472E-12-1.12896257E+04 3.45729770E+01 4 C6H13OOHE TH0604C 6H 14O 2 G 300.000 5000.000 1393.00 1 2.61737509E+01 2.93041055E-02-1.01483601E-05 1.58880322E-09-9.27196899E-14 2 -4.53568985E+04-1.13230497E+02-1.50665894E+00 9.59185224E-02-7.24568367E-05 3 2.85395266E-08-4.62258391E-12-3.59058822E+04 3.47943803E+01 4 CHOC7H14OOHD TH0604C 8H 16O 3 G 300.000 5000.000 1395.00 1 3.51795774E+01 3.37367655E-02-1.17243423E-05 1.84006981E-09-1.07575288E-13 2 -6.68263664E+04-1.58765209E+02-1.57989862E+00 1.22373349E-01-9.39008764E-05 3 3.66677826E-08-5.78968393E-12-5.43993905E+04 3.75719430E+01 4 CHOC7H14OOHE TH0604C 8H 16O 3 G 300.000 5000.000 1395.00 1 3.47564506E+01 3.41103682E-02-1.18555697E-05 1.86073492E-09-1.08783876E-13 2 -6.68770455E+04-1.55099169E+02-2.64648591E+00 1.26354846E-01-1.00152391E-04 3 4.07771939E-08-6.73593389E-12-5.43972365E+04 4.40139654E+01 4 CHOC7H14OOHF TH0604C 8H 16O 3 G 300.000 5000.000 1394.00 1 3.37478075E+01 3.49086330E-02-1.21171057E-05 1.90004679E-09-1.11009413E-13 2 -6.43083796E+04-1.48328785E+02-1.77809934E+00 1.20959606E-01-9.29200476E-05 3 3.68686814E-08-5.97286388E-12-5.22728703E+04 4.13895827E+01 4 C7H14OOHT TH0604C 7H 15O 2 G 300.000 5000.000 1394.00 1 2.92427533E+01 3.08918542E-02-1.05959643E-05 1.64867636E-09-9.58149412E-14 2 -2.80109013E+04-1.25914501E+02-1.41538554E+00 1.04560932E-01-7.86113140E-05 3 3.03438461E-08-4.75611326E-12-1.76198146E+04 3.79276131E+01 4 C7H14OOHU TH0604C 7H 15O 2 G 300.000 5000.000 1395.00 1 2.98226192E+01 3.09358781E-02-1.07255924E-05 1.68049536E-09-9.81260176E-14 2 -2.69002100E+04-1.28728550E+02-1.90514841E+00 1.09402406E-01-8.64342391E-05 3 3.54673096E-08-5.93993054E-12-1.62954737E+04 4.01627582E+01 4 C7H14OOHV TH0604C 7H 15O 2 G 300.000 5000.000 1395.00 1 2.98226192E+01 3.09358781E-02-1.07255924E-05 1.68049536E-09-9.81260176E-14 2 -2.69002100E+04-1.29827952E+02-1.90514841E+00 1.09402406E-01-8.64342391E-05 3 3.54673096E-08-5.93993054E-12-1.62954737E+04 3.90633559E+01 4 C7H15OOHF TH0604C 7H 16O 2 G 300.000 5000.000 1395.00 1 3.02397368E+01 3.30963146E-02-1.14635407E-05 1.79493112E-09-1.04759025E-13 2 -5.19742497E+04-1.34944153E+02-2.77657179E+00 1.14331507E-01-8.94191216E-05 3 3.64075345E-08-6.06351151E-12-4.08909434E+04 4.09645008E+01 4 C5H11CHOB TH0604C 6H 12O 1 G 300.000 5000.000 1389.00 1 2.18079556E+01 2.52419095E-02-8.54147451E-06 1.31734065E-09-7.61018642E-14 2 -4.29930303E+04-9.15082826E+01-8.46038855E-01 7.84011344E-02-5.61372508E-05 3 2.06863645E-08-3.10179706E-12-3.51866022E+04 3.00130544E+01 4 C5H12CCOB TH0604C 7H 12O 1 G 300.000 5000.000 1396.00 1 2.32375269E+01 2.71661025E-02-9.32251653E-06 1.45044414E-09-8.42731545E-14 2 -3.36587612E+04-9.53617880E+01-1.02656854E-01 8.50179465E-02-6.56479672E-05 3 2.69549132E-08-4.57085629E-12-2.58268011E+04 2.89070045E+01 4 C3H8CCOB TH0604C 5H 8O 1 G 300.000 5000.000 1399.00 1 1.67789135E+01 1.82831177E-02-6.27277534E-06 9.75814396E-10-5.66912199E-14 2 -2.35978146E+04-6.27285286E+01-8.02672086E-01 6.41093809E-02-5.33558552E-05 3 2.33843777E-08-4.16446863E-12-1.79306700E+04 3.00698713E+01 4 CHOC3H6OOHIT TH0604C 4H 8O 3 G 300.000 5000.000 1388.00 1 2.09377353E+01 1.71086806E-02-6.01883065E-06 9.52345305E-10-5.59923552E-14 2 -4.73142096E+04-8.29101588E+01 1.14260893E+00 6.33820462E-02-4.73030584E-05 3 1.77103082E-08-2.67161502E-12-4.04684455E+04 2.33501921E+01 4 CHOC3H6OOHII TH0604C 4H 8O 3 G 300.000 5000.000 1387.00 1 1.95701261E+01 1.81987209E-02-6.37760771E-06 1.00644030E-09-5.90613705E-14 2 -4.48200435E+04-7.28341249E+01 1.05060582E+00 6.14479160E-02-4.53746949E-05 3 1.72269205E-08-2.68717819E-12-3.83587596E+04 2.66815137E+01 4 CHOC4H8OOHD TH0604C 5H 10O 3 G 300.000 5000.000 1392.00 1 2.41029120E+01 2.15750962E-02-7.54534103E-06 1.18915866E-09-6.97224498E-14 2 -5.04852045E+04-9.82974002E+01-2.37603969E-01 8.05817835E-02-6.29065783E-05 3 2.50908140E-08-4.06313724E-12-4.22575745E+04 3.16487313E+01 4 CH3COCH2OOH TH0604C 3H 6O 3 G 300.000 5000.000 1388.00 1 1.61675691E+01 1.39418278E-02-4.92522405E-06 7.81398136E-10-4.60250165E-14 2 -4.19229738E+04-5.54446545E+01-2.88055259E+00 6.54582424E-02-6.03723902E-05 3 2.84895618E-08-5.36134085E-12-3.59194649E+04 4.45206551E+01 4 CH2CH2CHO TH0604C 3H 5O 1 G 300.000 5000.000 1370.00 1 1.00185397E+01 1.15265382E-02-3.90922416E-06 6.04027096E-10-3.49448733E-14 2 -2.42845505E+03-2.45319386E+01 2.95430811E+00 2.48006309E-02-1.22673096E-05 3 2.41962992E-09-6.40586672E-14 3.85453901E+02 1.46175335E+01 4 CH2CH2COCH3 TH0604C 4H 7O 1 G 300.000 5000.000 1378.00 1 1.26537565E+01 1.67518439E-02-5.76012756E-06 8.97571935E-10-5.22121842E-14 2 -1.01896136E+04-3.79024749E+01 2.22797127E+00 3.73927442E-02-2.04624670E-05 3 5.31467647E-09-5.11852285E-13-6.12152310E+03 1.95366564E+01 4 C4H9QCOA TH0604C 5H 9O 1 G 300.000 5000.000 1376.00 1 1.61985508E+01 2.05155354E-02-6.97220490E-06 1.07871508E-09-6.24617087E-14 2 -1.45071592E+04-5.52207170E+01 2.39916631E+00 4.98496313E-02-3.07034661E-05 3 9.93064690E-09-1.37185649E-12-9.32200969E+03 2.00951702E+01 4 C5H11VCOC TH0604C 6H 11O 1 G 300.000 5000.000 1386.00 1 1.99438855E+01 2.50447374E-02-8.63164858E-06 1.34699472E-09-7.84313222E-14 2 -2.20729377E+04-7.75654300E+01 6.10894651E-01 6.92937618E-02-4.80251890E-05 3 1.77111126E-08-2.75878754E-12-1.51717421E+04 2.67507431E+01 4 C5H11QCOA TH0604C 6H 11O 1 G 300.000 5000.000 1380.00 1 1.92426516E+01 2.51617425E-02-8.57346623E-06 1.32820855E-09-7.69618161E-14 2 -1.85428784E+04-7.00831906E+01 2.09255893E+00 6.24703622E-02-3.96939032E-05 3 1.33533614E-08-1.91685389E-12-1.22000970E+04 2.31900793E+01 4 COC5H11OOHA TH0604C 6H 12O 3 G 300.000 5000.000 1387.00 1 2.60957770E+01 2.71696968E-02-9.48929612E-06 1.49399079E-09-8.75259076E-14 2 -5.75058413E+04-1.05241519E+02 5.70823738E-01 8.90534794E-02-6.88628093E-05 3 2.82821741E-08-4.83376374E-12-4.87320412E+04 3.12718893E+01 4 COC5H11OOHB TH0604C 6H 12O 3 G 300.000 5000.000 1386.00 1 2.55119986E+01 2.76130725E-02-9.62927181E-06 1.51437970E-09-8.86505025E-14 2 -5.78811434E+04-1.01419432E+02 2.47104096E+00 8.26472751E-02-6.21177210E-05 3 2.53141259E-08-4.36280576E-12-4.98075554E+04 2.22214548E+01 4 COC5H11OOHC TH0604C 6H 12O 3 G 300.000 5000.000 1383.00 1 2.49967204E+01 2.79757382E-02-9.73839115E-06 1.52979751E-09-8.94844791E-14 2 -5.55599551E+04-9.76009552E+01 2.74564252E+00 7.93587436E-02-5.67422161E-05 3 2.19683922E-08-3.63557304E-12-4.75856820E+04 2.24297339E+01 4 COC5H11OOHD TH0604C 6H 12O 3 G 300.000 5000.000 1387.00 1 2.60957770E+01 2.71696968E-02-9.48929612E-06 1.49399079E-09-8.75259076E-14 2 -5.75058413E+04-1.05241519E+02 5.70823738E-01 8.90534794E-02-6.88628093E-05 3 2.82821741E-08-4.83376374E-12-4.87320412E+04 3.12718893E+01 4 COC5H11OOHE TH0604C 6H 12O 3 G 300.000 5000.000 1383.00 1 2.49967204E+01 2.79757382E-02-9.73839115E-06 1.52979751E-09-8.94844791E-14 2 -5.55599551E+04-9.76009552E+01 2.74564252E+00 7.93587436E-02-5.67422161E-05 3 2.19683922E-08-3.63557304E-12-4.75856820E+04 2.24297339E+01 4 COC5H11OOHF TH0604C 6H 12O 3 G 300.000 5000.000 1388.00 1 2.63422496E+01 2.69873397E-02-9.43349112E-06 1.48611069E-09-8.71035976E-14 2 -5.75344790E+04-1.07037597E+02-1.35911124E-01 8.98841217E-02-6.77090268E-05 3 2.66055851E-08-4.32322700E-12-4.83693050E+04 3.49232315E+01 4 COC5H11OOHG TH0604C 6H 12O 3 G 300.000 5000.000 1386.00 1 2.56848098E+01 2.74781450E-02-9.58623134E-06 1.50809771E-09-8.83046643E-14 2 -5.78675977E+04-1.02763013E+02 1.74040578E+00 8.36976541E-02-6.15254885E-05 3 2.40787279E-08-3.96211801E-12-4.94433187E+04 2.59647352E+01 4 COC5H11OOHH TH0604C 6H 12O 3 G 300.000 5000.000 1386.00 1 2.56848098E+01 2.74781450E-02-9.58623134E-06 1.50809771E-09-8.83046643E-14 2 -5.78675977E+04-1.02763013E+02 1.74040578E+00 8.36976541E-02-6.15254885E-05 3 2.40787279E-08-3.96211801E-12-4.94433187E+04 2.59647352E+01 4 COC5H11OOHI TH0604C 6H 12O 3 G 300.000 5000.000 1387.00 1 2.54395915E+01 2.78234448E-02-9.73649016E-06 1.53486081E-09-8.99988854E-14 2 -5.42660973E+04-1.00663491E+02-3.15406724E+00 1.02593268E-01-8.84134380E-05 3 4.04602868E-08-7.55290475E-12-4.49026151E+04 5.04648083E+01 4 COC4H9OOHA TH0604C 5H 10O 3 G 300.000 5000.000 1387.00 1 2.31403712E+01 2.24811933E-02-7.87710489E-06 1.24291172E-09-7.29308141E-14 2 -5.34113417E+04-9.12259151E+01 1.10322143E-01 7.75973159E-02-5.94124046E-05 3 2.36764954E-08-3.89178962E-12-4.54828511E+04 3.20994512E+01 4 COC4H9OOHB TH0604C 5H 10O 3 G 300.000 5000.000 1385.00 1 2.25140290E+01 2.29485122E-02-8.02253217E-06 1.26385074E-09-7.40750037E-14 2 -5.37623039E+04-8.71401786E+01 2.17705948E+00 7.04780394E-02-5.16931213E-05 3 2.01397612E-08-3.29996127E-12-4.65838597E+04 2.22743402E+01 4 COC4H9OOHC TH0604C 5H 10O 3 G 300.000 5000.000 1382.00 1 2.19020998E+01 2.35190076E-02-8.23085850E-06 1.29759382E-09-7.60900432E-14 2 -5.14234676E+04-8.28156389E+01 2.88156043E+00 6.53322377E-02-4.36933892E-05 3 1.53119032E-08-2.27614058E-12-4.44280068E+04 2.04828407E+01 4 COC4H9OOHD TH0604C 5H 10O 3 G 300.000 5000.000 1387.00 1 2.23036189E+01 2.32659864E-02-8.16368515E-06 1.28925227E-09-7.56926285E-14 2 -5.01760947E+04-8.52468629E+01-2.99658505E+00 9.06741660E-02-8.05353746E-05 3 3.77336616E-08-7.15813184E-12-4.20027282E+04 4.80539524E+01 4 C6H11C TH0604C 6H 11 G 300.000 5000.000 1383.00 1 1.68842697E+01 2.57859976E-02-8.94564612E-06 1.40203623E-09-8.18787922E-14 2 -7.42081353E+02-6.72152677E+01-7.64693128E-01 6.12450325E-02-3.44905133E-05 3 9.06041928E-09-8.44552877E-13 6.04699678E+03 2.97568229E+01 4 C6H11D TH0604C 6H 11 G 300.000 5000.000 1388.00 1 1.78526460E+01 2.49609914E-02-8.66067321E-06 1.35752768E-09-7.92865897E-14 2 1.43577010E+03-7.15512876E+01-1.91477869E+00 6.88770014E-02-4.59203384E-05 3 1.58431333E-08-2.27259531E-12 8.59995487E+03 3.55374836E+01 4 C5H11D TH0604C 5H 11 G 300.000 5000.000 1390.00 1 1.53337544E+01 2.41837717E-02-8.30839438E-06 1.29356324E-09-7.51923392E-14 2 -2.18809439E+03-5.62125262E+01-4.25872732E-01 5.79747611E-02-3.56075292E-05 3 1.12561377E-08-1.47379884E-12 3.66620325E+03 2.96303727E+01 4 C6H12CYOH TH0604C 6H 12O 1 G 300.000 5000.000 1399.00 1 2.13718500E+01 2.67261708E-02-9.19455394E-06 1.43310248E-09-8.33748172E-14 2 -3.25196678E+04-9.07087052E+01-4.78685621E+00 9.19906106E-02-7.26195393E-05 3 2.98603142E-08-5.00367113E-12-2.38528969E+04 4.83012139E+01 4 HOOC6H12OOM TH0604C 6H 13O 4 G 300.000 5000.000 1391.00 1 2.95173366E+01 2.88314415E-02-1.00393419E-05 1.57741694E-09-9.22845947E-14 2 -4.10283017E+04-1.21760326E+02 6.86217670E-01 1.01605584E-01-8.28754891E-05 3 3.56805965E-08-6.30365931E-12-3.14339861E+04 3.13668843E+01 4 C6H12CYOI TH0604C 6H 12O 1 G 300.000 5000.000 1398.00 1 2.04376417E+01 2.79366271E-02-9.60964492E-06 1.49757931E-09-8.71144186E-14 2 -3.44313209E+04-8.76172400E+01-6.34241107E+00 9.57238083E-02-7.68911416E-05 3 3.24225210E-08-5.58128869E-12-2.56210568E+04 5.44079613E+01 4 HOOC6H12OON TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.97028928E+01 2.87297250E-02-1.00165514E-05 1.57513360E-09-9.22029612E-14 2 -4.22496715E+04-1.23197952E+02 1.45416376E+00 1.00222484E-01-8.21088845E-05 3 3.57023393E-08-6.38426829E-12-3.28315482E+04 2.68308269E+01 4 C6H12CYOJ TH0604C 6H 12O 1 G 300.000 5000.000 1400.00 1 1.90892557E+01 2.93610139E-02-1.00701090E-05 1.56634412E-09-9.09958583E-14 2 -4.09024313E+04-8.01356058E+01-7.12225063E+00 9.17340928E-02-6.70236701E-05 3 2.53030257E-08-3.89544073E-12-3.19428813E+04 6.01813266E+01 4 HOOC6H12OOO TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.88663525E+01 2.94356888E-02-1.02592701E-05 1.61295316E-09-9.44028919E-14 2 -3.86708004E+04-1.17206273E+02 1.22283048E+00 9.72497624E-02-7.61745769E-05 3 3.17103607E-08-5.47653920E-12-2.92533165E+04 3.03469513E+01 4 C6H12CYOK TH0604C 6H 12O 1 G 300.000 5000.000 1396.00 1 2.05294868E+01 2.74689026E-02-9.45598239E-06 1.47438851E-09-8.57960844E-14 2 -3.00400931E+04-8.49521378E+01-4.15095466E+00 8.77916806E-02-6.69869960E-05 3 2.68868626E-08-4.44319074E-12-2.17012085E+04 4.67080027E+01 4 HOOC6H12OOP TH0604C 6H 13O 4 G 300.000 5000.000 1389.00 1 2.88663525E+01 2.94356888E-02-1.02592701E-05 1.61295316E-09-9.44028919E-14 2 -3.86708004E+04-1.17206273E+02 1.22283048E+00 9.72497624E-02-7.61745769E-05 3 3.17103607E-08-5.47653920E-12-2.92533165E+04 3.03469513E+01 4 C4H8VCHOB TH0604C 5H 9O 1 G 300.000 5000.000 1390.00 1 1.68273226E+01 2.04793169E-02-7.05744614E-06 1.10126728E-09-6.41208908E-14 2 -1.66840959E+04-6.30304795E+01 3.67625055E-01 5.76505901E-02-3.90962295E-05 3 1.37105902E-08-1.98479730E-12-1.08075529E+04 2.58768505E+01 4 C4H8QCHOA TH0604C 5H 9O 1 G 300.000 5000.000 1397.00 1 1.79671324E+01 1.94196331E-02-6.67362589E-06 1.03960925E-09-6.04650453E-14 2 -1.33368549E+04-6.86769877E+01-9.61810748E-01 6.42187048E-02-4.71055053E-05 3 1.75906984E-08-2.65260044E-12-6.86517064E+03 3.27038838E+01 4 C6H12VCHOA TH0604C 7H 13O 1 G 300.000 5000.000 1389.00 1 2.32700797E+01 2.93511124E-02-1.00983306E-05 1.57403031E-09-9.15756731E-14 2 -2.68060243E+04-9.55914674E+01 6.81087713E-01 7.99489693E-02-5.33160354E-05 3 1.84293806E-08-2.63843709E-12-1.86858473E+04 2.65936923E+01 4 C6H13VCOC TH0604C 7H 13O 1 G 300.000 5000.000 1390.00 1 2.30033871E+01 2.98188180E-02-1.03121418E-05 1.61279952E-09-9.40491474E-14 2 -3.05602473E+04-9.54687355E+01-5.86045008E-01 8.35403723E-02-5.75189103E-05 3 2.07921888E-08-3.14355427E-12-2.21433550E+04 3.18569630E+01 4 C6H13VCOD TH0604C 7H 13O 1 G 300.000 5000.000 1394.00 1 2.44381261E+01 2.85561085E-02-9.86873387E-06 1.54292553E-09-8.99587821E-14 2 -3.02665953E+04-1.05357994E+02-2.76516459E+00 9.40302145E-02-7.09421863E-05 3 2.78078239E-08-4.46894022E-12-2.09993118E+04 4.00790248E+01 4 C5H9C TH0604C 5H 9 G 300.000 5000.000 1385.00 1 1.45618383E+01 2.05117991E-02-7.11918221E-06 1.11610741E-09-6.51936315E-14 2 5.04298240E+03-5.45960123E+01-3.03556603E-01 5.21752688E-02-3.24901088E-05 3 1.02979423E-08-1.34666985E-12 1.05905223E+04 2.64593977E+01 4 SC4H9 TH0604C 4H 9 G 300.000 5000.000 1373.00 1 1.18310547E+01 1.94185396E-02-6.55763091E-06 1.00976983E-09-5.82620047E-14 2 1.79230067E+03-3.68284257E+01 7.75457198E-01 3.86006626E-02-1.56618141E-05 3 6.83553877E-10 7.08686446E-13 6.28737266E+03 2.48898326E+01 4 C6H12OOHS TH0604C 6H 13O 2 G 300.000 5000.000 1387.00 1 2.59899889E+01 2.60590974E-02-8.85705091E-06 1.37061939E-09-7.93825421E-14 2 -2.17553438E+04-1.07811994E+02-7.50255168E-01 8.81389954E-02-6.31582883E-05 3 2.26415236E-08-3.22941890E-12-1.25299672E+04 3.57733162E+01 4 C6H12OOHT TH0604C 6H 13O 2 G 300.000 5000.000 1393.00 1 2.57596205E+01 2.71513412E-02-9.41533914E-06 1.47537586E-09-8.61551327E-14 2 -2.02918269E+04-1.07051973E+02-7.56845328E-01 9.14438671E-02-7.00834928E-05 3 2.79595274E-08-4.57651472E-12-1.12896257E+04 3.45729770E+01 4 C6H12OOHU TH0604C 6H 13O 2 G 300.000 5000.000 1393.00 1 2.57596205E+01 2.71513412E-02-9.41533914E-06 1.47537586E-09-8.61551327E-14 2 -2.02918269E+04-1.07051973E+02-7.56845328E-01 9.14438671E-02-7.00834928E-05 3 2.79595274E-08-4.57651472E-12-1.12896257E+04 3.45729770E+01 4 C6H13OOHF TH0604C 6H 14O 2 G 300.000 5000.000 1393.00 1 2.61737509E+01 2.93041055E-02-1.01483601E-05 1.58880322E-09-9.27196899E-14 2 -4.53568985E+04-1.12132298E+02-1.50665894E+00 9.59185224E-02-7.24568367E-05 3 2.85395266E-08-4.62258391E-12-3.59058822E+04 3.58925798E+01 4 C5H11E TH0604C 5H 11 G 300.000 5000.000 1378.00 1 1.39073538E+01 2.54248427E-02-8.74282144E-06 1.36201381E-09-7.92032665E-14 2 -4.05169016E+03-4.79603862E+01 2.43126928E+00 4.24279476E-02-1.30348910E-05 3 -1.99027314E-09 1.29850718E-12 1.01531383E+03 1.73200141E+01 4 C6H12CYOL TH0604C 6H 12O 1 G 300.000 5000.000 1401.00 1 2.19533714E+01 2.61851846E-02-8.99817891E-06 1.40148529E-09-8.14964778E-14 2 -3.19623926E+04-9.62197065E+01-5.54768535E+00 9.61109243E-02-7.81721900E-05 3 3.28612754E-08-5.58455439E-12-2.30116046E+04 4.94086166E+01 4 HOOC6H12OOQ TH0604C 6H 13O 4 G 300.000 5000.000 1392.00 1 3.02940180E+01 2.82119938E-02-9.83556627E-06 1.54672119E-09-9.05448501E-14 2 -4.06010814E+04-1.28520546E+02-1.85556049E-01 1.05727116E-01-8.76310009E-05 3 3.78925943E-08-6.67271029E-12-3.05640505E+04 3.30759599E+01 4 C6H12CYOM TH0604C 6H 12O 1 G 300.000 5000.000 1402.00 1 2.02579430E+01 2.80231313E-02-9.53883154E-06 1.47666484E-09-8.55170092E-14 2 -4.05854156E+04-8.79091326E+01-8.32722833E+00 9.72559445E-02-7.34392260E-05 3 2.81534457E-08-4.32811486E-12-3.10236089E+04 6.45390300E+01 4 HOOC6H12OOR TH0604C 6H 13O 4 G 300.000 5000.000 1390.00 1 2.96079301E+01 2.88354493E-02-1.00596368E-05 1.58263447E-09-9.26738524E-14 2 -3.82174270E+04-1.22636678E+02 4.71513146E-01 1.00984556E-01-8.05337160E-05 3 3.37456606E-08-5.81602879E-12-2.84052724E+04 3.25683084E+01 4 C6H12VCHOB TH0604C 7H 13O 1 G 300.000 5000.000 1395.00 1 2.46623350E+01 2.80832505E-02-9.64396733E-06 1.50148464E-09-8.72906199E-14 2 -2.68189995E+04-1.05874137E+02-1.49915668E+00 9.06616789E-02-6.72882543E-05 3 2.58318756E-08-4.05037394E-12-1.78984797E+04 3.40792155E+01 4 C7H14CYOM TH0604C 7H 14O 1 G 300.000 5000.000 1398.00 1 2.61451779E+01 3.00646606E-02-1.03859006E-05 1.62331514E-09-9.46259638E-14 2 -3.86507016E+04-1.18720519E+02-7.25549501E+00 1.17277946E-01-9.97009009E-05 3 4.38320623E-08-7.76316639E-12-2.79539544E+04 5.74295888E+01 4 HOOC7H14OOT TH0604C 7H 15O 4 G 300.000 5000.000 1394.00 1 3.41666686E+01 3.20890228E-02-1.11618329E-05 1.75263885E-09-1.02491914E-13 2 -4.70928853E+04-1.49004718E+02-9.41212214E-01 1.22168833E-01-1.02231944E-04 3 4.45030491E-08-7.86099705E-12-3.56333170E+04 3.68106462E+01 4 C7H14CYON TH0604C 7H 14O 1 G 300.000 5000.000 1404.00 1 2.37187698E+01 3.25357070E-02-1.11426699E-05 1.73160589E-09-1.00537290E-13 2 -4.69287107E+04-1.06088975E+02-8.73319984E+00 1.12427206E-01-8.68408732E-05 3 3.44692084E-08-5.53123073E-12-3.61506723E+04 6.66082659E+01 4 HOOC7H14OOU TH0604C 7H 15O 4 G 300.000 5000.000 1392.00 1 3.35004248E+01 3.27052873E-02-1.13855780E-05 1.78872718E-09-1.04640291E-13 2 -4.47248580E+04-1.43255704E+02-4.32968372E-01 1.18001351E-01-9.58878675E-05 3 4.07828325E-08-7.09284074E-12-3.34498739E+04 3.70081622E+01 4 C7H14CYOO TH0604C 7H 14O 1 G 300.000 5000.000 1400.00 1 2.50896842E+01 3.06903228E-02-1.05417179E-05 1.64138055E-09-9.54244693E-14 2 -3.60385543E+04-1.11604662E+02-5.61763169E+00 1.07663314E-01-8.55437263E-05 3 3.52643366E-08-5.90358264E-12-2.59239596E+04 5.14102595E+01 4 HOOC7H14OOV TH0604C 7H 15O 4 G 300.000 5000.000 1392.00 1 3.35004248E+01 3.27052873E-02-1.13855780E-05 1.78872718E-09-1.04640291E-13 2 -4.47248580E+04-1.44353903E+02-4.32968372E-01 1.18001351E-01-9.58878675E-05 3 4.07828325E-08-7.09284074E-12-3.34498739E+04 3.59099627E+01 4 C5H10VCHOB TH0604C 6H 11O 1 G 300.000 5000.000 1396.00 1 2.14953400E+01 2.35858165E-02-8.09902417E-06 1.26094689E-09-7.33080771E-14 2 -2.27218786E+04-9.02921723E+01-1.30964069E+00 7.86209089E-02-5.92753127E-05 3 2.30595464E-08-3.65289832E-12-1.50050414E+04 3.15153198E+01 4 C5H11F TH0604C 5H 11 G 300.000 5000.000 1390.00 1 1.53337544E+01 2.41837717E-02-8.30839438E-06 1.29356324E-09-7.51923392E-14 2 -2.18809439E+03-5.62125262E+01-4.25872732E-01 5.79747611E-02-3.56075292E-05 3 1.12561377E-08-1.47379884E-12 3.66620325E+03 2.96303727E+01 4 C5H11OOD TH0604C 5H 11O 2 G 300.000 5000.000 1388.00 1 1.91590590E+01 2.58593453E-02-8.94299931E-06 1.39856394E-09-8.15481366E-14 2 -2.00839130E+04-7.16244980E+01 7.71379677E-01 6.77685836E-02-4.65084263E-05 3 1.73120113E-08-2.76610157E-12-1.34479467E+04 2.77440116E+01 4 C5H11OD TH0604C 5H 11O 1 G 300.000 5000.000 1392.00 1 1.76091864E+01 2.44906583E-02-8.34946140E-06 1.29349886E-09-7.49351739E-14 2 -1.95852142E+04-6.67919057E+01-9.17427889E-01 6.67942432E-02-4.52635582E-05 3 1.59982983E-08-2.33760289E-12-1.30300117E+04 3.30929879E+01 4 COC5H11OOHJ TH0604C 6H 12O 3 G 300.000 5000.000 1389.00 1 2.64305208E+01 2.68829104E-02-9.39093312E-06 1.47878618E-09-8.66495241E-14 2 -5.87000786E+04-1.08911615E+02-6.10618682E-01 9.17598363E-02-7.01188292E-05 3 2.78904686E-08-4.56996584E-12-4.94193407E+04 3.58141259E+01 4 COC5H11OOHK TH0604C 6H 12O 3 G 300.000 5000.000 1386.00 1 2.59640782E+01 2.72837966E-02-9.52898673E-06 1.50020727E-09-8.78882892E-14 2 -6.03088569E+04-1.06219546E+02 1.83697449E+00 8.41216990E-02-6.23009607E-05 3 2.45721728E-08-4.07256182E-12-5.18353933E+04 2.34299526E+01 4 COC5H11OOHL TH0604C 6H 12O 3 G 300.000 5000.000 1384.00 1 2.52519976E+01 2.78536730E-02-9.71800059E-06 1.52893683E-09-8.95302456E-14 2 -5.67360476E+04-1.00848026E+02 1.87802814E+00 8.07338306E-02-5.61398069E-05 3 2.05379475E-08-3.16568497E-12-4.83218421E+04 2.55069915E+01 4 C4H10CCOC TH0604C 6H 10O 1 G 300.000 5000.000 1398.00 1 1.99973038E+01 2.27369787E-02-7.80287395E-06 1.21406769E-09-7.05424858E-14 2 -2.78500257E+04-7.86275383E+01-1.08089509E+00 7.63991088E-02-6.15145620E-05 3 2.61454832E-08-4.54370741E-12-2.09337232E+04 3.30702961E+01 4 COC5H11OOHM TH0604C 6H 12O 3 G 300.000 5000.000 1388.00 1 2.56233112E+01 2.76655302E-02-9.68175797E-06 1.52630321E-09-8.95004367E-14 2 -5.54823165E+04-1.03119768E+02-3.88045507E+00 1.05568656E-01-9.22734612E-05 3 4.25647422E-08-7.96960499E-12-4.59152161E+04 5.25193607E+01 4 SC4H9OO TH0604C 4H 9O 2 G 300.000 5000.000 1389.00 1 1.64027615E+01 2.09361135E-02-7.23386843E-06 1.13057321E-09-6.58925963E-14 2 -1.70974259E+04-5.77947779E+01 1.32382201E+00 5.62945323E-02-4.01982805E-05 3 1.57293449E-08-2.63337251E-12-1.17456197E+04 2.33566602E+01 4 SC4H9O TH0604C 4H 9O 1 G 300.000 5000.000 1395.00 1 1.46372218E+01 2.00252790E-02-6.85615154E-06 1.06499812E-09-6.18066909E-14 2 -1.65482891E+04-5.18234255E+01-2.81509961E-01 5.51613542E-02-3.90859016E-05 3 1.47988685E-08-2.34852945E-12-1.13462349E+04 2.82801705E+01 4 C5H10D TH0604C 5H 10 G 300.000 5000.000 1385.00 1 1.39949099E+01 2.29436730E-02-7.82545455E-06 1.21251113E-09-7.02459291E-14 2 -1.31579340E+04-5.04100391E+01 1.20444153E+00 4.78803480E-02-2.48037370E-05 3 5.72767968E-09-3.89434077E-13-8.15273336E+03 2.01511063E+01 4 C6H12CYON TH0604C 6H 12O 1 G 300.000 5000.000 1405.00 1 2.11551782E+01 2.71045152E-02-9.27587655E-06 1.44081484E-09-8.36267631E-14 2 -3.27368357E+04-9.23270862E+01-6.71838822E+00 9.66261686E-02-7.61365080E-05 3 3.08094721E-08-5.02966654E-12-2.35753256E+04 5.56761248E+01 4 HOOC6H12OOS TH0604C 6H 13O 4 G 300.000 5000.000 1392.00 1 3.02940180E+01 2.82119938E-02-9.83556627E-06 1.54672119E-09-9.05448501E-14 2 -4.06010814E+04-1.27421143E+02-1.85556049E-01 1.05727116E-01-8.76310009E-05 3 3.78925943E-08-6.67271029E-12-3.05640505E+04 3.41753622E+01 4 HOOC6H12OOT TH0604C 6H 13O 4 G 300.000 5000.000 1390.00 1 2.96079301E+01 2.88354493E-02-1.00596368E-05 1.58263447E-09-9.26738524E-14 2 -3.82174270E+04-1.22636678E+02 4.71513146E-01 1.00984556E-01-8.05337160E-05 3 3.37456606E-08-5.81602879E-12-2.84052724E+04 3.25683084E+01 4 C6H12CYOO TH0604C 6H 12O 1 G 300.000 5000.000 1401.00 1 2.08014007E+01 2.71968753E-02-9.26552880E-06 1.43510214E-09-8.31375704E-14 2 -3.04706796E+04-8.94005941E+01-6.43704492E+00 9.32525925E-02-7.04669844E-05 3 2.71531587E-08-4.21054880E-12-2.13525066E+04 5.58608424E+01 4 HOOC6H12OOU TH0604C 6H 13O 4 G 300.000 5000.000 1390.00 1 2.96079301E+01 2.88354493E-02-1.00596368E-05 1.58263447E-09-9.26738524E-14 2 -3.82174270E+04-1.22636678E+02 4.71513146E-01 1.00984556E-01-8.05337160E-05 3 3.37456606E-08-5.81602879E-12-2.84052724E+04 3.25683084E+01 4 C5H11OOE TH0604C 5H 11O 2 G 300.000 5000.000 1389.00 1 1.98913118E+01 2.52444851E-02-8.73226614E-06 1.36579550E-09-7.96446891E-14 2 -2.36586831E+04-7.71007250E+01 5.49039145E-01 7.19666889E-02-5.38576923E-05 3 2.20515473E-08-3.82138017E-12-1.69342865E+04 2.65039669E+01 4 C5H11OE TH0604C 5H 11O 1 G 300.000 5000.000 1394.00 1 1.82227035E+01 2.40886043E-02-8.23533509E-06 1.27810379E-09-7.41323340E-14 2 -2.31252613E+04-7.16229822E+01-9.65917658E-01 7.02580578E-02-5.16598101E-05 3 2.02692538E-08-3.31343014E-12-1.65430795E+04 3.10429649E+01 4 CHOC5H10OOHD TH0604C 6H 12O 3 G 300.000 5000.000 1394.00 1 2.81516301E+01 2.53353376E-02-8.83834388E-06 1.39059692E-09-8.14369378E-14 2 -5.68705743E+04-1.21096933E+02-1.99244059E+00 1.02355508E-01-8.58917887E-05 3 3.70221723E-08-6.43995224E-12-4.70514500E+04 3.84734258E+01 4 CHOC5H10OOHE TH0604C 6H 12O 3 G 300.000 5000.000 1390.00 1 2.70377627E+01 2.61021683E-02-9.06278070E-06 1.42142093E-09-8.30603120E-14 2 -5.49069302E+04-1.12239522E+02 6.64817301E-01 9.03983173E-02-7.02969209E-05 3 2.84899727E-08-4.73986193E-12-4.59737161E+04 2.85206671E+01 4 C5H12CCOC TH0604C 7H 12O 1 G 300.000 5000.000 1407.00 1 2.48760393E+01 2.54429045E-02-8.65868218E-06 1.33990569E-09-7.75666665E-14 2 -3.39219103E+04-1.06981288E+02-2.49548750E+00 9.60670086E-02-7.91745690E-05 3 3.35050203E-08-5.68907841E-12-2.51702105E+04 3.75050531E+01 4 COC6H13OOHM TH0604C 7H 14O 3 G 300.000 5000.000 1393.00 1 3.10591683E+01 3.01726778E-02-1.05274351E-05 1.65647160E-09-9.70106285E-14 2 -6.47422359E+04-1.36011690E+02-2.84604546E+00 1.15465295E-01-9.46096791E-05 3 4.00743620E-08-6.89459488E-12-5.35391801E+04 4.39851851E+01 4 COC6H13OOHN TH0604C 7H 14O 3 G 300.000 5000.000 1389.00 1 2.98515606E+01 3.10732238E-02-1.08094473E-05 1.69743389E-09-9.92695989E-14 2 -6.27481479E+04-1.26631239E+02 1.56054721E-01 1.01935760E-01-7.67470092E-05 3 3.02099574E-08-4.91523772E-12-5.25119100E+04 3.24468702E+01 4 COC6H13OOHO TH0604C 7H 14O 3 G 300.000 5000.000 1391.00 1 3.01705749E+01 3.09866337E-02-1.08204517E-05 1.70341344E-09-9.97903265E-14 2 -6.14815771E+04-1.29720606E+02-5.46776770E+00 1.26202963E-01-1.12103302E-04 3 5.18157512E-08-9.63840589E-12-5.01274810E+04 5.77308392E+01 4 C5H11OOF TH0604C 5H 11O 2 G 300.000 5000.000 1388.00 1 1.91590590E+01 2.58593453E-02-8.94299931E-06 1.39856394E-09-8.15481366E-14 2 -2.00839130E+04-7.16244980E+01 7.71379677E-01 6.77685836E-02-4.65084263E-05 3 1.73120113E-08-2.76610157E-12-1.34479467E+04 2.77440116E+01 4 C5H11OF TH0604C 5H 11O 1 G 300.000 5000.000 1392.00 1 1.76091864E+01 2.44906583E-02-8.34946140E-06 1.29349886E-09-7.49351739E-14 2 -1.95852142E+04-6.67919057E+01-9.17427889E-01 6.67942432E-02-4.52635582E-05 3 1.59982983E-08-2.33760289E-12-1.30300117E+04 3.30929879E+01 4 C5H10E TH0604C 5H 10 G 300.000 5000.000 1394.00 1 1.45905810E+01 2.26261919E-02-7.75644791E-06 1.20586692E-09-7.00232313E-14 2 -1.11380246E+04-5.38829141E+01-1.65676833E+00 6.00152285E-02-4.10920292E-05 3 1.49824381E-08-2.29796440E-12-5.37657418E+03 3.36795513E+01 4 C5H10OOHI TH0604C 5H 11O 2 G 300.000 5000.000 1378.00 1 2.13137123E+01 2.29680737E-02-7.82222090E-06 1.21210539E-09-7.02667347E-14 2 -1.57141277E+04-8.16022736E+01 9.31313955E-01 6.71560473E-02-4.29633627E-05 3 1.32860470E-08-1.56046032E-12-8.33332797E+03 2.90152457E+01 4 C5H10OOHJ TH0604C 5H 11O 2 G 300.000 5000.000 1378.00 1 1.97803723E+01 2.51034724E-02-8.72788542E-06 1.36990849E-09-8.00841588E-14 2 -1.61479251E+04-7.32529955E+01 3.97883538E+00 5.41351819E-02-2.60870891E-05 3 4.51518287E-09 6.65503159E-14-9.77726871E+03 1.45669570E+01 4 C5H10OOHK TH0604C 5H 11O 2 G 300.000 5000.000 1388.00 1 2.11877396E+01 2.38823716E-02-8.30112084E-06 1.30272924E-09-7.61501355E-14 2 -1.42875807E+04-8.14208355E+01 7.30526444E-01 7.12670621E-02-5.09642183E-05 3 1.91729881E-08-3.01467575E-12-7.06369030E+03 2.87240077E+01 4 C5H11OOHD TH0604C 5H 12O 2 G 300.000 5000.000 1389.00 1 2.15923498E+01 2.60409244E-02-9.03557276E-06 1.41631660E-09-8.27213069E-14 2 -3.93446914E+04-8.64386211E+01 1.05926771E-01 7.52050062E-02-5.25583044E-05 3 1.92779227E-08-2.95701260E-12-3.16982163E+04 2.94595690E+01 4 C4H9QCOB TH0604C 5H 9O 1 G 300.000 5000.000 2019.00 1 1.36889362E+01 2.34151742E-02-8.21525675E-06 1.30393103E-09-7.69949550E-14 2 -1.44728687E+04-4.04211150E+01 2.19911758E+00 4.59960963E-02-2.23859661E-05 3 4.08635314E-09-3.10115911E-14-1.02903463E+04 2.24878009E+01 4 N2C4H8 TH0604C 4H 8 G 300.000 5000.000 1384.00 1 1.07863943E+01 1.84627595E-02-6.28279937E-06 9.72033311E-10-5.62566639E-14 2 -7.33750436E+03-3.44908732E+01 6.67816214E-01 3.76926275E-02-1.85845325E-05 3 3.70640410E-09-1.05606190E-13-3.33774461E+03 2.14906801E+01 4 C4H8OOHBC TH0604C 4H 9O 2 G 300.000 5000.000 1386.00 1 1.79731785E+01 1.91030065E-02-6.58956110E-06 1.02911472E-09-5.99604881E-14 2 -1.25350671E+04-6.45740578E+01 1.44191816E+00 5.62524927E-02-3.82285307E-05 3 1.32311380E-08-1.86676097E-12-6.63398061E+03 2.47535653E+01 4 C4H8OOHBD TH0604C 4H 9O 2 G 300.000 5000.000 1390.00 1 1.84560873E+01 1.89540571E-02-6.59373571E-06 1.03537462E-09-6.05463169E-14 2 -1.13135972E+04-6.77429079E+01 1.01856034E+00 6.10486422E-02-4.65658058E-05 3 1.87934876E-08-3.15057842E-12-5.32369969E+03 2.55436540E+01 4 C4H8OOHBA TH0604C 4H 9O 2 G 300.000 5000.000 1390.00 1 1.84560873E+01 1.89540571E-02-6.59373571E-06 1.03537462E-09-6.05463169E-14 2 -1.13135972E+04-6.77429079E+01 1.01856034E+00 6.10486422E-02-4.65658058E-05 3 1.87934876E-08-3.15057842E-12-5.32369969E+03 2.55436540E+01 4 SC4H9OOH TH0604C 4H 10O 2 G 300.000 5000.000 1390.00 1 1.88591832E+01 2.11205390E-02-7.33238251E-06 1.14976797E-09-6.71705087E-14 2 -3.63741978E+04-7.27591759E+01 3.42198464E-01 6.51985526E-02-4.84681436E-05 3 1.90911502E-08-3.13618085E-12-2.99510539E+04 2.65230212E+01 4 CHOC5H10OOHF TH0604C 6H 12O 3 G 300.000 5000.000 1394.00 1 2.81056948E+01 2.53992081E-02-8.86650963E-06 1.39568306E-09-8.17626049E-14 2 -5.70623527E+04-1.19611251E+02-1.32414118E+00 9.82923349E-02-7.90200280E-05 3 3.25074940E-08-5.41416693E-12-4.72727380E+04 3.69495635E+01 4 CHOC5H10OOHG TH0604C 6H 12O 3 G 300.000 5000.000 1392.00 1 2.72624401E+01 2.60913621E-02-9.09947452E-06 1.43140596E-09-8.38154840E-14 2 -5.45823381E+04-1.13842241E+02-3.99040008E-01 9.25095429E-02-7.07667085E-05 3 2.77824315E-08-4.44570224E-12-4.51567623E+04 3.40790216E+01 4 CHOC5H10OOHH TH0604C 6H 12O 3 G 300.000 5000.000 1392.00 1 2.72624401E+01 2.60913621E-02-9.09947452E-06 1.43140596E-09-8.38154840E-14 2 -5.45823381E+04-1.13842241E+02-3.99040008E-01 9.25095429E-02-7.07667085E-05 3 2.77824315E-08-4.44570224E-12-4.51567623E+04 3.40790216E+01 4 C5H10OOHL TH0604C 5H 11O 2 G 300.000 5000.000 1383.00 1 2.18882364E+01 2.26149407E-02-7.72602337E-06 1.19943880E-09-6.96145978E-14 2 -1.92322057E+04-8.62031181E+01 7.91573062E-01 7.10367780E-02-4.99839854E-05 3 1.79375728E-08-2.61750375E-12-1.18329174E+04 2.73853808E+01 4 C5H10OOHM TH0604C 5H 11O 2 G 300.000 5000.000 1390.00 1 2.19197788E+01 2.32721056E-02-8.09297046E-06 1.27046957E-09-7.42806368E-14 2 -1.78641068E+04-8.68997906E+01 5.13273494E-01 7.54354886E-02-5.82668086E-05 3 2.38868822E-08-4.06530911E-12-1.05505918E+04 2.74619675E+01 4 C5H10OOHN TH0604C 5H 11O 2 G 300.000 5000.000 1390.00 1 2.19197788E+01 2.32721056E-02-8.09297046E-06 1.27046957E-09-7.42806368E-14 2 -1.78641068E+04-8.68997906E+01 5.13273494E-01 7.54354886E-02-5.82668086E-05 3 2.38868822E-08-4.06530911E-12-1.05505918E+04 2.74619675E+01 4 C5H11OOHE TH0604C 5H 12O 2 G 300.000 5000.000 1390.00 1 2.23407630E+01 2.54348780E-02-8.83286107E-06 1.38531835E-09-8.09418676E-14 2 -4.29328879E+04-9.20274379E+01-3.94381837E-01 8.06662694E-02-6.18064926E-05 3 2.52107859E-08-4.27923592E-12-3.51432788E+04 2.95010495E+01 4 C2H5COCH3 TH0604C 4H 8O 1 G 300.000 5000.000 1379.00 1 1.30640212E+01 1.89071828E-02-6.49373914E-06 1.01104979E-09-5.87776668E-14 2 -3.52520706E+04-4.29590182E+01 1.45305491E+00 4.19795201E-02-2.30048069E-05 3 5.99785419E-09-5.80072713E-13-3.07339791E+04 2.09724993E+01 4 C4H8QCHOB TH0604C 5H 9O 1 G 300.000 5000.000 2003.00 1 1.30811208E+01 2.40131721E-02-8.43344518E-06 1.33871112E-09-7.90314139E-14 2 -1.24757026E+04-3.77513881E+01 4.47287059E+00 3.79596842E-02-1.31549808E-05 3 -3.57727598E-10 7.44065868E-13-9.04352736E+03 1.04605790E+01 4 C5H11QCOB TH0604C 6H 11O 1 G 300.000 5000.000 1371.00 1 1.77056499E+01 2.67621479E-02-9.18472402E-06 1.42932610E-09-8.30663666E-14 2 -2.14230126E+04-6.29726299E+01 4.31434219E+00 4.74939613E-02-1.58749239E-05 3 -1.41425691E-09 1.29569585E-12-1.56249212E+04 1.28458329E+01 4 C5H10OOHO TH0604C 5H 11O 2 G 300.000 5000.000 1378.00 1 1.97803723E+01 2.51034724E-02-8.72788542E-06 1.36990849E-09-8.00841588E-14 2 -1.61479251E+04-7.25601556E+01 3.97883538E+00 5.41351819E-02-2.60870891E-05 3 4.51518287E-09 6.65503159E-14-9.77726871E+03 1.52597970E+01 4 C5H10OOHP TH0604C 5H 11O 2 G 300.000 5000.000 1378.00 1 2.13137123E+01 2.29680737E-02-7.82222090E-06 1.21210539E-09-7.02667347E-14 2 -1.57141277E+04-8.16022736E+01 9.31313955E-01 6.71560473E-02-4.29633627E-05 3 1.32860470E-08-1.56046032E-12-8.33332797E+03 2.90152457E+01 4 C5H10OOHQ TH0604C 5H 11O 2 G 300.000 5000.000 1388.00 1 2.11877396E+01 2.38823716E-02-8.30112084E-06 1.30272924E-09-7.61501355E-14 2 -1.42875807E+04-8.14208355E+01 7.30526444E-01 7.12670621E-02-5.09642183E-05 3 1.91729881E-08-3.01467575E-12-7.06369030E+03 2.87240077E+01 4 C5H10OOHR TH0604C 5H 11O 2 G 300.000 5000.000 1388.00 1 2.11877396E+01 2.38823716E-02-8.30112084E-06 1.30272924E-09-7.61501355E-14 2 -1.42875807E+04-8.14208355E+01 7.30526444E-01 7.12670621E-02-5.09642183E-05 3 1.91729881E-08-3.01467575E-12-7.06369030E+03 2.87240077E+01 4 C5H11OOHF TH0604C 5H 12O 2 G 300.000 5000.000 1389.00 1 2.15923498E+01 2.60409244E-02-9.03557276E-06 1.41631660E-09-8.27213069E-14 2 -3.93446914E+04-8.64386211E+01 1.05926771E-01 7.52050062E-02-5.25583044E-05 3 1.92779227E-08-2.95701260E-12-3.16982163E+04 2.94595690E+01 4 C5H9D TH0604C 5H 9 G 300.000 5000.000 1384.00 1 1.41977446E+01 2.08905230E-02-7.26593040E-06 1.14074987E-09-6.67005789E-14 2 4.68047209E+03-5.39161958E+01-1.12025999E+00 5.26915431E-02-3.15758239E-05 3 9.26881922E-09-1.06897778E-12 1.04681034E+04 2.98813491E+01 4 C5H10CYOG TH0604C 5H 10O 1 G 300.000 5000.000 1397.00 1 1.74164851E+01 2.29380739E-02-7.90229157E-06 1.23277529E-09-7.17626982E-14 2 -2.59637320E+04-6.96830024E+01-4.03515034E+00 7.61822367E-02-5.96000433E-05 3 2.44901518E-08-4.12695312E-12-1.87989347E+04 4.44613545E+01 4 HOOC5H10OOI TH0604C 5H 11O 4 G 300.000 5000.000 1388.00 1 2.57737357E+01 2.48449379E-02-8.67552861E-06 1.36567583E-09-8.00004223E-14 2 -3.45648996E+04-1.01967010E+02 1.72770825E+00 8.44505090E-02-6.74008245E-05 3 2.85717799E-08-5.01051432E-12-2.64250186E+04 2.61816779E+01 4 C5H10CYOH TH0604C 5H 10O 1 G 300.000 5000.000 1397.00 1 1.66924510E+01 2.37851879E-02-8.15316298E-06 1.26772841E-09-7.36308429E-14 2 -2.79550016E+04-6.77677673E+01-4.77459324E+00 7.56243154E-02-5.65525929E-05 3 2.20348309E-08-3.51700857E-12-2.06750001E+04 4.69130930E+01 4 HOOC5H10OOJ TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.57781661E+01 2.48805068E-02-8.69662422E-06 1.36989714E-09-8.02840574E-14 2 -3.57804985E+04-1.02505070E+02 2.05141014E+00 8.35135420E-02-6.64417392E-05 3 2.81884048E-08-4.96233183E-12-2.77109192E+04 2.40397027E+01 4 C5H10CYOI TH0604C 5H 10O 1 G 300.000 5000.000 1397.00 1 1.55543062E+01 2.49710021E-02-8.52031257E-06 1.32095469E-09-7.65735575E-14 2 -3.45322469E+04-6.15428071E+01-6.64386005E+00 7.62812274E-02-5.32890798E-05 3 1.88440157E-08-2.67214407E-12-2.68275611E+04 5.77698638E+01 4 HOOC5H10OOK TH0604C 5H 11O 4 G 300.000 5000.000 1386.00 1 2.50632430E+01 2.54939152E-02-8.90972349E-06 1.40332788E-09-8.22377423E-14 2 -3.22101821E+04-9.71306115E+01 2.08764240E+00 8.02620868E-02-6.05768090E-05 3 2.43976141E-08-4.12070832E-12-2.41986240E+04 2.61146848E+01 4 C4H8CYOBC TH0604C 4H 8O 1 G 300.000 5000.000 1402.00 1 1.45434013E+01 1.79734128E-02-6.14804361E-06 9.54553853E-10-5.53831390E-14 2 -2.28912812E+04-5.50776592E+01-3.04909720E+00 6.27344471E-02-5.05208062E-05 3 2.11977794E-08-3.60884058E-12-1.71606331E+04 3.80831998E+01 4 HOOC4H8OOBC TH0604C 4H 9O 4 G 300.000 5000.000 1389.00 1 2.29937648E+01 1.99251251E-02-6.96371267E-06 1.09684971E-09-6.42789592E-14 2 -3.15489949E+04-8.79564500E+01 2.19514062E+00 7.36678688E-02-6.24359913E-05 3 2.79356800E-08-5.10139364E-12-2.47179563E+04 2.21256116E+01 4 HOOC4H8OOBD TH0604C 4H 9O 4 G 300.000 5000.000 1386.00 1 2.23383388E+01 2.05275162E-02-7.18187930E-06 1.13200420E-09-6.63710270E-14 2 -2.91965294E+04-8.33888508E+01 2.88966629E+00 6.84317853E-02-5.42779060E-05 3 2.30083846E-08-4.05565323E-12-2.25563294E+04 2.04116617E+01 4 HOOC4H8OOBA TH0604C 4H 9O 4 G 300.000 5000.000 1386.00 1 2.23383388E+01 2.05275162E-02-7.18187930E-06 1.13200420E-09-6.63710270E-14 2 -2.91965294E+04-8.33888508E+01 2.88966629E+00 6.84317853E-02-5.42779060E-05 3 2.30083846E-08-4.05565323E-12-2.25563294E+04 2.04116617E+01 4 C4H8VCHOC TH0604C 5H 9O 1 G 300.000 5000.000 1386.00 1 1.66745665E+01 2.06570326E-02-7.12860089E-06 1.11333880E-09-6.48608682E-14 2 -1.73711296E+04-6.15487127E+01 1.91750348E+00 5.23419011E-02-3.27085793E-05 3 1.04175921E-08-1.36338533E-12-1.19042565E+04 1.88012220E+01 4 C5H10CYOJ TH0604C 5H 10O 1 G 300.000 5000.000 1400.00 1 1.79886863E+01 2.23068608E-02-7.65225899E-06 1.19037012E-09-6.91565230E-14 2 -2.94303497E+04-7.41230354E+01-3.47997329E+00 7.67749321E-02-6.16967940E-05 3 2.59586362E-08-4.44839036E-12-2.23971301E+04 3.96602727E+01 4 HOOC5H10OOL TH0604C 5H 11O 4 G 300.000 5000.000 1390.00 1 2.63945722E+01 2.43059655E-02-8.48687255E-06 1.33593042E-09-7.82560114E-14 2 -3.81283720E+04-1.06873833E+02 1.10501549E+00 8.96076381E-02-7.57589764E-05 3 3.37935159E-08-6.15149157E-12-2.98266181E+04 2.69786997E+01 4 HOOC5H10OOM TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.57781661E+01 2.48805068E-02-8.69662422E-06 1.36989714E-09-8.02840574E-14 2 -3.57804985E+04-1.02505070E+02 2.05141014E+00 8.35135420E-02-6.64417392E-05 3 2.81884048E-08-4.96233183E-12-2.77109192E+04 2.40397027E+01 4 C5H10CYOK TH0604C 5H 10O 1 G 300.000 5000.000 1397.00 1 1.73845715E+01 2.28546506E-02-7.84902435E-06 1.22190694E-09-7.10264359E-14 2 -2.70875685E+04-6.98296575E+01-2.85577019E+00 7.20133753E-02-5.42632433E-05 3 2.14593231E-08-3.49136730E-12-2.02300305E+04 3.82341096E+01 4 HOOC5H10OON TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.57781661E+01 2.48805068E-02-8.69662422E-06 1.36989714E-09-8.02840574E-14 2 -3.57804985E+04-1.02505070E+02 2.05141014E+00 8.35135420E-02-6.64417392E-05 3 2.81884048E-08-4.96233183E-12-2.77109192E+04 2.40397027E+01 4 CH3CHCOCH3 TH0604C 4H 7O 1 G 300.000 5000.000 1384.00 1 1.31119342E+01 1.66460985E-02-5.78508614E-06 9.07768261E-10-5.30578000E-14 2 -1.51102056E+04-4.37417229E+01 1.01814398E+00 4.19188691E-02-2.53649707E-05 3 7.61799830E-09-9.16538454E-13-1.05527916E+04 2.23665581E+01 4 HOOC5H10OOO TH0604C 5H 11O 4 G 300.000 5000.000 1387.00 1 2.57781661E+01 2.48805068E-02-8.69662422E-06 1.36989714E-09-8.02840574E-14 2 -3.57804985E+04-1.02505070E+02 2.05141014E+00 8.35135420E-02-6.64417392E-05 3 2.81884048E-08-4.96233183E-12-2.77109192E+04 2.40397027E+01 4 C5H10CYOL TH0604C 5H 10O 1 G 300.000 5000.000 1400.00 1 1.65224131E+01 2.39343738E-02-8.20523298E-06 1.27588475E-09-7.41058384E-14 2 -2.67089605E+04-6.63545459E+01-5.10120052E+00 7.59132259E-02-5.62996275E-05 3 2.16360177E-08-3.39306866E-12-1.93686730E+04 4.92187414E+01 4 HOOC5H10OOP TH0604C 5H 11O 4 G 300.000 5000.000 1388.00 1 2.57737357E+01 2.48449379E-02-8.67552861E-06 1.36567583E-09-8.00004223E-14 2 -3.45648996E+04-1.01967010E+02 1.72770825E+00 8.44505090E-02-6.74008245E-05 3 2.85717799E-08-5.01051432E-12-2.64250186E+04 2.61816779E+01 4 HOOC5H10OOQ TH0604C 5H 11O 4 G 300.000 5000.000 1386.00 1 2.50632430E+01 2.54939152E-02-8.90972349E-06 1.40332788E-09-8.22377423E-14 2 -3.22101821E+04-9.71306115E+01 2.08764240E+00 8.02620868E-02-6.05768090E-05 3 2.43976141E-08-4.12070832E-12-2.41986240E+04 2.61146848E+01 4 C5H10CYOM TH0604C 5H 10O 1 G 300.000 5000.000 1396.00 1 1.61072090E+01 2.41336918E-02-8.24270427E-06 1.27868208E-09-7.41516573E-14 2 -2.44231605E+04-6.30896947E+01-4.77989650E+00 7.23913281E-02-5.04758150E-05 3 1.79367781E-08-2.57427461E-12-1.71536569E+04 4.92135232E+01 4 HOOC5H10OOR TH0604C 5H 11O 4 G 300.000 5000.000 1386.00 1 2.50632430E+01 2.54939152E-02-8.90972349E-06 1.40332788E-09-8.22377423E-14 2 -3.22101821E+04-9.71306115E+01 2.08764240E+00 8.02620868E-02-6.05768090E-05 3 2.43976141E-08-4.12070832E-12-2.41986240E+04 2.61146848E+01 4 CHOC4H8OOHE TH0604C 5H 10O 3 G 300.000 5000.000 1390.00 1 2.35504120E+01 2.20371897E-02-7.70224257E-06 1.21331603E-09-7.11131950E-14 2 -5.08413536E+04-9.41626320E+01 3.78971509E-02 7.96434486E-02-6.29110828E-05 3 2.57870359E-08-4.32695973E-12-4.29030498E+04 3.12338563E+01 4 CHOC4H8OOHF TH0604C 5H 10O 3 G 300.000 5000.000 1386.00 1 2.30970576E+01 2.24121686E-02-7.82811303E-06 1.23249964E-09-7.22081723E-14 2 -5.24538846E+04-9.15424903E+01 2.39622350E+00 7.23834922E-02-5.56313054E-05 3 2.27820824E-08-3.89467606E-12-4.53051310E+04 1.92668115E+01 4 CHOC4H8OOHG TH0604C 5H 10O 3 G 300.000 5000.000 1385.00 1 2.24023511E+01 2.29474195E-02-8.00087850E-06 1.25825216E-09-7.36591927E-14 2 -4.88847281E+04-8.62627317E+01 2.39022611E+00 6.91993116E-02-4.97494520E-05 3 1.88976904E-08-3.01605209E-12-4.17844200E+04 2.15623449E+01 4 COC3H7OOHBC TH0604C 4H 8O 3 G 300.000 5000.000 1387.00 1 1.99519560E+01 1.79557258E-02-6.31236131E-06 9.98236211E-10-5.86652343E-14 2 -4.92917503E+04-7.54875485E+01 4.54273991E-01 6.48693592E-02-5.04179869E-05 3 2.02917620E-08-3.35585118E-12-4.26112382E+04 2.88220403E+01 4 COC3H7OOHBD TH0604C 4H 8O 3 G 300.000 5000.000 1380.00 1 1.87656234E+01 1.89582863E-02-6.65607537E-06 1.05158491E-09-6.17566811E-14 2 -4.73319010E+04-6.73946715E+01 3.01960325E+00 5.34988614E-02-3.59402915E-05 3 1.26575912E-08-1.89603541E-12-4.15251663E+04 1.81609248E+01 4 COC3H7OOHBA TH0604C 4H 8O 3 G 300.000 5000.000 1386.00 1 1.87751907E+01 1.89741440E-02-6.66696675E-06 1.05385845E-09-6.19125382E-14 2 -4.59313400E+04-6.75552034E+01-1.84732253E+00 7.35344318E-02-6.48821300E-05 3 3.02425995E-08-5.72056166E-12-3.92274728E+04 4.12421109E+01 4 C3H8CCOC TH0604C 5H 8O 1 G 300.000 5000.000 1398.00 1 1.66462053E+01 1.83215142E-02-6.26896445E-06 9.73393887E-10-5.64748426E-14 2 -2.41931235E+04-6.12629015E+01 9.75614709E-01 5.80750404E-02-4.60516321E-05 3 1.94933626E-08-3.39563614E-12-1.90196866E+04 2.18578332E+01 4 CHOC4H8OOHH TH0604C 5H 10O 3 G 300.000 5000.000 1389.00 1 2.40844453E+01 2.16441459E-02-7.58137207E-06 1.19608665E-09-7.01795962E-14 2 -5.14089610E+04-9.83875783E+01 9.80813088E-01 7.52895662E-02-5.51389998E-05 3 2.03975346E-08-3.05555250E-12-4.33668308E+04 2.57875332E+01 4 CHOC4H8OOHI TH0604C 5H 10O 3 G 300.000 5000.000 1391.00 1 2.34674508E+01 2.20747377E-02-7.70794560E-06 1.21345441E-09-7.10909442E-14 2 -5.13282060E+04-9.34781386E+01 2.03891258E-01 7.82974289E-02-6.05440515E-05 3 2.41814752E-08-3.95141718E-12-4.34146245E+04 3.08346012E+01 4 CHOC4H8OOHJ TH0604C 5H 10O 3 G 300.000 5000.000 1388.00 1 2.27803044E+01 2.26947565E-02-7.92987837E-06 1.24893547E-09-7.31908164E-14 2 -4.89466779E+04-8.86961946E+01 8.18023612E-01 7.36363212E-02-5.34776953E-05 3 2.00149770E-08-3.08425428E-12-4.12451552E+04 2.94494262E+01 4 CHOC4H8OOHK TH0604C 5H 10O 3 G 300.000 5000.000 1388.00 1 2.27803044E+01 2.26947565E-02-7.92987837E-06 1.24893547E-09-7.31908164E-14 2 -4.89466779E+04-8.86961946E+01 8.18023612E-01 7.36363212E-02-5.34776953E-05 3 2.00149770E-08-3.08425428E-12-4.12451552E+04 2.94494262E+01 4 C3H6QCHOB TH0604C 4H 7O 1 G 300.000 5000.000 1682.00 1 1.11954797E+01 1.81807226E-02-6.35947026E-06 1.00735514E-09-5.94006581E-14 2 -6.86949486E+03-2.80392126E+01 2.95180033E+00 3.34155172E-02-1.45219446E-05 3 1.66366870E-09 2.63973795E-13-3.79087557E+03 1.74259774E+01 4 IC3H6QCHO TH0604C 4H 7O 1 G 300.000 5000.000 1391.00 1 1.32455484E+01 1.63342174E-02-5.63338156E-06 8.79476458E-10-5.12233620E-14 2 -7.60397144E+03-4.21580876E+01 6.58735345E-01 4.37240874E-02-2.78568401E-05 3 8.87216869E-09-1.12621100E-12-3.01730762E+03 2.61786005E+01 4 HE 120186HE 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.07453750E+04 0.09153489E+01 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.09153488E+01 4 AR 120186AR 1 G 0300.00 5000.00 1000.00 1 0.02500000E+02 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.07453750E+04 0.04366001E+02 0.02500000E+02 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.07453750E+04 0.04366001E+02 4 H 8/12/99 THERMH 1 G 300.000 5000.000 1000.00 1 2.50104422E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 2.54747466E+04-4.65341317E-01 2.50104422E+00 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00 2.54747466E+04-4.65341317E-01 4 H2 121286H 2 G 0300.00 5000.00 1000.00 1 0.02991423E+02 0.07000644E-02-0.05633829E-06-0.09231578E-10 0.01582752E-13 2 -0.08350340E+04-0.01355110E+02 0.03298124E+02 0.08249442E-02-0.08143015E-05 3 -0.09475434E-09 0.04134872E-11-0.01012521E+05-0.03294094E+02 4 O 120186O 1 G 0300.00 5000.00 1000.00 1 0.02542060E+02-0.02755062E-03-0.03102803E-07 0.04551067E-10-0.04368052E-14 2 0.02923080E+06 0.04920308E+02 0.02946429E+02-0.01638166E-01 0.02421032E-04 3 -0.01602843E-07 0.03890696E-11 0.02914764E+06 0.02963995E+02 4 OH 8/12/99 THERMH 1O 1 G 300.000 5000.000 1357.00 1 2.62599754E+00 1.31992406E-03-3.59724670E-07 4.25630800E-11-1.82048016E-15 2 4.12085374E+03 7.10667307E+00 3.43586219E+00 2.02235804E-04-1.13546412E-07 3 2.42445149E-10-7.43651031E-14 3.74321252E+03 2.45014127E+00 4 H2O 20387H 2O 1 G 0300.00 5000.00 1000.00 1 0.02672146E+02 0.03056293E-01-0.08730260E-05 0.01200996E-08-0.06391618E-13 2 -0.02989921E+06 0.06862817E+02 0.03386842E+02 0.03474982E-01-0.06354696E-04 3 0.06968581E-07-0.02506588E-10-0.03020811E+06 0.02590233E+02 4 O2 121386O 2 G 0300.00 5000.00 1000.00 1 0.03697578E+02 0.06135197E-02-0.01258842E-05 0.01775281E-09-0.01136435E-13 2 -0.01233930E+05 0.03189166E+02 0.03212936E+02 0.01127486E-01-0.05756150E-05 3 0.01313877E-07-0.08768554E-11-0.01005249E+05 0.06034738E+02 4 HO2 8/12/99 THERMH 1O 2 G 300.000 5000.000 1390.00 1 4.10547423E+00 2.38452835E-03-8.06347989E-07 1.24191723E-10-7.16400108E-15 2 3.98127689E+02 3.12515836E+00 3.18310656E+00 3.66767950E-03-9.32385122E-07 3 -3.25852919E-10 1.51139912E-13 8.09181013E+02 8.39371099E+00 4 H2O2 120186H 2O 2 G 0300.00 5000.00 1000.00 1 0.04573167E+02 0.04336136E-01-0.01474689E-04 0.02348904E-08-0.01431654E-12 2 -0.01800696E+06 0.05011370E+01 0.03388754E+02 0.06569226E-01-0.01485013E-05 3 -0.04625806E-07 0.02471515E-10-0.01766315E+06 0.06785363E+02 4 N2 121286N 2 G 0300.00 5000.00 1000.00 1 0.02926640E+02 0.01487977E-01-0.05684761E-05 0.01009704E-08-0.06753351E-13 2 -0.09227977E+04 0.05980528E+02 0.03298677E+02 0.01408240E-01-0.03963222E-04 3 0.05641515E-07-0.02444855E-10-0.01020900E+05 0.03950372E+02 4 CH 121286C 1H 1 G 0300.00 5000.00 1000.00 1 0.02196223E+02 0.02340381E-01-0.07058201E-05 0.09007582E-09-0.03855040E-13 2 0.07086723E+06 0.09178373E+02 0.03200202E+02 0.02072876E-01-0.05134431E-04 3 0.05733890E-07-0.01955533E-10 0.07045259E+06 0.03331588E+02 4 CH2 120186C 1H 2 G 0250.00 4000.00 1000.00 1 0.03636408E+02 0.01933057E-01-0.01687016E-05-0.01009899E-08 0.01808256E-12 2 0.04534134E+06 0.02156561E+02 0.03762237E+02 0.01159819E-01 0.02489585E-05 3 0.08800836E-08-0.07332435E-11 0.04536791E+06 0.01712578E+02 4 CH2(S) 31287C 1H 2 G 0300.00 4000.00 1000.00 1 0.03552889E+02 0.02066788E-01-0.01914116E-05-0.01104673E-08 0.02021350E-12 2 0.04984975E+06 0.01686570E+02 0.03971265E+02-0.01699089E-02 0.01025369E-04 3 0.02492551E-07-0.01981266E-10 0.04989368E+06 0.05753207E+00 4 CH3 121286C 1H 3 G 0300.00 5000.00 1000.00 1 0.02844052E+02 0.06137974E-01-0.02230345E-04 0.03785161E-08-0.02452159E-12 2 0.01643781E+06 0.05452697E+02 0.02430443E+02 0.01112410E+00-0.01680220E-03 3 0.01621829E-06-0.05864953E-10 0.01642378E+06 0.06789794E+02 4 CH4 121286C 1H 4 G 0300.00 5000.00 1000.00 1 0.01683479E+02 0.01023724E+00-0.03875129E-04 0.06785585E-08-0.04503423E-12 2 -0.01008079E+06 0.09623395E+02 0.07787415E+01 0.01747668E+00-0.02783409E-03 3 0.03049708E-06-0.01223931E-09-0.09825229E+05 0.01372219E+03 4 CO 121286C 1O 1 G 0300.00 5000.00 1000.00 1 0.03025078E+02 0.01442689E-01-0.05630828E-05 0.01018581E-08-0.06910952E-13 2 -0.01426835E+06 0.06108218E+02 0.03262452E+02 0.01511941E-01-0.03881755E-04 3 0.05581944E-07-0.02474951E-10-0.01431054E+06 0.04848897E+02 4 HCO 121286H 1C 1O 1 G 0300.00 5000.00 1000.00 1 0.03557271E+02 0.03345573E-01-0.01335006E-04 0.02470573E-08-0.01713851E-12 2 0.03916324E+05 0.05552299E+02 0.02898330E+02 0.06199147E-01-0.09623084E-04 3 0.01089825E-06-0.04574885E-10 0.04159922E+05 0.08983614E+02 4 CH2O 121286C 1H 2O 1 G 0300.00 5000.00 1000.00 1 0.02995606E+02 0.06681321E-01-0.02628955E-04 0.04737153E-08-0.03212517E-12 2 -0.01532037E+06 0.06912572E+02 0.01652731E+02 0.01263144E+00-0.01888168E-03 3 0.02050031E-06-0.08413237E-10-0.01486540E+06 0.01378482E+03 4 CH2OH 120186H 3C 1O 1 G 0250.00 4000.00 1000.00 1 0.06327520E+02 0.03608271E-01-0.03201547E-05-0.01938750E-08 0.03509705E-12 2 -0.04474509E+05-0.08329366E+02 0.02862628E+02 0.01001527E+00-0.05285436E-05 3 -0.05138540E-07 0.02246041E-10-0.03349679E+05 0.01039794E+03 4 CH3O 121686C 1H 3O 1 G 0300.00 3000.00 1000.00 1 0.03770800E+02 0.07871497E-01-0.02656384E-04 0.03944431E-08-0.02112616E-12 2 0.01278325E+04 0.02929575E+02 0.02106204E+02 0.07216595E-01 0.05338472E-04 3 -0.07377636E-07 0.02075611E-10 0.09786011E+04 0.01315218E+03 4 CH3OH 121686C 1H 4O 1 G 0300.00 5000.00 1000.00 1 0.04029061E+02 0.09376593E-01-0.03050254E-04 0.04358793E-08-0.02224723E-12 2 -0.02615791E+06 0.02378196E+02 0.02660115E+02 0.07341508E-01 0.07170051E-04 3 -0.08793194E-07 0.02390570E-10-0.02535348E+06 0.01123263E+03 4 CO2 121286C 1O 2 G 0300.00 5000.00 1000.00 1 0.04453623E+02 0.03140169E-01-0.01278411E-04 0.02393997E-08-0.01669033E-12 2 -0.04896696E+06-0.09553959E+01 0.02275725E+02 0.09922072E-01-0.01040911E-03 3 0.06866687E-07-0.02117280E-10-0.04837314E+06 0.01018849E+03 4 CH3OO 7/13/98 THERMC 1H 3O 2 G 300.000 5000.000 1385.00 1 5.95787891E+00 7.90728626E-03-2.68246234E-06 4.13891337E-10-2.39007330E-14 2 -1.53574838E+03-4.71963886E+00 4.26146906E+00 1.00873599E-02-3.21506184E-06 3 2.09409267E-10 4.18339103E-14-6.84394259E+02 5.16330320E+00 4 CH3OOH 7/13/98 THERMC 1H 4O 2 G 300.000 5000.000 1390.00 1 8.43117091E+00 8.06817909E-03-2.77094921E-06 4.31332243E-10-2.50692146E-14 2 -1.96678771E+04-1.91170629E+01 3.23442817E+00 1.90129767E-02-1.13386287E-05 3 3.40306653E-09-4.11830222E-13-1.77197926E+04 9.25623949E+00 4 C2H 81193C 2H 1 G 0300.00 4000.00 1000.00 1 0.03986367E+02 0.03143123E-01-0.01267243E-04 0.02924363E-08-0.02716320E-12 2 0.06655884E+06 0.01191063E+02 0.02737704E+02 0.08048446E-01-0.09244310E-04 3 0.06525259E-07-0.01939580E-10 0.06683813E+06 0.07300220E+02 4 C2H2 121386C 2H 2 G 0300.00 5000.00 1000.00 1 0.04436770E+02 0.05376039E-01-0.01912817E-04 0.03286379E-08-0.02156710E-12 2 0.02566766E+06-0.02800338E+02 0.02013562E+02 0.01519045E+00-0.01616319E-03 3 0.09078992E-07-0.01912746E-10 0.02612444E+06 0.08805378E+02 4 C2H3 12787C 2H 3 G 0300.00 5000.00 1000.00 1 0.05933468E+02 0.04017746E-01-0.03966740E-05-0.01441267E-08 0.02378644E-12 2 0.03185435E+06-0.08530313E+02 0.02459276E+02 0.07371476E-01 0.02109873E-04 3 -0.01321642E-07-0.01184784E-10 0.03335225E+06 0.01155620E+03 4 C2H4 121286C 2H 4 G 0300.00 5000.00 1000.00 1 0.03528419E+02 0.01148518E+00-0.04418385E-04 0.07844601E-08-0.05266848E-12 2 0.04428289E+05 0.02230389E+02-0.08614880E+01 0.02796163E+00-0.03388677E-03 3 0.02785152E-06-0.09737879E-10 0.05573046E+05 0.02421149E+03 4 C2H5 12387C 2H 5 G 0300.00 5000.00 1000.00 1 0.07190480E+02 0.06484077E-01-0.06428065E-05-0.02347879E-08 0.03880877E-12 2 0.01067455E+06-0.01478089E+03 0.02690702E+02 0.08719133E-01 0.04419839E-04 3 0.09338703E-08-0.03927773E-10 0.01287040E+06 0.01213820E+03 4 C2H6 1/14/95 THERMC 2H 6 G 300.000 5000.000 1384.00 1 6.10683385E+00 1.29236361E-02-4.42527196E-06 6.87391726E-10-3.98901732E-14 2 -1.37500014E+04-1.30081250E+01-2.52854344E-02 2.40764754E-02-1.11893472E-05 3 2.08340901E-09-5.29868616E-14-1.12345534E+04 2.11648750E+01 4 HCCO 32387H 1C 2O 1 G 0300.00 4000.00 1000.00 1 0.06758073E+02 0.02000400E-01-0.02027607E-05-0.01041132E-08 0.01965165E-12 2 0.01901513E+06-0.09071262E+02 0.05047965E+02 0.04453478E-01 0.02268283E-05 3 -0.01482095E-07 0.02250742E-11 0.01965892E+06 0.04818439E+01 4 CH2CO 121686C 2H 2O 1 G 0300.00 5000.00 1000.00 1 0.06038817E+02 0.05804840E-01-0.01920954E-04 0.02794485E-08-0.01458868E-12 2 -0.08583402E+05-0.07657581E+02 0.02974971E+02 0.01211871E+00-0.02345046E-04 3 -0.06466685E-07 0.03905649E-10-0.07632637E+05 0.08673553E+02 4 CH3CO 120186C 2H 3O 1 G 0300.00 5000.00 1000.00 1 0.05612279E+02 0.08449886E-01-0.02854147E-04 0.04238376E-08-0.02268404E-12 2 -0.05187863E+05-0.03274949E+02 0.03125278E+02 0.09778220E-01 0.04521448E-04 3 -0.09009462E-07 0.03193718E-10-0.04108508E+05 0.01122885E+03 4 CH2CHO 110393O 1H 3C 2 G 0300.00 5000.00 1000.00 1 0.05975670E+02 0.08130591E-01-0.02743624E-04 0.04070304E-08-0.02176017E-12 2 0.04903218E+04-0.05045251E+02 0.03409062E+02 0.01073857E+00 0.01891492E-04 3 -0.07158583E-07 0.02867385E-10 0.01521477E+05 0.09558290E+02 4 C2H4CYO 9/ 1/ 0 THERMC 2H 4O 1 G 300.000 5000.000 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 CH3CHO 120186C 2O 1H 4 G 0300.00 5000.00 1000.00 1 0.05868650E+02 0.01079424E+00-0.03645530E-04 0.05412912E-08-0.02896844E-12 2 -0.02264569E+06-0.06012946E+02 0.02505695E+02 0.01336991E+00 0.04671953E-04 3 -0.01128140E-06 0.04263566E-10-0.02124589E+06 0.01335089E+03 4 C2H5O 3/12/95 THERMC 2H 5O 1 G 300.000 5000.000 1389.00 1 7.87339772E+00 1.13072907E-02-3.84421421E-06 5.94414105E-10-3.43894538E-14 2 -6.07274953E+03-1.73416790E+01 4.94420708E-01 2.71774434E-02-1.65909010E-05 3 5.15204200E-09-6.48496915E-13-3.35252925E+03 2.28079378E+01 4 CH3CO2 2/14/95 THERMC 2H 3O 2 G 300.000 5000.000 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 C2H4OOH 7/19/ 0 THERMC 2H 5O 2 G 300.000 5000.000 1416.00 1 1.04141161E+01 1.03535418E-02-3.40802617E-06 5.15328200E-10-2.93443242E-14 2 9.20494999E+02-2.27319861E+01 3.54721135E+00 2.68422848E-02-1.84606216E-05 3 6.70875659E-09-9.95440617E-13 3.23432979E+03 1.39436666E+01 4 C2H5OO 7/19/ 0 THERMC 2H 5O 2 G 300.000 5000.000 1382.00 1 9.48696023E+00 1.24472545E-02-4.32161576E-06 6.77583033E-10-3.95784568E-14 2 -7.82481795E+03-2.30613020E+01 2.26846188E+00 2.76942578E-02-1.70804106E-05 3 5.87951878E-09-9.20899069E-13-5.03880758E+03 1.64773972E+01 4 C2H5OOH 7/19/ 0 THERMC 2H 6O 2 G 300.000 5000.000 1383.00 1 1.19442992E+01 1.26271597E-02-4.41776755E-06 6.96327353E-10-4.08268961E-14 2 -2.57408634E+04-3.73382394E+01 1.29970294E+00 3.65488420E-02-2.52808875E-05 3 9.19746803E-09-1.41362233E-12-2.18866647E+04 2.02719078E+01 4 CH3C(O)OO 6/26/95 THERMC 2H 3O 3 G 300.000 5000.000 1396.00 1 1.15641474E+01 8.02672958E-03-2.77497463E-06 4.34069277E-10-2.53202435E-14 2 -1.93142188E+04-3.13182392E+01 2.61619505E+00 2.94830898E-02-2.23952554E-05 3 8.56474251E-09-1.31255496E-12-1.62923875E+04 1.64911398E+01 4 CH3C(O)OOH 6/26/95 THERMC 2H 4O 3 G 300.000 5000.000 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 !SPECIES INVOLVED IC4H7 REACTIONS MODIFICATION SC3H5 5/27/97 THERMC 3H 5 0 0G 300.000 5000.000 1390.000 1 7.88765879E+00 1.13012591E-02-3.84213130E-06 5.93982677E-10-3.43567175E-14 2 2.82377716E+04-1.74291589E+01 1.32807335E+00 2.53107914E-02-1.51530439E-05 3 4.74345565E-09-6.24666084E-13 3.06873903E+04 1.83328787E+01 4 TC3H5 5/27/97 THERMC 3H 5 0 0G 300.000 5000.000 1382.000 1 7.37492443E+00 1.17510061E-02-4.00021283E-06 6.18947395E-10-3.58215018E-14 2 2.72874911E+04-1.43478655E+01 2.17916644E+00 2.03826623E-02-7.91413834E-06 3 4.76906187E-10 2.70398536E-13 2.94895338E+04 1.48785684E+01 4 AC3H4 101993H 4C 3 G 0300.00 4000.00 1400.00 1 0.09776256E+02 0.05302138E-01-0.03701118E-05-0.03026386E-08 0.05089581E-12 2 0.01954972E+06-0.03077061E+03 0.02539831E+02 0.01633437E+00-0.01764950E-04 3 -0.04647365E-07 0.01729131E-10 0.02251243E+06 0.09935702E+02 4 PC3H4 101993H 4C 3 G 0300.00 4000.00 1400.00 1 0.09768102E+02 0.05219151E-01-0.03753140E-05-0.02992191E-08 0.05107878E-12 2 0.01860277E+06-0.03020678E+03 0.03029730E+02 0.01498961E+00-0.01398500E-04 3 -0.03969619E-07 0.01388217E-10 0.02148408E+06 0.08004594E+02 4 C3H6OAB 1/22/95 THERMC 3H 6O 1 0G 300.000 5000.000 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 C3H5O 7/20/95 THERMC 3H 5O 1 0G 300.000 5000.000 1380.000 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 C3H3 82489C 3H 3 G 0300.00 4000.00 1000.00 1 0.08831047E+02 0.04357195E-01-0.04109067E-05-0.02368723E-08 0.04376520E-12 2 0.03847420E+06-0.02177919E+03 0.04754200E+02 0.01108028E+00 0.02793323E-05 3 -0.05479212E-07 0.01949629E-10 0.03988883E+06 0.05854549E+01 4 C3H2 102193H 2C 3 G 0150.00 4000.00 1000.00 1 0.07670981E+02 0.02748749E-01-0.04370943E-05-0.06455599E-09 0.01663887E-12 2 0.06259722E+06-0.01236890E+03 0.03166714E+02 0.02482572E+00-0.04591637E-03 3 0.04268019E-06-0.01482152E-09 0.06350421E+06 0.08869446E+02 4 C4H6 4/ 4/ 0 THERMC 4H 6 O 0G 300.000 5000.000 1398.000 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 !ETBE MODEL ETBE TH0305C 6H 14O 1 0G 300.000 5000.000 1389.00 1 2.21508651E+01 2.98137845E-02-1.01554491E-05 1.57269381E-09-9.10959376E-14 2 -5.07523998E+04-9.33983102E+01-3.28862573E+00 9.26281182E-02-7.12857098E-05 3 2.93596725E-08-5.01666646E-12-4.21697247E+04 4.21734732E+01 4 ETBEA TH0305C 6H 13O 1 0G 300.000 5000.000 1389.00 1 2.17317690E+01 2.76742566E-02-9.42911023E-06 1.46053842E-09-8.46149535E-14 2 -2.56872829E+04-8.71942792E+01-2.51494836E+00 8.80552862E-02-6.87816454E-05 3 2.87120339E-08-4.95845283E-12-1.75572465E+04 4.18413415E+01 4 ETBEB TH0305C 6H 13O 1 0G 300.000 5000.000 1389.00 1 2.20330265E+01 2.74035757E-02-9.33237953E-06 1.44508181E-09-8.37002217E-14 2 -2.92895371E+04-9.09731261E+01-2.35968143E+00 8.92913218E-02-7.15651949E-05 3 3.06906761E-08-5.42339526E-12-2.12112344E+04 3.84568283E+01 4 ETBEC TH0305C 6H 13O 1 0G 300.000 5000.000 1389.00 1 2.17317690E+01 2.76742566E-02-9.42911023E-06 1.46053842E-09-8.46149535E-14 2 -2.56872829E+04-8.82924787E+01-2.51494836E+00 8.80552862E-02-6.87816454E-05 3 2.87120339E-08-4.95845283E-12-1.75572465E+04 4.07431420E+01 4 CM2OC2H5 TH0305C 5H 11O 1 0G 300.000 5000.000 1385.00 1 1.59087959E+01 2.58171909E-02-8.87158586E-06 1.38145198E-09-8.03090835E-14 2 -2.25573003E+04-5.60090984E+01 4.41740036E-01 5.93645503E-02-3.73018702E-05 3 1.28184847E-08-1.94064711E-12-1.67585612E+04 2.82588145E+01 4 CM3OCH2 TH0305C 5H 11O 1 0G 300.000 5000.000 1385.00 1 1.94320933E+01 2.22221059E-02-7.51599345E-06 1.15918825E-09-6.69773079E-14 2 -2.23819045E+04-7.81067802E+01-3.08468945E-01 7.06545125E-02-5.42867660E-05 3 2.22625771E-08-3.78683210E-12-1.56955602E+04 2.71983782E+01 4 ETBEOOA TH0305C 6H 13O 3 0G 300.000 5000.000 1388.00 1 2.50101443E+01 3.03848604E-02-1.05392073E-05 1.65149439E-09-9.64317966E-14 2 -4.34387973E+04-9.96732076E+01-5.97644588E-01 9.47992143E-02-7.57645781E-05 3 3.29275156E-08-5.96289873E-12-3.47816352E+04 3.66032938E+01 4 ETBEOOB TH0305C 6H 13O 3 0G 300.000 5000.000 1390.00 1 2.62610647E+01 2.93146822E-02-1.01687182E-05 1.59355576E-09-9.30548381E-14 2 -4.88159407E+04-1.07081208E+02 1.55226822E-02 9.54929521E-02-7.68121259E-05 3 3.31681339E-08-5.92704082E-12-4.00192357E+04 3.24312181E+01 4 ETBEOOC TH0305C 6H 13O 3 0G 300.000 5000.000 1388.00 1 2.50101443E+01 3.03848604E-02-1.05392073E-05 1.65149439E-09-9.64317966E-14 2 -4.34387973E+04-1.00771407E+02-5.97644588E-01 9.47992143E-02-7.57645781E-05 3 3.29275156E-08-5.96289873E-12-3.47816352E+04 3.55050943E+01 4 COOM2OC2H5 TH0305C 5H 11O 3 0G 300.000 5000.000 1388.00 1 2.18568314E+01 2.58725990E-02-8.98861677E-06 1.41003361E-09-8.23942668E-14 2 -3.93501830E+04-8.41745441E+01-4.55423302E-01 8.29424986E-02-6.80010643E-05 3 3.03013768E-08-5.59685534E-12-3.18803470E+04 3.42650482E+01 4 CM3OCH2OO TH0305C 5H 11O 3 0G 300.000 5000.000 1384.00 1 2.18168860E+01 2.59886673E-02-9.04756557E-06 1.42126279E-09-8.31319704E-14 2 -4.13302536E+04-8.53980672E+01 2.39949020E+00 7.05801295E-02-4.98260742E-05 3 1.92593498E-08-3.21100195E-12-3.43138658E+04 1.94890571E+01 4 ETBEOA TH0305C 6H 13O 2 0G 300.000 5000.000 1387.00 1 2.43242374E+01 2.75777573E-02-9.31337015E-06 1.43505402E-09-8.28663175E-14 2 -4.32502065E+04-9.96332531E+01-2.69827173E+00 9.53362251E-02-7.59200206E-05 3 3.18196494E-08-5.45919131E-12-3.42973646E+04 4.39083147E+01 4 ETBEOB TH0305C 6H 13O 2 0G 300.000 5000.000 1394.00 1 2.45401312E+01 2.84547146E-02-9.82759764E-06 1.53563051E-09-8.94912851E-14 2 -4.82927582E+04-1.03715713E+02-2.23299574E+00 9.75611698E-02-8.06770736E-05 3 3.54303225E-08-6.36582355E-12-3.95323702E+04 3.79438181E+01 4 ETBEOC TH0305C 6H 13O 2 0G 300.000 5000.000 1387.00 1 2.43242374E+01 2.75777573E-02-9.31337015E-06 1.43505402E-09-8.28663175E-14 2 -4.32502065E+04-1.00731453E+02-2.69827173E+00 9.53362251E-02-7.59200206E-05 3 3.18196494E-08-5.45919131E-12-3.42973646E+04 4.28101152E+01 4 COM2OC2H5 TH0305C 5H 11O 2 0G 300.000 5000.000 1387.00 1 2.10206761E+01 2.33665079E-02-7.90196498E-06 1.21876853E-09-7.04270897E-14 2 -3.91188916E+04-8.33307867E+01-2.42539431E+00 8.29521734E-02-6.74964744E-05 3 2.89191958E-08-5.05994001E-12-3.14156952E+04 4.09558899E+01 4 CM3OCH2O TH0305C 5H 11O 2 0G 300.000 5000.000 1381.00 1 2.09595065E+01 2.34910145E-02-7.96105252E-06 1.22968244E-09-7.11313652E-14 2 -4.10858439E+04-8.44224135E+01 3.48868800E-01 7.09614550E-02-4.99129081E-05 3 1.82497297E-08-2.75564171E-12-3.38383621E+04 2.65505583E+01 4 ETBEOOHA TH0305C 6H 13O 3 0G 300.000 5000.000 1389.00 1 2.70745193E+01 2.83678521E-02-9.88143120E-06 1.55296577E-09-9.08685034E-14 2 -3.76532778E+04-1.09668166E+02-8.68254238E-01 9.94046351E-02-8.18997905E-05 3 3.58274043E-08-6.43918733E-12-2.83651851E+04 3.86294336E+01 4 ETBEOOHB TH0305C 6H 13O 3 0G 300.000 5000.000 1389.00 1 2.73529413E+01 2.81416192E-02-9.80531379E-06 1.54125646E-09-9.01927720E-14 2 -4.12495948E+04-1.12226049E+02-6.50232467E-01 1.00375472E-01-8.43201470E-05 3 3.76093124E-08-6.86642690E-12-3.20289340E+04 3.60501578E+01 4 ETBEOOHC TH0305C 6H 13O 3 0G 300.000 5000.000 1391.00 1 2.83707397E+01 2.72893006E-02-9.51477890E-06 1.49633140E-09-8.75961785E-14 2 -4.30616546E+04-1.18587772E+02-4.39598447E-01 1.00840716E-01-8.39012390E-05 3 3.66049805E-08-6.51507385E-12-3.35733490E+04 3.41078936E+01 4 ETBEOOHD TH0305C 6H 13O 3 0G 300.000 5000.000 1391.00 1 2.83707397E+01 2.72893006E-02-9.51477890E-06 1.49633140E-09-8.75961785E-14 2 -4.30616546E+04-1.19687175E+02-4.39598447E-01 1.00840716E-01-8.39012390E-05 3 3.66049805E-08-6.51507385E-12-3.35733490E+04 3.30084913E+01 4 ETBEOOHE TH0305C 6H 13O 3 0G 300.000 5000.000 1389.00 1 2.73529413E+01 2.81416192E-02-9.80531379E-06 1.54125646E-09-9.01927720E-14 2 -4.12495948E+04-1.13325451E+02-6.50232467E-01 1.00375472E-01-8.43201470E-05 3 3.76093124E-08-6.86642690E-12-3.20289340E+04 3.49507555E+01 4 CH2CMOOHOC2H5 TH0305C 5H 11O 3 0G 300.000 5000.000 1388.00 1 2.39111087E+01 2.38790527E-02-8.34223246E-06 1.31362685E-09-7.69684261E-14 2 -3.35623452E+04-9.41192462E+01-6.70069622E-01 8.73025148E-02-7.37846363E-05 3 3.29998346E-08-6.03231693E-12-2.54712000E+04 3.60303656E+01 4 COOHM2OCHCH3 TH0305C 5H 11O 3 0G 300.000 5000.000 1389.00 1 2.42047289E+01 2.36186734E-02-8.24968965E-06 1.29887418E-09-7.60962359E-14 2 -3.71612562E+04-9.67561848E+01-5.19551883E-01 8.85617128E-02-7.66100905E-05 3 3.50086025E-08-6.50451910E-12-2.91244874E+04 3.37658157E+01 4 COOHM2OCH2CH2 TH0305C 5H 11O 3 0G 300.000 5000.000 1388.00 1 2.39111087E+01 2.38790527E-02-8.34223246E-06 1.31362685E-09-7.69684261E-14 2 -3.35623452E+04-9.41192462E+01-6.70069622E-01 8.73025148E-02-7.37846363E-05 3 3.29998346E-08-6.03231693E-12-2.54712000E+04 3.60303656E+01 4 CH2CM2OCH2OOH TH0305C 5H 11O 3 0G 300.000 5000.000 1384.00 1 2.38742158E+01 2.39922277E-02-8.40015351E-06 1.32469542E-09-7.76968608E-14 2 -3.55452638E+04-9.42627112E+01 2.19917741E+00 7.48728722E-02-5.55022699E-05 3 2.18887308E-08-3.63095731E-12-2.79080245E+04 2.22867720E+01 4 CH2CMOC2H5 TH0305C 5H 10O 1 0G 300.000 5000.000 1397.00 1 1.71338995E+01 2.19900712E-02-7.40783500E-06 1.13825881E-09-6.55608715E-14 2 -3.02044179E+04-6.46445427E+01-2.21321583E+00 7.46728674E-02-6.42557735E-05 3 2.94873629E-08-5.47323511E-12-2.41604038E+04 3.67289802E+01 4 CM3OC2H3 TH0305C 6H 12O 1 0G 300.000 5000.000 1404.00 1 2.22998139E+01 2.49168656E-02-8.43545241E-06 1.30031123E-09-7.50564362E-14 2 -3.65462230E+04-9.54418296E+01-4.77137678E+00 1.03061572E-01-9.68141681E-05 3 4.68144737E-08-8.92662456E-12-2.85819257E+04 4.47473513E+01 4 ETBECYOA TH0305C 6H 12O 2 0G 300.000 5000.000 1389.00 1 2.27893402E+01 2.72764580E-02-9.23112748E-06 1.42455491E-09-8.23521910E-14 2 -4.80748965E+04-9.57481739E+01-6.52393857E+00 1.00773818E-01-8.09105047E-05 3 3.36376722E-08-5.67245940E-12-3.84254229E+04 5.98578817E+01 4 ETBECYOB TH0305C 6H 12O 2 0G 300.000 5000.000 1403.00 1 2.26492624E+01 2.84116194E-02-9.73197572E-06 1.51247362E-09-8.78156030E-14 2 -6.23149063E+04-9.77729167E+01-7.18839866E+00 1.05411868E-01-8.71440472E-05 3 3.72718826E-08-6.42927344E-12-5.27183397E+04 5.98237698E+01 4 ETBECYOC TH0305C 6H 12O 2 0G 300.000 5000.000 1396.00 1 2.37304508E+01 2.70224306E-02-9.33564692E-06 1.45917081E-09-8.50561401E-14 2 -5.22473548E+04-1.02024725E+02-3.67435686E+00 9.69174041E-02-7.93905307E-05 3 3.40091622E-08-5.93003012E-12-4.32747014E+04 4.31438862E+01 4 ETBECYOD TH0305C 5H 10O 2 0G 300.000 5000.000 1389.00 1 2.02202454E+01 2.20536590E-02-7.47774108E-06 1.15551789E-09-6.68639364E-14 2 -4.30877323E+04-8.17372390E+01-4.49763416E+00 8.54883140E-02-7.11997964E-05 3 3.07335071E-08-5.36381124E-12-3.50732264E+04 4.89970220E+01 4 ETBECYOE TH0305C 5H 10O 2 0G 300.000 5000.000 1400.00 1 1.83439594E+01 2.47583305E-02-8.45183690E-06 1.31058037E-09-7.59761646E-14 2 -5.28609991E+04-7.48463761E+01-7.73179661E+00 9.31915126E-02-7.86901300E-05 3 3.44812091E-08-6.08499137E-12-4.45683202E+04 6.25103956E+01 4 ETBECYOF TH0305C 5H 10O 2 0G 300.000 5000.000 1398.00 1 1.82735471E+01 2.49270333E-02-8.53437522E-06 1.32601976E-09-7.69792125E-14 2 -5.48325276E+04-7.41122878E+01-4.88031687E+00 8.08560627E-02-6.05931160E-05 3 2.35166766E-08-3.72167460E-12-4.70026681E+04 4.95398079E+01 4 HOOETBEOOA TH0305C 6H 13O 5 0G 300.000 5000.000 1387.00 1 3.09200375E+01 3.00272561E-02-1.05116264E-05 1.65747397E-09-9.72058581E-14 2 -5.55725526E+04-1.25218956E+02 7.69259980E-01 1.07082761E-01-8.95300559E-05 3 3.98405132E-08-7.28316632E-12-4.55416335E+04 3.47372256E+01 4 HOOETBEOOB TH0305C 6H 13O 5 0G 300.000 5000.000 1389.00 1 3.21789227E+01 2.89164682E-02-1.01195383E-05 1.59536587E-09-9.35536148E-14 2 -6.09582347E+04-1.33905904E+02 9.36896157E-01 1.09467101E-01-9.28595479E-05 3 4.13728883E-08-7.51041066E-12-5.07038086E+04 3.14728046E+01 4 HOOETBEOOC TH0305C 6H 13O 5 0G 300.000 5000.000 1389.00 1 3.21789227E+01 2.89164682E-02-1.01195383E-05 1.59536587E-09-9.35536148E-14 2 -6.09582347E+04-1.33905904E+02 9.36896157E-01 1.09467101E-01-9.28595479E-05 3 4.13728883E-08-7.51041066E-12-5.07038086E+04 3.14728046E+01 4 HOOETBEOOD TH0305C 6H 13O 5 0G 300.000 5000.000 1389.00 1 3.21789227E+01 2.89164682E-02-1.01195383E-05 1.59536587E-09-9.35536148E-14 2 -6.09582347E+04-1.35004103E+02 9.36896157E-01 1.09467101E-01-9.28595479E-05 3 4.13728883E-08-7.51041066E-12-5.07038086E+04 3.03746051E+01 4 HOOETBEOOE TH0305C 6H 13O 5 0G 300.000 5000.000 1389.00 1 3.21789227E+01 2.89164682E-02-1.01195383E-05 1.59536587E-09-9.35536148E-14 2 -6.09582347E+04-1.35004103E+02 9.36896157E-01 1.09467101E-01-9.28595479E-05 3 4.13728883E-08-7.51041066E-12-5.07038086E+04 3.03746051E+01 4 CH2OOCOOHMOC2H5 TH0305C 5H 11O 5 0G 300.000 5000.000 1386.00 1 2.78009979E+01 2.54470339E-02-8.92913089E-06 1.41016288E-09-8.27928346E-14 2 -5.14902657E+04-1.09903060E+02 7.43928421E-01 9.59573582E-02-8.28100827E-05 3 3.78148769E-08-7.03990140E-12-4.26136004E+04 3.31769068E+01 4 COOHM2OCHOOCH3 TH0305C 5H 11O 5 0G 300.000 5000.000 1388.00 1 2.90364406E+01 2.43611491E-02-8.54666075E-06 1.34965683E-09-7.92377508E-14 2 -5.68586207E+04-1.18434363E+02 1.29019309E+00 9.67751182E-02-8.39053211E-05 3 3.80077087E-08-6.97885184E-12-4.78362624E+04 2.81342487E+01 4 COOHM2OCH2CH2OO TH0305C 5H 11O 5 0G 300.000 5000.000 1386.00 1 2.78009979E+01 2.54470339E-02-8.92913089E-06 1.41016288E-09-8.27928346E-14 2 -5.14902657E+04-1.09903060E+02 7.43928421E-01 9.59573582E-02-8.28100827E-05 3 3.78148769E-08-7.03990140E-12-4.26136004E+04 3.31769068E+01 4 CH2OOCM2OCH2OOH TH0305C 5H 11O 5 0G 300.000 5000.000 1382.00 1 2.77612194E+01 2.55579441E-02-8.98525685E-06 1.42084799E-09-8.34948368E-14 2 -5.34704576E+04-1.10025499E+02 3.67958670E+00 8.32275302E-02-6.40749407E-05 3 2.64184350E-08-4.57457259E-12-4.50603496E+04 1.91266991E+01 4 CHOETBEOOHA TH0305C 6H 12O 4 0G 300.000 5000.000 1388.00 1 2.93117746E+01 2.65970935E-02-9.30293198E-06 1.46632831E-09-8.59814382E-14 2 -7.12118364E+04-1.21537857E+02-5.63229780E-01 9.99680005E-02-7.97181694E-05 3 3.28200925E-08-5.51422910E-12-6.11570489E+04 3.77062319E+01 4 CHOETBEOOHB TH0305C 6H 12O 4 0G 300.000 5000.000 1390.00 1 3.09163546E+01 2.54011194E-02-8.92812940E-06 1.41182144E-09-8.29714762E-14 2 -7.67698208E+04-1.32300730E+02 2.05988209E-01 1.00256410E-01-7.96304735E-05 3 3.21677550E-08-5.26202848E-12-6.64315276E+04 3.15056131E+01 4 CHOETBEOOHC TH0305C 6H 12O 4 0G 300.000 5000.000 1387.00 1 2.91527643E+01 2.68789416E-02-9.43186093E-06 1.48969099E-09-8.74706889E-14 2 -8.61640532E+04-1.23256594E+02 1.30268169E+00 9.36097543E-02-7.20062846E-05 3 2.88507509E-08-4.77092724E-12-7.65751106E+04 2.58673489E+01 4 CHOETBEOOHD TH0305C 6H 12O 4 0G 300.000 5000.000 1389.00 1 2.95269211E+01 2.66560668E-02-9.37659588E-06 1.48336380E-09-8.71968029E-14 2 -8.49017858E+04-1.26616831E+02-4.16786160E+00 1.17194845E-01-1.06292914E-04 3 4.97250638E-08-9.31814576E-12-7.42129491E+04 5.04399387E+01 4 CHOETBEOOHE TH0305C 6H 12O 4 0G 300.000 5000.000 1389.00 1 2.98408363E+01 2.62024099E-02-9.17737165E-06 1.44770936E-09-8.49330681E-14 2 -7.77192590E+04-1.26306913E+02 1.08762842E+00 9.77918126E-02-7.93381249E-05 3 3.34940480E-08-5.78061147E-12-6.80993771E+04 2.66786971E+01 4 CH2OOHCM2OCHO TH0305C 5H 10O 4 0G 300.000 5000.000 1383.00 1 2.64112450E+01 2.21115657E-02-7.81569989E-06 1.24044969E-09-7.30831634E-14 2 -7.81719423E+04-1.07155387E+02 1.92742609E+00 7.99041681E-02-6.09983415E-05 3 2.40360502E-08-3.90569368E-12-6.96571735E+04 2.42508754E+01 4 CHOCMOC2H5 TH0305C 5H 9O 2 0G 300.000 5000.000 1387.00 1 1.92876929E+01 2.08599396E-02-7.26532019E-06 1.14167317E-09-6.67950049E-14 2 -3.37936170E+04-7.20646746E+01 5.37347448E-01 6.78249009E-02-5.44970179E-05 3 2.36149097E-08-4.25279998E-12-2.74480860E+04 2.77679869E+01 4 COCMOC2H5 TH0305C 5H 8O 2 0G 300.000 5000.000 1402.00 1 1.90223754E+01 1.82055104E-02-6.17895033E-06 9.54051444E-10-5.51318059E-14 2 -4.25648625E+04-7.18493966E+01-9.77475328E-01 7.72244164E-02-7.44870320E-05 3 3.68693167E-08-7.16056615E-12-3.67745465E+04 3.13230885E+01 4 CH3CHOC2H5 TH0305C 4H 9O 1 0G 300.000 5000.000 1384.00 1 1.49321075E+01 1.89804043E-02-6.42849259E-06 9.92347095E-10-5.73714395E-14 2 -1.63712478E+04-5.16348439E+01-8.78076156E-01 5.73246974E-02-4.31791606E-05 3 1.75410284E-08-2.98310211E-12-1.09459979E+04 3.29047747E+01 4 COCOM2 TH0305C 4H 7O 2 0G 300.000 5000.000 1394.00 1 1.70212535E+01 1.54406861E-02-5.28075068E-06 8.20395952E-10-4.76382051E-14 2 -2.75767570E+04-6.36240507E+01 3.88341615E-01 5.37657980E-02-3.81549769E-05 3 1.32377054E-08-1.78136225E-12-2.18410336E+04 2.57375049E+01 4 CM2OCOCH3 TH0305C 5H 9O 2 0G 300.000 5000.000 1393.00 1 1.52585457E+01 2.31945596E-02-7.82553324E-06 1.20323052E-09-6.93204326E-14 2 -4.21572826E+04-6.05854670E+01 3.65453548E+00 5.02008542E-02-3.31215605E-05 3 1.25917242E-08-2.11785870E-12-3.79743889E+04 2.00867124E+00 4 CM3OCO TH0305C 5H 9O 2 0G 300.000 5000.000 1383.00 1 2.00636756E+01 2.03940018E-02-7.14983088E-06 1.12855714E-09-6.62363215E-14 2 -4.70767009E+04-7.86981408E+01 1.47940747E+00 6.21892979E-02-4.32856386E-05 3 1.55533562E-08-2.32395011E-12-4.03908728E+04 2.18046969E+01 4 CM3OCHO TH0305C 5H 10O 2 0G 300.000 5000.000 1384.00 1 2.04516537E+01 2.25841172E-02-7.89884999E-06 1.24478717E-09-7.29758319E-14 2 -6.60327563E+04-8.24557268E+01 7.46653843E-01 6.68153864E-02-4.61161002E-05 3 1.65179076E-08-2.47056321E-12-5.89256051E+04 2.41538009E+01 4 CM2OCHO TH0305C 4H 7O 2 0G 300.000 5000.000 1369.00 1 1.46949886E+01 1.76859347E-02-6.20324690E-06 9.79367943E-10-5.74870258E-14 2 -3.79665259E+04-4.76644609E+01 4.21242178E+00 3.47859574E-02-1.36157252E-05 3 4.87834772E-10 5.76165623E-13-3.34782954E+04 1.14390301E+01 4 C2H5OH TH0305C 2H 6O 1 0G 300.000 5000.000 1391.00 1 7.95398526E+00 1.31239070E-02-4.41866159E-06 6.78684143E-10-3.90789953E-14 2 -3.23538368E+04-1.76442912E+01 4.37274600E-01 2.92497680E-02-1.73816173E-05 3 5.34224236E-09-6.75920781E-13-2.95708550E+04 2.32819915E+01 4 CH2CH2OH TH0305C 2H 5O 1 0G 300.000 5000.000 1390.00 1 7.53286425E+00 1.09923796E-02-3.69626832E-06 5.67252757E-10-3.26440771E-14 2 -7.28818386E+03-1.25297032E+01 1.21284843E+00 2.46734246E-02-1.48690908E-05 3 4.68936729E-09-6.16658881E-13-4.95885100E+03 2.18403672E+01 4 CH3CHOH TH0305C 2H 5O 1 0G 300.000 5000.000 1393.00 1 7.84302516E+00 1.07988123E-02-3.64262327E-06 5.60064809E-10-3.22679017E-14 2 -1.08468389E+04-1.53556940E+01 1.84068144E+00 2.49046379E-02-1.68516277E-05 3 6.43982065E-09-1.07037286E-12-8.71570456E+03 1.69423032E+01 4 CH2OOCH2OH TH0305C 2H 5O 3 0G 300.000 5000.000 2021.00 1 1.17508816E+01 1.39077601E-02-5.16669891E-06 8.50222105E-10-5.14255513E-14 2 -2.63844017E+04-2.02211468E+01 4.11535756E+00 2.72376363E-02-1.13292975E-05 3 6.53765273E-10 3.97421117E-13-2.34261211E+04 2.22097596E+01 4 HCOOH 103190C 1H 2O 2 G 0300.00 4000.00 1500.00 1 0.07959698E+02 0.03024532E-01-0.03434242E-05-0.01326767E-08 0.02520240E-12 2 -0.05027445E+06-0.01872208E+03 0.09326031E+01 0.01891002E+00-0.01554964E-03 3 0.07290031E-07-0.01483695E-10-0.04760071E+06 0.01950653E+03 4 !********************************tol_v2***************************************** NE NE 10 00 00 0G 300.00 5000.00 1000.00 1 0.25000000E+01 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 2 -0.74540000E+03 0.33420000E+01 0.25000000E+01 0.00000000E+00 0.00000000E+00 3 0.00000000E+00 0.00000000E+00-0.74540000E+03 0.33420000E+01 4 OCHO 2/14/95 THERMC 1H 1O 2 0G 300.000 5000.000 1690.00 01 6.12628782E+00 3.75602932E-03-1.42010352E-06 2.36429200E-10-1.44167651E-14 2 -2.17698466E+04-8.01574694E+00 1.35213452E+00 1.50082004E-02-1.09896141E-05 3 3.73679840E-09-4.81014498E-13-2.02253647E+04 1.74373147E+01 4 O2CHO 6/26/95 THERMC 1H 1O 3 0G 300.000 5000.000 1368.00 11 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 4/ 9/98 THERMC 1H 2O 2 0G 300.000 5000.000 1376.000 11 6.68733013E+00 5.14289368E-03-1.82238513E-06 2.89719163E-10-1.70892199E-14 2 -4.83995400E+04-1.13104798E+01 1.43548185E+00 1.63363016E-02-1.06257421E-05 3 3.32132977E-09-4.02176103E-13-4.64616504E+04 1.72885798E+01 4 HO2CHO 6/26/95 THERMC 1H 2O 3 0G 300.000 5000.000 1378.00 21 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 HOCH2O 4/ 9/98 THERMC 1H 3O 2 0G 300.000 5000.000 1452.000 11 6.39521515E+00 7.43673043E-03-2.50422354E-06 3.84879712E-10-2.21778689E-14 2 -2.25557758E+04-6.63865583E+00 4.11183145E+00 7.53850697E-03 3.77337370E-06 3 -5.38746005E-09 1.45615887E-12-2.12471918E+04 7.46807254E+00 4 C2H3O1-2 4/ 3/ 0 THERMC 2H 3O 1 0G 300.000 5000.000 1492.000 01 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 C2H3CO 4/ 3/ 0 THERMC 3H 3O 1 0G 300.000 5000.000 1402.000 01 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 C2H3CHO 6/26/95 THERMC 3H 4O 1 0G 300.000 5000.000 1393.000 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 CH2CCH2OH 9/ 8/95 THERMC 3H 5O 1 0G 300.000 5000.000 1372.00 21 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 CH3COCH2O 4/ 3/ 0 THERMC 3H 5O 2 0G 300.000 5000.000 1370.000 21 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 CH3CHOCHO 11/14/95 THERMC 3H 5O 2 0G 300.000 5000.000 1395.000 21 1.27827539E+01 1.21529347E-02-4.21228103E-06 6.59844007E-10-3.85228684E-14 2 -2.15946846E+04-3.94512036E+01 5.06096897E-01 4.26121702E-02-3.37628379E-05 3 1.39422914E-08-2.35317319E-12-1.74952136E+04 2.58742916E+01 4 CH3COCH2O2 2/14/95 C 3H 5O 3 0G 300.000 5000.000 1379.00 31 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 C3H6OH 1/ 7/98 THERMC 3H 7O 1 0G 300.000 5000.000 1674.000 31 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 TC3H6OH 8/ 1/95 THERMC 3H 7O 1 0G 300.000 5000.000 1389.00 31 1.01256920E+01 1.61868427E-02-5.52405957E-06 8.56051932E-10-4.95935542E-14 2 -1.70083112E+04-2.59254163E+01 2.31803956E+00 3.17304980E-02-1.69638706E-05 3 4.59998773E-09-5.18285520E-13-1.39382712E+04 1.71105868E+01 4 HOC3H6O2 1/ 7/98 THERMC 3H 7O 3 0G 300.000 5000.000 1397.000 41 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 C3H5OH 9/ 8/95 THERMC 3H 6O 1 0G 300.000 5000.000 1388.00 21 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 IC3H5OH 8/ 1/95 THERMC 3H 6O 1 0G 300.000 5000.000 1374.00 21 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 C4H8OH-2O2 6/26/95 THERMC 4H 9O 3 0G 300.000 5000.000 1399.000 51 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 C4H8OH-1O2 6/26/95 THERMC 4H 9O 3 0G 300.000 5000.000 1396.000 51 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 IO2C4H8OH 8/23/95 THERMC 4H 9O 3 0G 300.000 5000.000 1395.000 51 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 IC4H8OH 2/14/95 THERMC 4H 9O 1 0G 300.000 5000.000 1376.000 41 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 C4H8OH-2 2/14/95 THERMC 4H 9O 1 0G 300.000 5000.000 1390.000 41 1.40098964E+01 1.96303998E-02-6.61483807E-06 1.01686276E-09-5.85950747E-14 2 -1.90865900E+04-4.50052542E+01 7.34225848E-01 4.82233506E-02-2.92566110E-05 3 8.78396067E-09-1.01812519E-12-1.42394556E+04 2.71427693E+01 4 C4H8OH-1 2/14/95 THERMC 4H 9O 1 0G 300.000 5000.000 2017.000 41 1.22411698E+01 2.14192799E-02-7.36540176E-06 1.15346865E-09-6.74843941E-14 2 -1.59314041E+04-3.35659613E+01 8.93729480E-01 4.56458552E-02-2.50918881E-05 3 6.24130181E-09-4.99533512E-13-1.20051696E+04 2.78453352E+01 4 CH3CHOOCOCH3 6/27/95 C 4H 7O 3 0G 300.000 5000.000 1393.00 41 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 6/27/95 C 4H 7O 3 0G 300.000 5000.000 1394.00 51 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 IC3H5O2HCHO 8/2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1387.00 51 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 TC3H6O2HCO 8/ 2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1387.00 51 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 TC3H6O2CHO 8/ 2/95 THERMC 4H 7O 3 0G 300.000 5000.000 1386.00 41 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 IC4H6OH 8/19/95 THERMC 4H 7O 1 0G 300.000 5000.000 1390.00 31 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 C4H7O 4/ 3/ 0 THERMC 4H 7O 1 0G 300.000 5000.000 1395.000 21 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 IC4H7O 4/ 3/ 0 THERMC 4H 7O 1 0G 300.000 5000.000 1386.000 21 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 TC3H6OHCHO 8/ 1/95 THERMC 4H 8O 2 0G 300.000 5000.000 1396.00 41 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 IC4H7OH 4/ 8/97 THERMC 4H 8O 1 0G 300.000 5000.000 1384.000 31 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 IC4H7OOH 7/19/95 THERMC 4H 8O 2 0G 300.000 5000.000 1392.00 41 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 C4H2 H 2C 4 G 300.00 5000.00 1000.00 1 0.57657190E+01 0.11753300E-01-0.50388010E-05 0.94643000E-09-0.65414260E-13 2 0.54872110E+05-0.57254410E+01 0.39709810E+01 0.21204490E-01-0.17007310E-04 3 0.51673380E-08 0.59176860E-14 0.54861260E+05 0.17804350E+01 4 NC4H3 H 3C 4 G 300.00 5000.00 1000.00 1 0.81381840E+01 0.84829640E-02-0.22731880E-05 0.30566170E-09-0.16739050E-13 2 0.62426090E+05-0.15414750E+02 0.13988830E+01 0.32528050E-01-0.34423890E-04 3 0.19964820E-07-0.48259470E-11 0.63906800E+05 0.17818200E+02 4 IC4H3 H 3C 4 G 300.00 5000.00 1000.00 1 0.77441760E+01 0.88582230E-02-0.24105530E-05 0.32901320E-09-0.18270070E-13 2 0.57397500E+05-0.13078170E+02 0.19639190E+01 0.27907100E-01-0.25253300E-04 3 0.12505260E-07-0.26163660E-11 0.58743130E+05 0.15813710E+02 4 C4H4 5/ 6/91 THERMC 4H 4 0 0G 300.000 5000.000 1394.000 11 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 5/ 6/91 THERMC 4H 5 0 0G 300.000 5000.000 1404.000 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 IC3H5CO 4/ 3/ 0 THERMC 4H 5O 1 0G 300.000 5000.000 1397.000 21 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 SC3H5CO 11/15/95 THERMC 4H 5O 1 0G 300.000 5000.000 1392.000 21 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 IC3H5CHO 7/19/95 THERMC 4H 6O 1 0G 300.000 5000.000 1396.00 21 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 SC3H5CHO 11/15/95 THERC 4H 6O 1 0G 300.000 5000.000 1390.000 21 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 C2H3COCH3 6/19/95 THERMC 4H 6O 1 0G 300.000 5000.000 1386.00 21 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 NC4H10 1/14/95 THERMC 4H 10 0 0G 300.000 5000.000 1389.000 31 1.25055526E+01 2.17524393E-02-7.43384945E-06 1.15331684E-09-6.68749762E-14 2 -2.19479302E+04-4.44902356E+01-5.95684473E-01 4.89605743E-02-2.82670269E-05 3 8.13598060E-09-9.29098101E-13-1.69934308E+04 2.71845212E+01 4 IC4H10 1/14/95 THERMC 4H 10 0 0G 300.000 5000.000 1389.000 31 1.25733114E+01 2.18926418E-02-7.52538350E-06 1.17205495E-09-6.81446681E-14 2 -2.31696746E+04-4.68044255E+01-1.01277506E+00 5.04683181E-02-3.00502072E-05 3 9.15435582E-09-1.15326683E-12-1.80495698E+04 2.74256871E+01 4 C7H6 H 6C 7 G 300.00 5000.00 1000.00 1 0.16833480E+02 0.16722650E-01-0.56722060E-05 0.90402530E-09-0.55700430E-13 2 0.51975660E+05-0.59336220E+02 0.44814790E+00 0.62177700E-01-0.45388850E-04 3 0.10335740E-07 0.11474380E-11 0.56273800E+05 0.24808260E+02 4 C6H5CH3 5/19/93 THERMC 7H 8 0 0G 300.000 5000.000 1389.000 11 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 T08/90C 7H 7 0 0G 200.000 6000.000 1000. 1 0.14043980E+02 0.23493873E-01-0.85375367E-05 0.13890841E-08-0.83614420E-13 2 0.18564203E+05-0.51665589E+02 0.48111540E+00 0.38512832E-01 0.32861492E-04 3 -0.76972721E-07 0.35423068E-10 0.23307027E+05 0.23548820E+02 4 C6H5CH2OOJ 3/ 4/94 THERMC 7H 7O 2 0G 300.000 5000.000 1389.000 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 3/ 4/94 THERMC 7H 8O 2 0G 300.000 5000.000 1390.000 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 4/14/94 THERMC 7H 7O 1 0G 300.000 5000.000 1392.000 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 4/14/94 THERMC 7H 8O 1 0G 300.000 5000.000 1393.000 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 THGEN C 7H 7O 1 G 300.000 5000.000 1000.00 1 0.11091690E+02 0.29148990E-01-0.99412180E-05 0.15909530E-08-0.98326780E-13 2 -0.10993650E+04-0.30850270E+02-0.42125030E+01 0.69650930E-01-0.44585110E-04 3 0.10634690E-07 0.30441610E-12 0.31603390E+04 0.48572090E+02 4 C6H5CHO 2/25/94 THERMC 7H 6O 1 0G 300.000 5000.000 1382.000 11 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 C6H5CJO 2/25/94 THERMC 7H 5O 1 0G 300.000 5000.000 1382.000 11 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 C6H4CH3 THERGAS C 7H 7O 0 0G 300.000 5000.000 1000.000 1 0.13591550E+02 0.22418670E-01-0.71369700E-05 0.10873460E-08-0.64936910E-13 2 0.28819480E+05-0.48078290E+02-0.35398380E+01 0.61119440E-01-0.31605520E-04 3 0.10428070E-08 0.28655690E-11 0.34181700E+05 0.43076900E+02 4 OC6H4CH3 THERGAS C 7H 7O 1 0G 300.000 5000.000 1000.000 1 0.63262340E+01 0.37092070E-01-0.13736960E-04 0.23284710E-08-0.14970180E-12 2 -0.15663590E+04-0.46862110E+01-0.40396440E+01 0.73990950E-01-0.51594530E-04 3 0.12037280E-07 0.14321020E-11 0.22570760E+03 0.45316930E+02 4 HOC6H4CH3 THERGAS C 7H 8O 1 0G 300.000 5000.000 1000.000 1 0.39369160E+01 0.45799220E-01-0.18917840E-04 0.34624380E-08-0.23498170E-12 2 -0.18224990E+05 0.74718090E+01-0.38386040E+01 0.77129970E-01-0.53355110E-04 3 0.12948980E-07 0.10976630E-11-0.17273920E+05 0.43575740E+02 4 OC6H4O 4/ 1/94 THERMC 6H 4O 2 0G 300.000 5000.000 1390.000 01 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 THERGAS C 7H 7O 1 0G 300.000 5000.000 1000.000 1 0.68997000E+01 0.37664050E-01-0.14249900E-04 0.24513960E-08-0.15921530E-12 2 -0.10437810E+04-0.79669270E+01-0.41530490E+01 0.77699880E-01-0.58302870E-04 3 0.17867790E-07-0.53629970E-12 0.89669670E+03 0.45328890E+02 4 HOC6H4CH2OO THERGAS C 7H 7O 3 0G 300.000 5000.000 1000.000 1 0.10171750E+02 0.39468030E-01-0.14712640E-04 0.25050000E-08-0.16153700E-12 2 -0.13021090E+05-0.19317620E+02-0.48034170E+01 0.94237540E-01-0.76791770E-04 3 0.26417140E-07-0.18194310E-11-0.10384100E+05 0.52840960E+02 4 HOC6H4CH2O THERGAS C 7H 7O 2 0G 300.000 5000.000 1000.000 1 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 2 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 3 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 4 HOC6H4CH2OOH THERGAS C 7H 8O 3 0G 300.000 5000.000 1000.000 1 0.78802710E+01 0.46762810E-01-0.18945210E-04 0.34196660E-08-0.22975960E-12 2 -0.29733690E+05-0.53176800E+01-0.33626600E+01 0.89572000E-01-0.64173180E-04 3 0.14865920E-07 0.19227840E-11-0.28111440E+05 0.47796960E+02 4 HOC6H4CHO THERGAS C 7H 6O 2 0G 300.000 5000.000 1000.000 1 0.26233480E+02 0.12467060E-01-0.38909820E-05 0.58398640E-09-0.34490610E-13 2 -0.37683470E+05-0.11400120E+03-0.23906710E+01 0.74205440E-01-0.44742460E-04 3 0.69828730E-08 0.12944420E-11-0.28176850E+05 0.39949580E+02 4 HOC6H4CO THERGAS C 7H 5O 2 0G 300.000 5000.000 1000.000 1 0.25860790E+02 0.95144260E-02-0.23484450E-05 0.29605110E-09-0.15441900E-13 2 -0.20040060E+05-0.11201670E+03-0.13652230E+01 0.62537000E-01-0.27281220E-04 3 -0.48617900E-08 0.42731720E-11-0.10582670E+05 0.36144850E+02 4 C6H4OH THERGAS C 6H 5O 1 0G 300.000 5000.000 1000.000 1 0.13767820E+02 0.16388790E-01-0.49098700E-05 0.71530200E-09-0.41369750E-13 2 0.11960300E+05-0.46872080E+02-0.19563360E+01 0.56848970E-01-0.35600940E-04 3 0.40005410E-08 0.26190580E-11 0.16331330E+05 0.34871730E+02 4 C6H5O2 4/26/ 0HADAD C 6H 5O 2 0G 300.000 5000.000 1403.000 01 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 5/2/91 THERMC 6H 6 0 0G 300.000 5000.000 1390.000 01 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 C6H5 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 YOC6JDO 4/26/ 0HADAD C 6H 5O 2 0G 300.000 5000.000 1402.000 01 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 RODC6JDO 4/26/ 0HADAD C 6H 5O 2 0G 300.000 5000.000 1400.000 01 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 O*CC*CCJ*O 4/ 5/94THERMC 4H 3O 2 0G 300.000 5000.000 1394.000 21 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 6/22/94 THERMC 10H 10 0 0G 300.000 5000.000 1390.000 01 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 4/26/ 0 C 6H 5O 2 0G 300.000 5000.000 1402.000 01 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 5/ 2/91 THERMC 5H 6 0 0G 300.000 5000.000 1400.000 01 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 5/ 2/91 THERM C 6H 6O 1 0G 300.000 5000.000 1397.000 11 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 CY13PD5J 5/ 2/91 THERMC 5H 5 0 0G 300.000 5000.000 1403.000 01 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 4/26/ 0HADAD C 6H 5O 1 0G 300.000 5000.000 1401.000 01 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 98 MARINOVC&FC 6H 6 0 0G 300.000 3000.000 1000.00 1 0.55099388E+01 0.33879936E-01-0.17737071E-04 0.44769284E-08-0.44127372E-12 2 0.24921871E+05-0.67757489E+01-0.56096307E+01 0.73064757E-01-0.70326923E-04 3 0.36580449E-07-0.80201931E-11 0.27468885E+05 0.48339178E+02 4 CYC5H8 3/ 1/95 THERMC 5H 8 0 0G 300.000 5000.000 1398.000 01 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 12/15/94 THERMC 6H 7 0 0G 300.000 5000.000 1402.000 11 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 1/19/95 THERMC 6H 7 0 0G 300.000 5000.000 1397.000 01 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 FULVENYL MARINOV 1998 C 6H 5 0 0G 300.000 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 5/19/93 THERMC 6H 7 0 0G 300.000 5000.000 1400.000 11 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 STYR 9/10/93 THERMC 8H 8 0 0G 300.000 5000.000 1396.000 11 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 6/21/94 THERMC 10H 12 0 0G 300.000 5000.000 1392.000 01 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 CYC5H4CH3 12/15/94 THERMC 6H 7 0 0G 300.000 5000.000 1400.000 11 1.67719080E+01 1.69553299E-02-5.89878767E-06 9.26452584E-10-5.41901391E-14 2 1.63507180E+04-6.88571619E+01-6.89848650E+00 8.10196607E-02-7.36595148E-05 3 3.37792196E-08-6.13407967E-12 2.36727281E+04 5.51218056E+01 4 CYC5H9 12/15/94 THERMC 5H 9 0 0G 300.000 5000.000 1378.000 01 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 9/ 2/93 THERMC 10H 9 0 0G 300.000 5000.000 1399.000 01 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 C*CC(C#C)*C 4/3/03 THERMC 6H 6 0 0G 300.000 5000.000 1387.000 21 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 C*CC*CCJ XIAN THERMC 5H 7 0 0G 300.000 5000.000 1384.000 21 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 5/ 7/91 THERMC 6H 7 0 0G 300.000 5000.000 1405.000 21 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 C*CC*CC 3/ 1/95 THERMC 5H 8 0 0G 300.000 5000.000 1395.000 21 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 12/15/94 THERMC 6H 8 0 0G 300.000 5000.000 1399.000 11 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 CYC5H7_1 3/ 1/95 THERMC 5H 7 0 0G 300.000 5000.000 1405.000 01 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 C*CCJC*C 3/ 1/95 C 5H 7 0 0G 300.000 5000.000 1390.000 21 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 CPDC*C 12/15/94 THERMC 7H 8 0 0G 300.000 5000.000 1402.000 11 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 CHDKO 6/ 6/93 THERMC 6H 6O 1 0G 300.000 5000.000 1387.000 01 1.61167993E+01 1.81401539E-02-6.35311309E-06 1.00216156E-09-5.87935485E-14 2 -1.10754772E+04-6.33265109E+01-2.79921250E+00 6.35524359E-02-4.89212749E-05 3 1.95590922E-08-3.21872114E-12-4.58446912E+03 3.79064147E+01 4 CHDJKO 1/30/93 THERMC 6H 5O 1 0G 300.000 5000.000 1394.000 01 1.64155359E+01 1.54227914E-02-5.43596186E-06 8.61227637E-10-5.06814183E-14 2 -2.55440788E+03-6.60143302E+01-4.91147121E+00 6.88033251E-02-5.71749880E-05 3 2.38737203E-08-3.99171178E-12 4.45241669E+03 4.71910736E+01 4 CYPDONE 3/27/95 XIAN C 5H 4O 1 0G 300.000 5000.000 1397.000 01 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 HCOCJ*O 1/ 7/94 THERMC 2H 1O 2 0G 300.000 5000.000 1413.000 11 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 5/ 2/91 C 5H 5O 1 0G 300.000 5000.000 1395.000 01 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 5/ 2/91 THERMC 5H 6O 1 0G 300.000 5000.000 1398.000 11 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 5/ 2/91 C 5H 5O 1 0G 300.000 5000.000 1409.000 11 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 O*CJC*CC*C 9/15/93THERMC 5H 5O 1 0G 300.000 5000.000 1396.000 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 CJ*C*O 10/ 4/93 THERMC 2H 1O 1 0G 300.000 5000.000 1417.000 01 5.96870242E+00 3.43099806E-03-1.09218706E-06 1.61049568E-10-8.99809090E-15 2 1.86959738E+04-5.03421013E+00 2.83860668E+00 1.40014884E-02-1.44973917E-05 3 7.61160981E-09-1.52955572E-12 1.94604104E+04 1.06249101E+01 4 CJ*CC*O 4/ 8/94 THERMC 3H 3O 1 0G 300.000 5000.000 1402.000 11 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 O*CHOJ THERM8/91 C 1H 1O 2 0G 300.000 5000.000 1453.000 01 6.40920688E+00 3.28189026E-03-1.18710674E-06 1.91323635E-10-1.13932748E-14 2 -2.20542060E+04-1.04575060E+01 1.52482282E+00 1.26249843E-02-6.61406757E-06 3 7.72750880E-10 2.09088864E-13-2.02040511E+04 1.64205770E+01 4 HCOHCO 11/18/93 THERMC 2H 2O 2 0G 300.000 5000.000 1386.000 11 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 12/23/94 THERMC 5H 6O 2 0G 300.000 5000.000 1397.000 21 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 C*OCCJC*O 11/ 2/93 THERMC 4H 5O 2 0G 300.000 5000.000 1372.000 31 1.45793600E+01 1.29398054E-02-4.52795832E-06 7.13908568E-10-4.18702910E-14 2 -2.09644091E+04-4.49396328E+01 5.14713278E+00 3.19745863E-02-1.88422308E-05 3 5.58268410E-09-6.94634293E-13-1.72942344E+04 6.94259964E+00 4 DHCO2J 4/ 6/94 C 2H 1O 4 0G 300.000 5000.000 1532.000 31 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 C*OCJOH 2/14/95 THERMC 2H 3O 2 0G 300.000 5000.000 1392.000 21 9.09175069E+00 7.48144292E-03-2.56404118E-06 3.98657838E-10-2.31543207E-14 2 -1.97214298E+04-1.75983974E+01 2.83582077E+00 2.19043873E-02-1.52705670E-05 3 5.50365575E-09-8.13969566E-13-1.75275727E+04 1.60713874E+01 4 CPDJONE APR.LST C 5H 3O 1 0G 300.000 5000.000 1394.000 01 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 C*CC*C*O 12/27/94 THERMC 4H 4O 1 0G 300.000 5000.000 1401.000 11 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 CJ*CC*C*O APR.LST C 4H 3O 1 0G 300.000 5000.000 1401.000 11 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 C*CCJC*O 1/31/95 THERMC 4H 5O 1 0G 300.000 5000.000 1393.000 21 1.25450764E+01 1.23216634E-02-4.26290245E-06 6.66936036E-10-3.89024204E-14 2 -2.83207676E+03-3.65507312E+01 1.44549897E-01 4.40495223E-02-3.63262463E-05 3 1.57451928E-08-2.78406786E-12 1.23431520E+03 2.91294645E+01 4 C*CCCJ*O 5/10/94 THERMC 4H 5O 1 0G 300.000 5000.000 1389.000 21 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 O*CC*CC*CJ 3/17/94 THERMC 5H 5O 1 0G 300.000 5000.000 1399.000 21 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 C*OCCCJC*O 1/15/94 THERMC 5H 7O 2 0G 300.000 5000.000 1359.000 41 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 C*OCC*CJ 12/13/93 THERMC 4H 5O 1 0G 300.000 5000.000 1396.000 21 1.23960377E+01 1.21500606E-02-4.13869120E-06 6.40849893E-10-3.71147722E-14 2 1.50639838E+04-3.61556814E+01 1.44598093E+00 3.90420617E-02-2.97830471E-05 3 1.19081772E-08-1.95092654E-12 1.87333887E+04 2.21838661E+01 4 O*CJC*CCC*O 12/23/94THRMC 5H 5O 2 0G 300.000 5000.000 1391.000 31 1.69674659E+01 1.34989962E-02-4.72957784E-06 7.46292772E-10-4.37930913E-14 2 -1.76886399E+04-5.76448416E+01 4.04546905E-01 5.58988879E-02-4.73861890E-05 3 2.06434888E-08-3.63153263E-12-1.22859657E+04 3.00307222E+01 4 C*OCCCJ*O 5/ 5/94 THERMC 4H 5O 2 0G 300.000 5000.000 1369.000 31 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 C*OCCC*O 11/ 2/93 THERMC 4H 6O 2 0G 300.000 5000.000 1371.000 31 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 C*OCJC*O 10/15/93 THERMC 3H 3O 2 0G 300.000 5000.000 1388.000 21 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 C*OCC*O 10/15/93 THERMC 3H 4O 2 0G 300.000 5000.000 1380.000 21 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 C*CCCO2J 12/29/94 THERMC 4H 5O 2 0G 300.000 5000.000 1394.000 21 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 O*CC*CC*O 5/ 6/91 THERMC 4H 4O 2 0G 300.000 5000.000 1385.000 21 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 CYC4H5O21 12/31/94 THERMC 4H 5O 2 0G 300.000 5000.000 1379.000 21 1.35982636E+01 1.39226113E-02-4.81078927E-06 7.52557900E-10-4.39089080E-14 2 -6.18905996E+03-4.19101280E+01 1.44289184E+00 4.20941013E-02-3.05004874E-05 3 1.18104270E-08-1.93491056E-12-1.86789471E+03 2.35839087E+01 4 O*CC*CCJC*O 12/23/94 C 5H 5O 2 0G 300.000 5000.000 1387.000 31 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 C*OC*CCJ 5/ 6/94 THERMC 4H 5O 1 0G 300.000 5000.000 1386.000 21 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 C5H5O1_1 2/ 2/96 THERMC 5H 5O 1 0G 300.000 5000.000 1392.000 01 1.40521774E+01 1.49667233E-02-5.29832356E-06 8.41868720E-10-4.96425889E-14 2 -2.87155128E+03-5.32315192E+01-7.64332845E+00 6.87553506E-02-5.67436403E-05 3 2.33627343E-08-3.84202784E-12 4.29486685E+03 6.20911266E+01 4 C14H14 C 14H 14O 0 0G 300.00 3000.00 1000.00 1 0.72920350E+01 0.92502000E-01-0.51686410E-04 0.13627090E-07-0.13811480E-11 2 0.10316730E+05-0.11327380E+02-0.13889580E+02 0.17209840E+00-0.17006600E-03 3 0.96018880E-07-0.23732530E-10 0.15032340E+05 0.92707360E+02 4 C14H13 C 14H 13O 0 0G 300.00 5000.00 1000.00 1 0.29929100E+02 0.38304220E-01-0.11866330E-04 0.17730590E-08-0.10447670E-12 2 0.19709960E+05-0.13171330E+03-0.76621550E+01 0.13350520E+00-0.97310320E-04 3 0.34282990E-07-0.47893710E-11 0.30991570E+05 0.65813480E+02 4 STYLBEN C 14H 12 O 0G 300.00 3000.00 1000.00 1 0.26849750E+02 0.42842930E-01-0.15078500E-04 0.24664360E-08-0.15471790E-12 2 0.16421770E+05-0.11741830E+03-0.79270120E+01 0.13207530E+00-0.88117330E-04 3 0.19095230E-07 0.17687960E-11 0.26386720E+05 0.64074330E+02 4 XYLENE THERGAS C 8H 10O 0 0G 300.000 5000.000 1000.000 1 0.16647870E+02 0.29035770E-01-0.97813380E-05 0.15518060E-08-0.95333120E-13 2 -0.62956210E+04-0.65045590E+02-0.33455100E+01 0.74388260E-01-0.41786820E-04 3 0.70195840E-08 0.10659790E-11 0.90807260E+02 0.41601160E+02 4 IND 12/16/94 THERMC 9H 8 0 0G 300.000 5000.000 1398.000 01 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 2/ 7/95 THERMC 10H 8 0 0G 300.000 5000.000 1400.000 01 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 CH3OCO 11/14/92 THERMC 2H 3O 2 0G 300.000 5000.000 2022.000 11 7.93872241E+00 9.83179392E-03-3.62304518E-06 5.93018825E-10-3.57358429E-14 2 -2.72284932E+04-1.32899508E+01 3.40389162E+00 1.73179494E-02-6.45033782E-06 3 -4.33768471E-11 3.36254887E-13-2.54267271E+04 1.20702852E+01 4 !******************************************************************************* !******************************************************************************* CR1 C 11H 14 G 300.000 5000.000 1000.000 1 0.24279490E+02 0.39277930E-01-0.13055830E-04 0.20529180E-08-0.12540460E-12 2 -0.22353090E+04-0.10073980E+03-0.50042680E+01 0.11094510E+00-0.68887570E-04 3 0.13968120E-07 0.13865460E-11 0.65442310E+04 0.53444110E+02 4 CR2 thergas C 11H 13 G 300.000 5000.000 1000.000 1 0.25058240E+02 0.34315250E-01-0.10420300E-04 0.15366490E-08-0.89823800E-13 2 0.14502190E+05-0.10337610E+03-0.45839760E+01 0.11088320E+00-0.80877940E-04 3 0.29184870E-07-0.42130710E-11 0.23258910E+05 0.51860730E+02 4 CR3 thergas C 9H 10 G 300.000 5000.000 1000.000 1 0.18680080E+02 0.30169120E-01-0.10243010E-04 0.16331680E-08-0.10063110E-12 2 0.45773950E+04-0.73825240E+02-0.23583740E+01 0.79961900E-01-0.48361590E-04 3 0.10559480E-07 0.31999080E-12 0.11109950E+05 0.37689190E+02 4 CR4 thergas C 9H 10 G 300.000 5000.000 1000.000 1 0.17127660E+02 0.32397100E-01-0.11243720E-04 0.18209820E-08-0.11343800E-12 2 0.79136930E+04-0.65188800E+02-0.45577240E+01 0.84743340E-01-0.51304120E-04 3 0.99964460E-08 0.10884650E-11 0.14495180E+05 0.49266860E+02 4 CR5 thergas C 10H 12 G 300.000 5000.000 1000.000 1 0.19743450E+02 0.37313040E-01-0.12802910E-04 0.20555460E-08-0.12720910E-12 2 0.25936450E+04-0.77858900E+02-0.55226880E+01 0.10054810E+00-0.63951510E-04 3 0.14412310E-07 0.67182840E-12 0.10042810E+05 0.54694010E+02 4 C6H5C2H2 thergas C 8H 7 G 300.000 5000.000 1000.000 1 0.14470230E+02 0.24105550E-01-0.77006060E-05 0.11776170E-08-0.70589850E-13 2 0.34523810E+05-0.52091260E+02-0.18113050E+01 0.60426670E-01-0.27360430E-04 3 -0.41005130E-08 0.48287310E-11 0.39537740E+05 0.34420980E+02 4 !******************************************************************************* C6H5CH2CHO C 8H 8O 1 G 300.00 5000.00 1000.00 1 0.36747010E+02-0.42713440E-02 0.47925630E-05-0.12214140E-08 0.10045700E-12 2 -0.21783180E+05-0.17381830E+03 0.40768030E-01 0.61660050E-01-0.23909260E-04 3 -0.23290550E-08 0.82279070E-12-0.83429140E+04 0.28347620E+02 4 !need calc 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 C6H5C2H C 8H 60 00 0G 300.00 3000.00 1000.00 1 0.6441450E+01 0.4174141E-01 -0.2277228E-04 0.5894608E-08 -0.5895331E-12 2 0.3527225E+05 -0.9471260E+01 0.1594150E+01 0.3139700E-01 0.6454891E-04 3 -0.1252211E-06 0.5840699E-10 0.3716431E+05 0.1965262E+02 4 C*CC*CCOH THERGAS C 5H 8O 1 G 300.00 5000.00 1000.00 1 -0.13762470E+02 0.68352840E-01-0.31479710E-04 0.62224960E-08-0.44634360E-12 2 -0.35527770E+04 0.10991420E+03-0.27265170E+01 0.69997250E-01-0.57273600E-04 3 0.18212470E-07 0.49437280E-12-0.99986140E+04 0.40701200E+02 4 PHCPH C 13H 120 00 0G 300.00 5000.00 1000.00 1 0.41271980E+02-0.28005610E-02 0.26581290E-05-0.62594990E-09 0.50228890E-13 2 -0.13617500E+04-0.20203580E+03-0.25007810E+01 0.78441430E-01-0.33700470E-04 3 -0.25002600E-08 0.87943310E-12 0.14212280E+05 0.37690440E+02 4 !NEED CORRECT VALUE C6H4 C 6H 40 00 0G 300.00 5000.00 1000.00 1 0.13614350E+02 0.15026980E-01-0.60256150E-05 0.10798620E-08-0.72188830E-13 2 0.37314470E+05-0.49306480E+02-0.32525090E+01 0.63037570E-01-0.48882890E-04 3 0.11447960E-07 0.12520530E-11 0.41604910E+05 0.36836570E+02 4 LC6H5 CHAIN T09/90C 6H 5 0 0G 200.000 6000.000 1000. 1 0.13411768E+02 0.14720221E-01-0.50817705E-05 0.79886354E-09-0.46950844E-13 2 0.58503716E+05-0.41652032E+02 0.77929707E+00 0.54372126E-01-0.47873814E-04 3 0.16187164E-07 0.33735744E-12 0.61650312E+05 0.22128592E+02 4 HO2C6H4CH2 SIMILAR C 7H 7 O 2G 300.000 5000.000 1000. 1 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 2 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 3 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 4 O2C6H4CH3 SIMILAR C 7H 7 O 2G 300.000 5000.000 1000. 1 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 2 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 3 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 4 !NEED CORRECT VALUE RODC6J(C)DO SIMILAR C 7H 7 O 2G 300.000 5000.000 1000. 1 0.78560490E+01 0.39255930E-01-0.14759540E-04 0.25293740E-08-0.16391720E-12 2 -0.11950800E+05-0.10284050E+02-0.60673920E+01 0.89280760E-01-0.70811220E-04 3 0.23791760E-07-0.15076770E-11-0.94027250E+04 0.57145160E+02 4 OCC*CC*CJC THERGAS C 6H 7 O 1G 300.000 5000.000 1000. 1 0.50497010E+01 0.38791860E-01-0.15320660E-04 0.27171260E-08-0.18033730E-12 2 0.19759840E+05 0.77722780E+01 0.29603150E+00 0.55823770E-01-0.36331940E-04 3 0.13226370E-07-0.19785830E-11 0.20733650E+05 0.31029680E+02 4 C5H3 CY T 3/94C 5H 3 0 0G 200.000 6000.000 1000. 1 0.10397501E+02 0.10548283E-01-0.38462526E-05 0.62738447E-09-0.37836482E-13 2 0.79435481E+05-0.30539213E+02-0.30279743E+00 0.31376032E-01 0.30789383E-05 3 -0.35937535E-07 0.19474441E-10 0.82652282E+05 0.26395722E+02 4 C5H4 CY T 3/94C 5H 4 0 0G 200.000 6000.000 1000. 1 0.10106809E+02 0.13457466E-01-0.48862383E-05 0.79465424E-09-0.47821691E-13 2 0.61714735E+05-0.30155332E+02 0.98338482E+00 0.21429446E-01 0.33390071E-04 3 -0.66941379E-07 0.30563346E-10 0.64905174E+05 0.20682801E+02 4 C6H5C2H2 THERGAS C 8H 7 G 300.000 5000.000 1000.000 1 0.14470230E+02 0.24105550E-01-0.77006060E-05 0.11776170E-08-0.70589850E-13 2 0.34523810E+05-0.52091260E+02-0.18113050E+01 0.60426670E-01-0.27360430E-04 3 -0.41005130E-08 0.48287310E-11 0.39537740E+05 0.34420980E+02 4 C6H5C2H5 C 8H 100 00 0G 300.00 3000.00 1000.00 1 0.3878978E+01 0.5810059E-01 -0.3196380E-04 0.8448993E-08 -0.8694825E-12 2 -0.5024922E+03 0.3823936E+01 -0.7266845E+01 0.1003089E+00 -0.9651715E-04 3 0.5565908E-07 -0.1453370E-10 0.1987290E+04 0.5856430E+02 4 C6H5C2H4 C(.)HCH3 C 8H 90 00 0G 300.0 3000.0 1000.0 1 0.16311760E+02 0.26468430E-01-0.82500720E-05 0.12379150E-08-0.73142840E-13 2 0.12434840E+05-0.61654800E+02-0.31388300E+01 0.73564250E-01-0.45062580E-04 3 0.99457900E-08 0.39087490E-12 0.18338590E+05 0.40996950E+02 4 PHCCHPH THERGAS C 14H 11O 0 G 300.000 5000.000 1000.00 1 0.27175950E+02 0.37955300E-01-0.12265110E-04 0.18888160E-08-0.11364930E-12 2 0.40103460E+05-0.11821670E+03-0.73768820E+01 0.12670190E+00-0.87766600E-04 3 0.23655700E-07-0.58841870E-12 0.50103380E+05 0.62333000E+02 4 CJC*CC#C THGEN C 5H 5O 0 G 300.000 5000.000 1000.00 1 0.13598790E+02 0.10520470E-01-0.27927450E-05 0.37308060E-09-0.20346390E-13 2 0.40802660E+05-0.45005570E+02 0.20166590E+00 0.47214650E-01-0.40116650E-04 3 0.17586550E-07-0.32082200E-11 0.44628210E+05 0.24565410E+02 4 C12H10 C 12H 100 00 0G 300.00 5000.00 1000.00 1 0.24289017E+02 0.34006648E-01-0.11722408E-04 0.17729298E-08-0.96812532E-13 2 0.10287000E+05-0.10802374E+03-0.40739527E+01 0.86973310E-01-0.42353613E-05 3 -0.64564460E-07 0.34150169E-10 0.19405965E+05 0.44741348E+02 4 C10H10 C 10H 100 00 0G 300.00 5000.00 1000.00 1 0.22458530E+02 0.29898240E-01-0.10242450E-04 0.16427290E-08-0.10159410E-12 2 0.46171800E+04-0.11018190E+03-0.33795990E+01 0.92796250E-01-0.59191120E-04 3 0.12373030E-07 0.10362640E-11 0.12412380E+05 0.26016700E+02 4 C10H9 C 10H 90 00 0G 300.00 5000.00 1000.00 1 0.24229390E+02 0.23702960E-01-0.70934600E-05 0.10358140E-08-0.60175150E-13 2 0.19509930E+05-0.11823740E+03-0.24291240E+01 0.87998290E-01-0.56839090E-04 3 0.12228180E-07 0.84745010E-12 0.27623040E+05 0.22532820E+02 4 PHCH2CH2CCH C 10H 11 G 300.00 5000.00 1000.00 1 0.43251140E+02-0.39227740E-02 0.56097520E-05-0.15321730E-08 0.13004790E-12 2 -0.18354710E+05-0.21143460E+03-0.16671590E+01 0.76793180E-01-0.31586770E-04 3 0.29960120E-09-0.10761510E-12-0.18059560E+04 0.36181180E+02 4 PHCH2CHCCH2 C 10H 11 G 300.00 5000.00 1000.00 1 0.19406490E+02 0.33109010E-01-0.11523350E-04 0.18712210E-08-0.11684640E-12 2 0.24320790E+05-0.75575480E+02-0.37264350E+01 0.89974210E-01-0.56943000E-04 3 0.13069400E-07 0.35429480E-12 0.31267220E+05 0.46215200E+02 4 PHCH2CCCH3 C 10H 11 G 300.00 5000.00 1000.00 1 0.42777660E+02-0.54862540E-02 0.64385930E-05-0.16658510E-08 0.13789990E-12 2 0.12674890E+05-0.20583690E+03 0.40701710E+00 0.68859990E-01-0.23271040E-04 3 -0.55781540E-08 0.19739180E-11 0.28386500E+05 0.28202830E+02 4 PHCH2CHCCH2 C 10H 11 G 300.00 5000.00 1000.00 1 0.19406490E+02 0.33109010E-01-0.11523350E-04 0.18712210E-08-0.11684640E-12 2 0.24320790E+05-0.75575480E+02-0.37264350E+01 0.89974210E-01-0.56943000E-04 3 0.13069400E-07 0.35429480E-12 0.31267220E+05 0.46215200E+02 4 PHCH2CCH C 9H 9 G 300.00 5000.00 1000.00 1 0.37039320E+02-0.42025160E-02 0.46436820E-05-0.11794200E-08 0.96889400E-13 2 0.19801320E+05-0.17561230E+03 0.44543460E+00 0.61842500E-01-0.24602510E-04 3 -0.17934080E-08 0.63674280E-12 0.33166950E+05 0.25817050E+02 4 OC6H4CH2 012508C 7H 6O 1 G 300.000 5000.000 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 END