!FACE Gasoline Surrogates Kinetic Model !Ver 1 - last modified March 10, 2016 ! ! !Compositional effects on the ignition of FACE gasoline fuels !S. Mani Sarathy1, Goutham Kukkadapu2, Marco Mehl3, Tamour Javed1, Ahfaz Ahmed1, Nimal Naser1, Aniket Tekawade4, Graham Kosiba4, Mohammed Al Abbad1, Eshan Singh1, Sungwoo Park1, Mariam Al Rashidi1, Suk Ho Chung1, William L. Roberts1, Matthew A. Oehlschlaeger4, Chih-Jen Sung2, Aamir Farooq1 !1 Clean Combustion Research Center, King Abdullah University of Science and Technology, Kingdom of Saudi Arabia !2 Department of Mechanical Engineering, University of Connecticut, Storrs, CT, United States !3 Lawrence Livermore National Laboratory, Livermore, CA, USA !4 Mechanical, Aerospace, and Nuclear Engineering, Rensselaer Polytechnic Institute, Troy, NY, USA ! ! THERMO 300.0000 1000.00 5000.0000 C14H14 Bibenzyl T 5/04C 14.H 14. 0. 0.G 200.000 6000.000 1000. 1 2.65979897E+01 4.68689340E-02-1.69056103E-05 2.73737090E-09-1.64235887E-13 2 3.18810786E+03-1.14827874E+02 1.30521842E+00 5.76220698E-02 1.22418244E-04 3 -2.18120750E-07 9.59096665E-11 1.26627763E+04 2.90742354E+01 1.63088384E+04 4 C14H13 3/19/ 9 THERMC 14H 13 0 0G 300.000 5000.000 1396.000 21 3.47417341E+01 3.59337719E-02-1.22450631E-05 1.89794621E-09-1.10038037E-13 2 1.74795959E+04-1.61420726E+02-9.29192717E+00 1.47032767E-01-1.20211860E-04 3 4.97625178E-08-8.23851673E-12 3.17775915E+04 7.18644702E+01 4 C14H12 10/15/15 C 14H 12 0 0G 300.000 5000.000 1393.000 21 3.25140711E+01 3.68125172E-02-1.28727241E-05 2.02856510E-09-1.18929028E-13 2 1.24097942E+04-1.50877762E+02-9.87135142E+00 1.41775069E-01-1.14121246E-04 3 4.71419134E-08-7.90117656E-12 2.65388682E+04 7.46582816E+01 4 C14H11 3/19/ 9 THERMC 14H 11 0 0G 300.000 5000.000 1395.000 11 3.27609182E+01 3.39480669E-02-1.17667240E-05 1.84362057E-09-1.07661574E-13 2 2.92915217E+04-1.51883228E+02-6.70772425E+00 1.32788823E-01-1.07842007E-04 3 4.47787253E-08-7.50278981E-12 4.22802338E+04 5.76442987E+01 4 C14H13OOH 10/15/15 C 14H 14O 2 0G 300.000 5000.000 1396.000 41 4.07370348E+01 3.87479277E-02-1.34510110E-05 2.10987402E-09-1.23311935E-13 2 -1.34051170E+04-1.86220414E+02-1.21886279E+01 1.78727139E-01-1.57968895E-04 3 7.06392075E-08-1.25734204E-11 3.27324936E+03 9.21173544E+01 4 C14H13OO 10/15/15 C 14H 13O 2 0G 300.000 5000.000 1395.000 41 4.01209591E+01 3.71090961E-02-1.29701597E-05 2.04354005E-09-1.19800194E-13 2 3.61903559E+03-1.82287408E+02-1.12047595E+01 1.71754012E-01-1.51035503E-04 3 6.71992599E-08-1.19241486E-11 1.99285860E+04 8.80700778E+01 4 C14H12OOH 3/19/ 9 THERMC 14H 13O 2 0G 300.000 5000.000 1394.000 41 4.02968908E+01 3.71210431E-02-1.30088643E-05 2.05309245E-09-1.20495552E-13 2 3.67900543E+03-1.86479334E+02-8.32529422E+00 1.61762848E-01-1.37724101E-04 3 5.95672829E-08-1.03363053E-11 1.94259748E+04 7.06782085E+01 4 C14H12O2H-1O2 9/ 9 THERMC 14H 13O 4 0G 300.000 5000.000 1391.000 71 4.48785960E+01 3.75685709E-02-1.32824040E-05 2.10858085E-09-1.24255944E-13 2 -9.97231472E+03-2.04041648E+02-9.40646930E+00 1.77878119E-01-1.55260847E-04 3 6.84418245E-08-1.20655066E-11 7.52457116E+03 8.27128410E+01 4 C14H11O-1O2H 19/ 9 THERMC 14H 12O 3 0G 300.000 5000.000 1393.000 41 4.03057402E+01 3.72594407E-02-1.30902950E-05 2.06942373E-09-1.21596482E-13 2 -2.78034193E+04-1.82398868E+02-7.77794671E+00 1.57347464E-01-1.29564931E-04 3 5.40605490E-08-9.07699935E-12-1.19364337E+04 7.29984559E+01 4 C14H13O 3/19/ 9 THERMC 14H 13O 1 0G 300.000 5000.000 1397.000 31 3.62205336E+01 3.75634484E-02-1.29678295E-05 2.02688785E-09-1.18180078E-13 2 5.74597621E+03-1.65590808E+02-1.19190739E+01 1.59861239E-01-1.33105430E-04 3 5.60228564E-08-9.42896323E-12 2.13328544E+04 8.92151705E+01 4 C14H12O 10/19/15 C 14H 12O 1 0G 300.000 5000.000 1394.000 31 !USING ANALOGY GROUP TO ESTIMATE 3.48141204E+01 3.67953648E-02-1.28282619E-05 2.01783856E-09-1.18158524E-13 2 -1.68668837E+04-1.61938007E+02-9.56374055E+00 1.44801295E-01-1.13794706E-04 3 4.50882665E-08-7.17648586E-12-2.00559523E+03 7.46678724E+01 4 ! CAS# : ! DfH = 19.06 kJ/mol, Cp = 120.95 J/mol/K, S = 361.48 J/mol/K ! All isomers lumped into m-methyl-phenoxy (degeneracy=2.5) OC6H4CH3 G3B3 H 7C 7O 1N 0G 300.000 3000.000 1000.000 1 4.14521668E+00 5.02784126E-02-2.90785098E-05 8.02843592E-09-8.55794251E-13 2 -1.22524065E+03 5.33490308E+00-3.88641950E+00 7.84259616E-02-6.20806903E-05 3 2.17166947E-08-1.65778530E-12 4.71681386E+02 4.48067664E+01 2.12767448E+04 4 O-O2C6H4CH3 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1408.000 21 2.12862164E+01 1.93020680E-02-6.48485440E-06 9.95146950E-10-5.72828260E-14 2 3.19865442E+03-8.60791351E+01-5.17635366E+00 9.32722534E-02-8.64517889E-05 3 4.02042133E-08-7.33445923E-12 1.10698763E+04 5.15568699E+01 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 !O-OC6H4CH2 9/21/15 C 7H 6O 1 0G 300.000 5000.000 1400.000 01 ! 1.78957988E+01 1.85814733E-02-6.37408716E-06 9.91808941E-10-5.76407811E-14 2 !-2.18935294E+03-7.24458381E+01-3.93369703E+00 7.52566081E-02-6.35899875E-05 3 ! 2.74836854E-08-4.76042804E-12 4.77953145E+03 4.27037101E+01 4 CHOC3H3CCH3CO1-2 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1386.000 31 2.17191720E+01 1.98847001E-02-6.98545625E-06 1.10414248E-09-6.48671003E-14 2 -1.11910344E+04-8.57966307E+01 6.84902504E-01 7.01246505E-02-5.38214766E-05 3 2.14198031E-08-3.51106343E-12-3.94305679E+03 2.68714930E+01 4 COC4H4CH3CO1-6 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1383.000 31 2.14597239E+01 2.01821039E-02-7.10585498E-06 1.12485100E-09-6.61522736E-14 2 -1.02292008E+04-8.39510376E+01 1.28335910E+00 6.59228110E-02-4.68962259E-05 3 1.70504603E-08-2.55450469E-12-3.03151362E+03 2.49919796E+01 4 COCH3C3H3CH2 C 6H 8O 1 0G 300.000 5000.000 1390.000 21 !analygo to C2H3COCH3 1.19989844E+01 1.52616304E-02-5.26018882E-06 8.20774274E-10-4.77834528E-14 2 -2.12170620E+04-3.71383523E+01 6.55910700E-01 4.19405303E-02-3.00269693E-05 3 1.16578089E-08-1.92100897E-12-1.72216627E+04 2.38412293E+01 4 COCCH3C4H41-5 19/13 C 6H 7O 1 0G 300.000 5000.000 1382.000 21 ! 1.23912778e+01 1.27323046e-02-4.46770041e-06 7.05572626e-10-4.14248008e-14 2 ! 8.50957374e+03-3.82840461e+01 1.33890540e+00 3.84118902e-02-2.81468066e-05 3 ! 1.10923310e-08-1.85826300e-12 1.24543151e+04 2.12804923e+01 4 ! !==================================================================================== !=======================================Yingjia_Test_4methylphenyl+O2=================== P-O2C6H4CH3 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1408.000 21 2.12862164E+01 1.93020680E-02-6.48485440E-06 9.95146950E-10-5.72828260E-14 2 3.19865442E+03-8.60791351E+01-5.17635366E+00 9.32722534E-02-8.64517889E-05 3 4.02042133E-08-7.33445923E-12 1.10698763E+04 5.15568699E+01 4 P-OC6H4CH3 4/ 3/ 9 THERMC 7H 7O 1 0G 300.000 5000.000 1397.000 11 2.01201234E+01 1.92615275E-02-6.70631566E-06 1.05375828E-09-6.16537629E-14 2 -6.25384510E+03-8.37677746E+01-4.86830769E+00 8.65534607E-02-7.79033413E-05 3 3.57350223E-08-6.52685773E-12 1.55181196E+03 4.73058730E+01 4 CHOC3H3CCH3CO1-4 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1386.000 31 2.17191720E+01 1.98847001E-02-6.98545625E-06 1.10414248E-09-6.48671003E-14 2 -1.11910344E+04-8.57966307E+01 6.84902504E-01 7.01246505E-02-5.38214766E-05 3 2.14198031E-08-3.51106343E-12-3.94305679E+03 2.68714930E+01 4 !======================================================================================= !=======================================Yingjia_Test_3methylphenyl+O2=================== M-O2C6H4CH3 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1408.000 21 2.12862164E+01 1.93020680E-02-6.48485440E-06 9.95146950E-10-5.72828260E-14 2 3.19865442E+03-8.60791351E+01-5.17635366E+00 9.32722534E-02-8.64517889E-05 3 4.02042133E-08-7.33445923E-12 1.10698763E+04 5.15568699E+01 4 M-OC6H4CH3 4/ 3/ 9 THERMC 7H 7O 1 0G 300.000 5000.000 1397.000 11 2.01201234E+01 1.92615275E-02-6.70631566E-06 1.05375828E-09-6.16537629E-14 2 -6.25384510E+03-8.37677746E+01-4.86830769E+00 8.65534607E-02-7.79033413E-05 3 3.57350223E-08-6.52685773E-12 1.55181196E+03 4.73058730E+01 4 CHOC3H3CCH3CO1-3 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1386.000 31 2.17191720E+01 1.98847001E-02-6.98545625E-06 1.10414248E-09-6.48671003E-14 2 -1.11910344E+04-8.57966307E+01 6.84902504E-01 7.01246505E-02-5.38214766E-05 3 2.14198031E-08-3.51106343E-12-3.94305679E+03 2.68714930E+01 4 CHOCCH3C3H3CO1-5 9/21/15 C 7H 7O 2 0G 300.000 5000.000 1386.000 31 2.17191720E+01 1.98847001E-02-6.98545625E-06 1.10414248E-09-6.48671003E-14 2 -1.11910344E+04-8.57966307E+01 6.84902504E-01 7.01246505E-02-5.38214766E-05 3 2.14198031E-08-3.51106343E-12-3.94305679E+03 2.68714930E+01 4 !COMMENT: FROM MM C7H6O 9/29/15 THERMC 7H 6O 1 0G 300.000 5000.000 1417.000 01 2.38785231E+01 9.42458313E-03-3.44882008E-06 5.60114039E-10-3.35321867E-14 2 -1.24110394E+04-1.11672470E+02-6.19433383E+00 8.84571922E-02-8.22781781E-05 3 3.58533676E-08-5.99921624E-12-3.13702615E+03 4.62371807E+01 4 !=========================================YINGJIA_TEST_C6H5CH2+O2=============== O-C6H4CH2OOH BZCOOH C 7H 7O 2 0G 300.000 5000.000 1390.000 31 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 O-C6H5OOCH2 BZCOOH C 7H 7O 2 0G 300.000 5000.000 1390.000 31 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 C6H5CH2CH2OO 3/11 THERMC 8H 9O 2 0G 300.000 5000.000 1392.000 31 2.32195676E+01 2.60543894E-02-9.06848696E-06 1.42450939E-09-8.33254784E-14 2 -9.30560896E+02-9.41996431E+01-2.97717571E+00 9.09238597E-02-7.22332479E-05 3 3.00778320E-08-5.14215828E-12 7.87040761E+03 4.53100220E+01 4 C6H5CHOOCH3 3/11 THERMC 8H 9O 2 0G 300.000 5000.000 1391.000 31 2.39389417E+01 2.55802179E-02-8.93645471E-06 1.40728440E-09-8.24626131E-14 2 -2.90483393E+03-9.84083931E+01-4.15080808E+00 9.63086315E-02-7.90361848E-05 3 3.37293640E-08-5.86581277E-12 6.40361986E+03 5.07485305E+01 !YINGJIA_TEST_11/10/2015 C7H6 G3SX B3LYPTC 7H 6 0 0G 300.000 5000.000 1401.00 1 1.70564548E+01 1.67766601E-02-5.75637904E-06 8.95748927E-10-5.20574674E-14 2 3.43929834E+04-6.83510071E+01-3.96406850E+00 7.40750426E-02-6.68009279E-05 3 3.06821623E-08-5.59258820E-12 4.08575050E+04 4.16088550E+01 4 C7H5 G3SX ref819C 7H 5 0 0G 300.000 5000.000 1404.00 1 1.65644050E+01 1.44569152E-02-4.91369020E-06 7.59739947E-10-4.39556749E-14 2 4.96364603E+04-6.29487260E+01-2.77567748E+00 6.97210344E-02-6.63891369E-05 3 3.18329494E-08-5.98040634E-12 5.53261073E+04 3.73111448E+01 4 OCH3C6H4O 8/ 5/13 THERMC 7H 7O 2 0G 300.0000 5000.0000 1393.00 1 2.34089224e+01 1.94710682e-02-6.88461038e-06 1.09305933e-09-6.44198189e-14 2 -2.25981891e+04-1.00680802e+02-7.52070990e+00 1.02608161e-01-9.63634740e-05 3 4.67996378e-08-9.30610980e-12-1.28835146e+04 6.17472818e+01 4 C10H9 8/ 1/14 C 10H 9 0 0G 300.0000 5000.0000 1400.00 1 2.38106050e+01 2.62759134e-02-9.03410346e-06 1.40846974e-09-8.19868245e-14 2 2.17693925e+04-1.08812871e+02-8.57185280e+00 1.04813339e-01-8.23073049e-05 3 3.30788758e-08-5.51151023e-12 3.25827094e+04 6.38750125e+01 4 C10H9OOH 7/24/14 C 10H 10O 2 0G 300.0000 5000.0000 1399.00 1 3.21118349e+01 2.58531961e-02-8.86864501e-06 1.38191401e-09-8.04512442e-14 2 -9.16176097e+03-1.51050884e+02-1.20878180e+01 1.43006390e-01-1.30281034e-04 3 5.99488544e-08-1.11576654e-11 4.62698225e+03 8.11804565e+01 4 C10H9OO 7/24/14 C 10H 9O 2 0G 300.0000 5000.0000 1401.00 1 3.11297766e+01 2.45364115e-02-8.40716327e-06 1.30903402e-09-7.61706644e-14 2 8.09876782e+03-1.44151538e+02-9.88880704e+00 1.30581621e-01-1.14659926e-04 3 5.05737907e-08-9.02343007e-12 2.10965691e+04 7.21929449e+01 4 TETROXYB 7/24/14 C 10H 11O 1 0G 300.0000 5000.0000 1405.00 1 2.91562469e+01 2.85205264e-02-9.64082412e-06 1.48743059e-09-8.59992279e-14 2 -3.88618286e+03-1.33956810e+02-9.88634853e+00 1.23890580e-01-9.80827225e-05 3 3.87538643e-08-6.17422793e-12 8.96376334e+03 7.37923900e+01 4 C8H6O BENZOFURAN T03/04C 8.H 6.O 1. 0.G 200.0000 6000.0000 1000.00 1 1.61267559e+01 2.42942790e-02-8.82919089e-06 1.43722155e-09-8.65592465e-14 2 -5.70905569e+03-6.40125247e+01-4.90142148e+00 7.43755272e-02-4.43407817e-05 3 6.32936815e-09 1.47981416e-12 5.79383205e+02 4.68972169e+01 4 TETRARSOOH 7/24/14 C 10H 12O 2 0G 300.0000 5000.0000 1402.00 1 3.28978900e+01 2.97276968e-02-1.00891426e-05 1.56083821e-09-9.04156292e-14 2 -2.41042536e+04-1.54516824e+02-9.42535559e+00 1.33973643e-01-1.08047507e-04 3 4.36285556e-08-7.13344905e-12-1.02394970e+04 7.04234601e+01 4 TETRARSO2 7/24/14 C 10H 11O 2 0G 300.0000 5000.0000 1416.00 1 3.11100531e+01 2.85319101e-02-9.54646354e-06 1.46259544e-09-8.41479874e-14 2 -6.28364678e+03-1.42422384e+02-7.86169145e+00 1.25943098e-01-1.02188564e-04 3 4.14707238e-08-6.75023870e-12 6.29703704e+03 6.41194101e+01 4 TETRARBOOH 7/24/14 C 10H 12O 2 0G 300.0000 5000.0000 1409.00 1 3.34760861e+01 2.90967726e-02-9.84148133e-06 1.51912207e-09-8.78649873e-14 2 -2.27648492e+04-1.58084902e+02-1.24711000e+01 1.47529830e-01-1.27327769e-04 3 5.50210322e-08-9.56192523e-12-8.23487263e+03 8.42597247e+01 4 TETRARBO2 7/24/14 C 10H 11O 2 0G 300.0000 5000.0000 1404.00 1 3.30300388e+01 2.78798229e-02-9.53534750e-06 1.48294878e-09-8.62219527e-14 2 -5.91830594e+03-1.54744671e+02-1.02436181e+01 1.34353239e-01-1.09121319e-04 3 4.38445840e-08-7.07315668e-12 8.24020307e+03 7.52344921e+01 4 C8H8 Benzocybutan T08/06C 8.H 8. 0. 0.G 200.0000 6000.0000 1000.00 1 1.43681552e+01 2.84097401e-02-1.02759461e-05 1.66702616e-09-1.00149325e-13 2 1.67143238e+04-5.61535514e+01-3.49067782e+00 6.15922756e-02-1.38610791e-05 3 -1.92749823e-08 9.10328962e-12 2.25717477e+04 4.05007375e+01 4 TETRAH2 7/18/14 THERMC 10H 14 0 0G 300.0000 5000.0000 1381.00 1 2.96332769e+01 3.59647360e-02-1.28018511e-05 2.04144487e-09-1.20675025e-13 2 -1.19268536e+04-1.49461804e+02-1.69095446e+01 1.44134572e-01-1.11029367e-04 3 4.48296171e-08-7.87350051e-12 4.31762062e+03 1.00839063e+02 4 TETRAH 7/18/14 THERMC 10H 13 0 0G 300.0000 5000.0000 1377.00 1 2.99950998e+01 3.32947865e-02-1.19250636e-05 1.90944361e-09-1.13193652e-13 2 4.78416616e+03-1.52219668e+02-1.69476886e+01 1.40813091e-01-1.06916599e-04 3 4.16821963e-08-7.02197037e-12 2.12553456e+04 1.00667001e+02 4 MH2INDS 7/15/14 C 10H 11 0 0G 300.0000 5000.0000 1390.00 1 2.56970391e+01 3.02929633e-02-1.06233541e-05 1.67726290e-09-9.84614147e-14 2 7.75062143e+03-1.18960957e+02-8.54325024e+00 1.16061560e-01-9.73913007e-05 3 4.43470564e-08-8.65148304e-12 1.92175184e+04 6.32257236e+01 4 CH3A1C3H4 5/20/14 C 10H 11 0 0G 300.0000 5000.0000 1390.00 1 2.56221459e+01 2.97091466e-02-1.03706158e-05 1.63229988e-09-9.56151449e-14 2 1.81897902e+04-1.14906801e+02-5.04835289e+00 1.04997700e-01-8.48241517e-05 3 3.75391351e-08-7.21078237e-12 2.86143617e+04 4.88283797e+01 4 MINDH2 7/ 9/14 THERMC 10H 12 0 0G 300.0000 5000.0000 1394.00 1 2.49659484e+01 3.31279116e-02-1.15254754e-05 1.81003618e-09-1.05862414e-13 2 -9.53975314e+03-1.15037859e+02-1.07272963e+01 1.23792891e-01-1.04343175e-04 3 4.77130799e-08-9.28778507e-12 2.26759798e+03 7.43948342e+01 4 CH2INDH2 7/ 9/14 THERMC 10H 11 0 0G 300.0000 5000.0000 1396.00 1 2.42430389e+01 3.10538001e-02-1.07775467e-05 1.68979098e-09-9.87156211e-14 2 1.58137690e+04-1.07939656e+02-1.00794013e+01 1.20970665e-01-1.05973719e-04 3 5.01203345e-08-9.95664140e-12 2.69103869e+04 7.32782950e+01 4 MIND 7/ 9/14 THERMC 10H 10 0 0G 300.0000 5000.0000 1386.00 1 2.44037201e+01 2.95274830e-02-1.04200741e-05 1.65213102e-09-9.72735655e-14 2 5.30761100e+03-1.18051159e+02-1.04716910e+01 1.12252375e-01-8.79170265e-05 3 3.66846943e-08-6.65084815e-12 1.73507306e+04 6.89773485e+01 4 MINDR 7/ 9/14 C 10H 9 0 0G 300.0000 5000.0000 1380.00 1 2.52393376e+01 2.65020734e-02-9.43040739e-06 1.50346993e-09-8.88592138e-14 2 2.25716183e+04-1.23631821e+02-8.30864527e+00 1.04503214e-01-8.06391458e-05 3 3.28903775e-08-5.87111164e-12 3.43055987e+04 5.68250692e+01 4 C10H10 5/23/14 THERMC 10H 10 0 0G 300.0000 5000.0000 1403.00 1 2.40610497e+01 2.79350680e-02-9.46339028e-06 1.46107409e-09-8.44818299e-14 2 4.85812686e+03-1.08724430e+02-8.37904556e+00 1.07022476e-01-8.34649190e-05 3 3.34025381e-08-5.52145866e-12 1.56270237e+04 6.40840086e+01 4 TETRA 5/20/14 C 10H 12 0 0G 300.0000 5000.0000 1401.00 1 2.48566609e+01 3.31575221e-02-1.14281131e-05 1.78366573e-09-1.03875884e-13 2 -9.68535009e+03-1.15490319e+02-1.08732192e+01 1.22831068e-01-1.00357847e-04 3 4.36488269e-08-8.01433383e-12 2.09903715e+03 7.42577720e+01 4 TETRARS 5/20/14 C 10H 11 0 0G 300.0000 5000.0000 1402.00 1 2.34772235e+01 3.16872709e-02-1.08997249e-05 1.69893930e-09-9.88503096e-14 2 1.41161129e+04-1.03944192e+02-9.74219166e+00 1.14200074e-01-9.15667822e-05 3 3.90560261e-08-7.04880463e-12 2.51421742e+04 7.27460557e+01 4 CH3A1C3H5 5/20/14 C 10H 12 0 0G 300.0000 5000.0000 1388.00 1 2.48429922e+01 3.24828432e-02-1.13252187e-05 1.78110758e-09-1.04272601e-13 2 -4.85205902e+02-1.09978669e+02-5.22350604e+00 1.01924896e-01-7.49592604e-05 3 3.03135001e-08-5.49878949e-12 1.01587038e+04 5.20556341e+01 4 CH2A1C3H5 5/20/14 C 10H 11 0 0G 300.0000 5000.0000 1390.00 1 2.56221459e+01 2.97091466e-02-1.03706158e-05 1.63229988e-09-9.56151449e-14 2 1.81897902e+04-1.14906801e+02-5.04835289e+00 1.04997700e-01-8.48241517e-05 3 3.75391351e-08-7.21078237e-12 2.86143617e+04 4.88283797e+01 4 C2A1C*C 5/20/14 C 10H 12 0 0G 300.0000 5000.0000 1390.00 1 2.66180133e+01 2.93271042e-02-9.89784104e-06 1.52497418e-09-8.80694956e-14 2 -1.97952726e+03-1.17158742e+02-6.88708239e+00 1.13723506e-01-9.38342195e-05 3 4.11561885e-08-7.60660404e-12 9.01841720e+03 6.06339314e+01 4 CJCA1C*C 5/20/14 C 10H 11 0 0G 300.0000 5000.0000 1395.00 1 2.61314322e+01 2.70549442e-02-9.08205807e-06 1.39417504e-09-8.03093678e-14 2 2.32900846e+04-1.10722921e+02-7.16951460e+00 1.15358707e-01-1.01949270e-04 3 4.74751949e-08-9.12629200e-12 3.37903465e+04 6.44403019e+01 4 TETRARB 5/20/14 C 10H 11 0 0G 300.0000 5000.0000 1396.00 1 2.54663530e+01 3.05218791e-02-1.06146028e-05 1.66668094e-09-9.74699064e-14 2 7.64751403e+03-1.19145647e+02-8.71958360e+00 1.15387264e-01-9.41833672e-05 3 4.10145766e-08-7.59475048e-12 1.90520270e+04 6.28010851e+01 4 C*CA1C*C 5/20/14 C 10H 10 0 0G 300.0000 5000.0000 1396.00 1 2.48726113e+01 2.66267189e-02-9.05293480e-06 1.40048021e-09-8.10702052e-14 2 1.35964817e+04-1.07595362e+02-3.89349111e+00 1.01433912e-01-8.66405743e-05 3 3.96942297e-08-7.62228478e-12 2.28591785e+04 4.43152112e+01 4 NAPHO 2/25/14 THERMC 10H 7O 1 0G 300.0000 5000.0000 1402.00 1 2.56023201e+01 2.26812218e-02-7.89092088e-06 1.23945963e-09-7.25073790e-14 2 2.24009056e+03-1.17867536e+02-7.18623450e+00 1.11509375e-01-1.03461925e-04 3 4.95933394e-08-9.68692869e-12 1.24107552e+04 5.39663905e+01 4 DMCPD 1/29/14 THERMC 7H 10 0 0G 300.0000 5000.0000 1386.00 1 2.00248060e+01 2.43495490e-02-8.53823668e-06 1.34790861e-09-7.91193117e-14 2 -3.09399678e+03-8.84053401e+01-4.82340750e+00 8.50625196e-02-6.89290712e-05 3 3.10077815e-08-6.11095575e-12 5.43505899e+03 4.44497051e+01 4 DMCPDR 1/29/14 THERMC 7H 9 0 0G 300.0000 5000.0000 1389.00 1 2.04343496e+01 2.14241190e-02-7.52207770e-06 1.18852109e-09-6.98061615e-14 2 1.02066346e+04-8.87542108e+01-4.56858034e+00 8.66194297e-02-7.70176014e-05 3 3.71987602e-08-7.58546684e-12 1.83845398e+04 4.34855535e+01 4 O-CH2TOLCH2OOH THERMC 9H 11O 2 0G 300.0000 5000.0000 1384.00 1 2.80509546e+01 2.99560496e-02-1.04971757e-05 1.65637340e-09-9.71917558e-14 2 -4.70742211e+03-1.19852859e+02-9.03530376e-01 1.01653707e-01-8.40063435e-05 3 3.92786874e-08-8.05798253e-12 5.23206435e+03 3.47959403e+01 4 T124MBZ RUSCIC C 9H 12O 0 0G 298.0000 5000.0000 1392.00 1 2.25964175e+01 3.07854835e-02-1.05107931e-05 1.63052847e-09-9.45678618e-14 2 -1.37997667e+04-9.91807521e+01-4.52031910e+00 9.10856982e-02-6.10521718e-05 3 2.11015054e-08-3.13265418e-12-4.13404706e+03 4.74776319e+01 4 O-XYLCH2 2012 C 9H 11O 0 0G 300.0000 5000.0000 1392.00 1 2.39581012e+01 2.75181275e-02-9.38842803e-06 1.45597138e-09-8.44340996e-14 2 5.14316220e+03-1.04756566e+02-4.13497753e+00 9.53293590e-02-7.34716801e-05 3 3.02026049e-08-5.32197819e-12 1.46587662e+04 4.53585002e+01 4 O-XYLCH2OOH 2012 C 9H 12O 2 0G 300.0000 5000.0000 1384.00 1 2.78519913e+01 3.14489646e-02-1.09323959e-05 1.71625646e-09-1.00360904e-13 2 -2.54092348e+04-1.18728930e+02-2.56628790e+00 1.01842484e-01-7.53475006e-05 3 3.04480849e-08-5.49420861e-12-1.46831201e+04 4.51040792e+01 4 O-XYLCH2OO 2012 C 9H 11O 2 0G 300.0000 5000.0000 1384.00 1 2.74786041e+01 2.98261426e-02-1.04133885e-05 1.63950767e-09-9.60651674e-14 2 -7.04577405e+03-1.17126127e+02-2.93984997e+00 1.00230784e-01-7.46615024e-05 3 3.01128652e-08-5.39448469e-12 3.66253403e+03 4.66736931e+01 4 O-XYLCH2O 2012 C 9H 11O 1 0G 300.0000 5000.0000 1379.00 1 2.36857214e+01 2.99905652e-02-1.01884070e-05 1.57646499e-09-9.13070824e-14 2 -6.11566572e+03-9.88580414e+01-4.14022989e+00 9.30579019e-02-6.55896152e-05 3 2.48763103e-08-4.20921802e-12 3.76054722e+03 5.13616298e+01 4 O-XYLCHO 2012 C 9H 10O 1 0G 300.0000 5000.0000 1372.00 1 2.31358247e+01 2.81807117e-02-9.62221828e-06 1.49399799e-09-8.67401397e-14 2 -2.41672246e+04-9.66934594e+01-1.96425710e+00 8.20459706e-02-5.33528270e-05 3 1.82701152e-08-2.85579173e-12-1.49494352e+04 3.98966887e+01 4 O-XYLCO 2012 C 9H 9O 1 0G 300.0000 5000.0000 1374.00 1 2.32503000e+01 2.55969013e-02-8.74279116e-06 1.35782810e-09-7.88519658e-14 2 -6.36738572e+03-9.54882027e+01-1.18621852e+00 7.92545561e-02-5.35425253e-05 3 1.89842491e-08-3.00658522e-12 2.45682686e+03 3.70079931e+01 4 O-XYL 2012 DraegC 8H 10O 0 0g 298.0000 5000.0000 1393.00 1 1.94360884e+01 2.67127238e-02-9.20115418e-06 1.43547260e-09-8.35723465e-14 2 -8.13186710e+03-8.21469657e+01-5.48061994e+00 8.68042898e-02-6.68481581e-05 3 2.81706209e-08-5.18167274e-12 3.96907245e+02 5.11636761e+01 4 O-CH3C6H4CH2 2012 C 8H 9O 0 0g 300.0000 5000.0000 1395.00 1 2.07324230e+01 2.35417931e-02-8.11892856e-06 1.26773140e-09-7.38526644e-14 2 1.08491884e+04-8.77408764e+01-5.14234885e+00 9.13700365e-02-7.98004999e-05 3 3.75980704e-08-7.43523326e-12 1.91935309e+04 4.88299766e+01 4 O-CH3C6H4CH2OO 11 THERMC 8H 9O 2 0G 300.0000 5000.0000 1381.00 1 2.29655269e+01 2.61981843e-02-9.19916109e-06 1.45359015e-09-8.53776304e-14 2 -1.94932773e+03-9.39677964e+01-7.22070186e-01 7.86810337e-02-5.52563192e-05 3 2.15731850e-08-3.91891305e-12 6.70772375e+03 3.45695658e+01 4 O-CH3C6H4CH2OOH 11 THERMC 8H 10O 2 0G 300.0000 5000.0000 1384.00 1 2.48705290e+01 2.70784794e-02-9.49238562e-06 1.49832155e-09-8.79417225e-14 2 -1.96027395e+04-1.05034091e+02-1.49161127e+00 8.68329203e-02-6.27487348e-05 3 2.46475919e-08-4.36606742e-12-1.01740983e+04 3.74090961e+01 4 O-CH2C6H4CH2OOH C 8H 9O 2 0G 300.0000 5000.0000 1388.00 1 2.56528549e+01 2.42932592e-02-8.53189065e-06 1.34839742e-09-7.92113926e-14 2 -9.27938160e+02-1.08880133e+02-1.33782390e+00 8.99602874e-02-7.26175854e-05 3 3.18090254e-08-6.04549150e-12 8.28559987e+03 3.53853184e+01 4 O-XYLOOQOOH ERMC 8H 9O 4 0G 300.0000 5000.0000 1380.00 1 2.85047776e+01 2.63899732e-02-9.31795235e-06 1.47783932e-09-8.70275851e-14 2 -1.31832118e+04-1.16690430e+02 9.30413107e-01 8.99288017e-02-6.78356133e-05 3 2.81623347e-08-5.26990911e-12-3.37585221e+03 3.20276949e+01 4 O-XYLKET 3/ 3/11 THERMC 8H 8O 3 0G 300.0000 5000.0000 1386.00 1 2.69360576e+01 2.28598099e-02-8.05694035e-06 1.27641973e-09-7.51116911e-14 2 -3.03018709e+04-1.12082514e+02-1.14766722e-01 8.72215029e-02-6.85797015e-05 3 2.87375763e-08-5.22543144e-12-2.09807927e+04 3.29143064e+01 4 PCHOTOLCH2O 2012 C 9H 9O 2 0G 300.0000 5000.0000 1371.00 1 2.38626730e+01 2.80765110e-02-9.69541487e-06 1.51646077e-09-8.84847489e-14 2 -1.63639763e+04-9.54928681e+01-1.16539837e+00 8.22415654e-02-5.54188489e-05 3 2.06157748e-08-3.62856350e-12-7.11988893e+03 4.07244087e+01 4 PCHOTOLCH2 2012 C 9H 9O 1 0G 300.0000 5000.0000 1379.00 1 2.42791871e+01 2.51543795e-02-8.59067806e-06 1.33406642e-09-7.74653905e-14 2 -5.10801725e+03-1.01377558e+02-1.30412122e+00 8.49858457e-02-6.36219850e-05 3 2.57814973e-08-4.60828679e-12 3.80331867e+03 3.61105145e+01 4 PCHOTOLCHO 2012 C 9H 8O 2 0G 300.0000 5000.0000 1366.00 1 2.29851683e+01 2.65128220e-02-9.11507919e-06 1.42161612e-09-8.27900116e-14 2 -3.42016201e+04-9.12999765e+01 1.07059529e+00 7.08875802e-02-4.23315833e-05 3 1.31018121e-08-1.94746641e-12-2.58384577e+04 2.89889800e+01 4 PCHOTOLCO 2012 C 9H 7O 2 0G 300.0000 5000.0000 1368.00 1 2.30091729e+01 2.39331694e-02-8.22149229e-06 1.28164739e-09-7.46174066e-14 2 -1.63451489e+04-8.88273515e+01 1.88060671e+00 6.79424125e-02-4.24548539e-05 3 1.37930726e-08-2.08520738e-12-8.43544470e+03 2.66556875e+01 4 C6H5CH3 l 6/87C 7H 8 0 0g 200.0000 6000.0000 1000.00 1 1.29400340e+01 2.66912870e-02-9.68385050e-06 1.57386290e-09-9.46636010e-14 2 -6.58670574e+02-4.66855421e+01-2.43395373e+00 5.52665414e-02-1.43012594e-05 3 -1.34211314e-08 6.31647300e-12 4.43334754e+03 3.66432002e+01 4 C6H5CH2 iu3/03C 7H 7 0 0g 250.0000 6000.0000 1000.00 1 1.47230520e+01 2.30342440e-02-8.48473590e-06 1.39169620e-09-8.42479670e-14 2 1.80276246e+04-5.58951695e+01-5.82826779e+00 8.66126547e-02-9.21076274e-05 3 6.01075263e-08-1.82042775e-11 2.36090846e+04 4.92594173e+01 4 P-XYL 2012 DraegC 8H 10O 0 0g 298.0000 5000.0000 1393.00 1 1.94360884e+01 2.67127238e-02-9.20115418e-06 1.43547260e-09-8.35723465e-14 2 -8.13186710e+03-8.21469657e+01-5.48061994e+00 8.68042898e-02-6.68481581e-05 3 2.81706209e-08-5.18167274e-12 3.96907245e+02 5.11636761e+01 4 P-CH3C6H4CH2 2012 C 8H 9O 0 0g 300.0000 5000.0000 1395.00 1 2.07324230e+01 2.35417931e-02-8.11892856e-06 1.26773140e-09-7.38526644e-14 2 1.08491884e+04-8.77408764e+01-5.14234885e+00 9.13700365e-02-7.98004999e-05 3 3.75980704e-08-7.43523326e-12 1.91935309e+04 4.88299766e+01 4 T135MBZ RUSCIC C 9H 12O 0 0G 298.0000 5000.0000 1392.00 1 2.25964175e+01 3.07854835e-02-1.05107931e-05 1.63052847e-09-9.45678618e-14 2 -1.37997667e+04-9.91807521e+01-4.52031910e+00 9.10856982e-02-6.10521718e-05 3 2.11015054e-08-3.13265418e-12-4.13404706e+03 4.74776319e+01 4 P-XYLCH2 2012 C 9H 11O 0 0G 300.0000 5000.0000 1392.00 1 2.39581012e+01 2.75181275e-02-9.38842803e-06 1.45597138e-09-8.44340996e-14 2 5.14316220e+03-1.04756566e+02-4.13497753e+00 9.53293590e-02-7.34716801e-05 3 3.02026049e-08-5.32197819e-12 1.46587662e+04 4.53585002e+01 4 P-XYLCH2OOH 2012 C 9H 12O 2 0G 300.0000 5000.0000 1384.00 1 2.78519913e+01 3.14489646e-02-1.09323959e-05 1.71625646e-09-1.00360904e-13 2 -2.54092348e+04-1.18728930e+02-2.56628790e+00 1.01842484e-01-7.53475006e-05 3 3.04480849e-08-5.49420861e-12-1.46831201e+04 4.51040792e+01 4 P-XYLCH2OO 2012 C 9H 11O 2 0G 300.0000 5000.0000 1384.00 1 2.74786041e+01 2.98261426e-02-1.04133885e-05 1.63950767e-09-9.60651674e-14 2 -7.04577405e+03-1.17126127e+02-2.93984997e+00 1.00230784e-01-7.46615024e-05 3 3.01128652e-08-5.39448469e-12 3.66253403e+03 4.66736931e+01 4 P-XYLCH2O 2012 C 9H 11O 1 0G 300.0000 5000.0000 1379.00 1 2.36857214e+01 2.99905652e-02-1.01884070e-05 1.57646499e-09-9.13070824e-14 2 -6.11566572e+03-9.88580414e+01-4.14022989e+00 9.30579019e-02-6.55896152e-05 3 2.48763103e-08-4.20921802e-12 3.76054722e+03 5.13616298e+01 4 P-XYLCHO 2012 C 9H 10O 1 0G 300.0000 5000.0000 1372.00 1 2.31358247e+01 2.81807117e-02-9.62221828e-06 1.49399799e-09-8.67401397e-14 2 -2.41672246e+04-9.66934594e+01-1.96425710e+00 8.20459706e-02-5.33528270e-05 3 1.82701152e-08-2.85579173e-12-1.49494352e+04 3.98966887e+01 4 P-XYLCO 2012 C 9H 9O 1 0G 300.0000 5000.0000 1374.00 1 2.32503000e+01 2.55969013e-02-8.74279116e-06 1.35782810e-09-7.88519658e-14 2 -6.36738572e+03-9.54882027e+01-1.18621852e+00 7.92545561e-02-5.35425253e-05 3 1.89842491e-08-3.00658522e-12 2.45682686e+03 3.70079931e+01 4 CH3C6H3CH3 2/ 9/11 THERMC 8H 9 0 0G 300.0000 5000.0000 1391.00 1 1.77730732e+01 2.56908764e-02-8.87032536e-06 1.38580821e-09-8.07516333e-14 2 2.33300639e+04-6.98691667e+01-2.46103339e+00 7.29856155e-02-5.34677512e-05 3 2.22509704e-08-4.19935137e-12 3.04920081e+04 3.90749815e+01 4 CH3C6H4CHO 2/ 9/11 THERMC 8H 8O 1 0G 300.0000 5000.0000 1385.00 1 2.15355728e+01 2.21029834e-02-7.56076685e-06 1.17505790e-09-6.82594863e-14 2 -1.90198769e+04-8.99129471e+01-2.01261090e+00 7.67085881e-02-5.62244016e-05 3 2.15014790e-08-3.52919857e-12-1.08536548e+04 3.66499515e+01 4 CH3C6H4CO 2/ 9/11 THERMC 8H 7O 1 0G 300.0000 5000.0000 1393.00 1 2.03485073e+01 2.08606203e-02-7.09789740e-06 1.09875585e-09-6.36379934e-14 2 -5.86348005e+02-8.25366903e+01-7.87259748e-01 7.21629843e-02-5.58734507e-05 3 2.30900383e-08-4.08064025e-12 6.54123421e+03 3.02955831e+01 4 HOCH3C6H3CH3 THERMC 8H 10O 1 0G 300.0000 5000.0000 1394.00 1 2.18399583e+01 2.67301470e-02-9.19246244e-06 1.43254548e-09-8.33371290e-14 2 -3.01280408e+04-9.11933874e+01-2.21953116e+00 8.40148570e-02-6.31681684e-05 3 2.59624589e-08-4.67959461e-12-2.18285663e+04 3.77741773e+01 4 OCH3C6H3CH3 THERMC 8H 9O 1 0G 300.0000 5000.0000 1383.00 1 2.15355770e+01 2.51599422e-02-8.81158337e-06 1.38996320e-09-8.15442748e-14 2 -1.28341731e+04-8.86566744e+01-1.58262770e+00 7.65818766e-02-5.36592959e-05 3 2.05498488e-08-3.60804313e-12-4.44936670e+03 3.66388443e+01 4 P-CH3C6H4CH2OOH 11 THERMC 8H 10O 2 0G 300.0000 5000.0000 1384.00 1 2.48705290e+01 2.70784794e-02-9.49238562e-06 1.49832155e-09-8.79417225e-14 2 -1.96027395e+04-1.05034091e+02-1.49161127e+00 8.68329203e-02-6.27487348e-05 3 2.46475919e-08-4.36606742e-12-1.01740983e+04 3.74090961e+01 4 P-CH3C6H4CH2OO 1 THERMC 8H 9O 2 0G 300.0000 5000.0000 1381.00 1 2.29655269e+01 2.61981843e-02-9.19916109e-06 1.45359015e-09-8.53776304e-14 2 -1.94932773e+03-9.39677964e+01-7.22070186e-01 7.86810337e-02-5.52563192e-05 3 2.15731850e-08-3.91891305e-12 6.70772375e+03 3.45695658e+01 4 CH3C6H4CH2O 11 THERMC 8H 9O 1 0G 300.0000 5000.0000 1384.00 1 2.11703280e+01 2.53464121e-02-8.84886707e-06 1.39299564e-09-8.16090100e-14 2 -9.14077718e+01-8.71618243e+01-2.23641907e+00 7.68626229e-02-5.25804260e-05 3 1.92215862e-08-3.18581575e-12 8.40839886e+03 3.98102669e+01 4 N2 G 8/02N 2 0 0 0G 200.0000 6000.0000 1000.00 1 2.95257637e+00 1.39690040e-03-4.92631603e-07 7.86010195e-11-4.60755204e-15 2 -9.24505593e+02 5.87126977e+00 3.58885730e+00-6.11813315e-04 9.20967467e-07 3 7.32420315e-10-6.99593130e-13-1.05208706e+03 2.73371765e+00 4 C6H5CH2CH2OO 3/11 THERMC 8H 9O 2 0G 300.0000 5000.0000 1392.00 1 2.32195676e+01 2.60543894e-02-9.06848696e-06 1.42450939e-09-8.33254784e-14 2 -9.13930400e+02-9.41791390e+01-3.51932644e+00 9.48032377e-02-8.12272716e-05 3 3.83139876e-08-7.71125171e-12 7.92419248e+03 4.75749977e+01 4 C6H5CHOOCH3 3/11 THERMC 8H 9O 2 0G 300.0000 5000.0000 1391.00 1 2.39389417e+01 2.55802179e-02-8.93645471e-06 1.40728440e-09-8.24626131e-14 2 -2.88695511e+03-9.83863779e+01-4.73225498e+00 1.00469888e-01-8.86861336e-05 3 4.25686380e-08-8.62377586e-12 6.46129685e+03 5.31775986e+01 4 BBZQDQJC 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1394.00 1 3.61027915e+01 3.40077547e-02-1.18624314e-05 1.86619563e-09-1.09279047e-13 2 -2.54718925e+04-1.55874206e+02-4.27995387e+00 1.41609499e-01-1.28169309e-04 3 6.22470372e-08-1.25998005e-11-1.25580909e+04 5.67734398e+01 4 BBZQDQJB 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1394.00 1 3.61027915e+01 3.40077547e-02-1.18624314e-05 1.86619563e-09-1.09279047e-13 2 -2.54718925e+04-1.55874206e+02-4.27995387e+00 1.41609499e-01-1.28169309e-04 3 6.22470372e-08-1.25998005e-11-1.25580909e+04 5.67734398e+01 4 BBZQCQJD 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1394.00 1 3.61027915e+01 3.40077547e-02-1.18624314e-05 1.86619563e-09-1.09279047e-13 2 -2.54718925e+04-1.55874206e+02-4.27995387e+00 1.41609499e-01-1.28169309e-04 3 6.22470372e-08-1.25998005e-11-1.25580909e+04 5.67734398e+01 4 BBZQBQJD 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1394.00 1 3.61027915e+01 3.40077547e-02-1.18624314e-05 1.86619563e-09-1.09279047e-13 2 -2.54718925e+04-1.55874206e+02-4.27995387e+00 1.41609499e-01-1.28169309e-04 3 6.22470372e-08-1.25998005e-11-1.25580909e+04 5.67734398e+01 4 BBZQDQJA 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1401.00 1 3.27099760e+01 3.80904015e-02-1.29667781e-05 2.00644744e-09-1.16130582e-13 2 -2.21960336e+04-1.35550080e+02-2.96527849e+00 1.35221825e-01-1.20051613e-04 3 5.83106689e-08-1.18095014e-11-1.09891663e+04 5.15794446e+01 4 BBZQAQJD 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1401.00 1 3.27099760e+01 3.80904015e-02-1.29667781e-05 2.00644744e-09-1.16130582e-13 2 -2.21960336e+04-1.35550080e+02-2.96527849e+00 1.35221825e-01-1.20051613e-04 3 5.83106689e-08-1.18095014e-11-1.09891663e+04 5.15794446e+01 4 BBZQAQJB 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1407.00 1 3.27637540e+01 3.69832044e-02-1.24477722e-05 1.91145244e-09-1.10042645e-13 2 -2.28686071e+04-1.35389361e+02-1.34992601e+00 1.28766930e-01-1.11134885e-04 3 5.20906021e-08-1.01706140e-11-1.21621143e+04 4.37190318e+01 4 BBZQBQJA 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1407.00 1 3.27637540e+01 3.69832044e-02-1.24477722e-05 1.91145244e-09-1.10042645e-13 2 -2.28686071e+04-1.35389361e+02-1.34992601e+00 1.28766930e-01-1.11134885e-04 3 5.20906021e-08-1.01706140e-11-1.21621143e+04 4.37190318e+01 4 BBZQAQJC 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1407.00 1 3.27637540e+01 3.69832044e-02-1.24477722e-05 1.91145244e-09-1.10042645e-13 2 -2.28686071e+04-1.35389361e+02-1.34992601e+00 1.28766930e-01-1.11134885e-04 3 5.20906021e-08-1.01706140e-11-1.21621143e+04 4.37190318e+01 4 BBZQCQJA 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1407.00 1 3.27637540e+01 3.69832044e-02-1.24477722e-05 1.91145244e-09-1.10042645e-13 2 -2.28686071e+04-1.35389361e+02-1.34992601e+00 1.28766930e-01-1.11134885e-04 3 5.20906021e-08-1.01706140e-11-1.21621143e+04 4.37190318e+01 4 BBZQCQJB 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1399.00 1 3.53134294e+01 3.40723317e-02-1.17486465e-05 1.83410555e-09-1.06825799e-13 2 -2.57974999e+04-1.50920013e+02-2.00323868e+00 1.32267977e-01-1.15537291e-04 3 5.42093877e-08-1.06361037e-11-1.38293076e+04 4.58557832e+01 4 BBZQBQJC 2/21/13 THERMC 10H 13O 4 0G 300.0000 5000.0000 1399.00 1 3.53134294e+01 3.40723317e-02-1.17486465e-05 1.83410555e-09-1.06825799e-13 2 -2.57974999e+04-1.50920013e+02-2.00323868e+00 1.32267977e-01-1.15537291e-04 3 5.42093877e-08-1.06361037e-11-1.38293076e+04 4.58557832e+01 4 C6H5C4H8QJD 21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1384.00 1 3.29433924e+01 3.24682623e-02-1.24870478e-05 2.07708155e-09-1.25876772e-13 2 -1.26170164e+04-1.46853689e+02-4.02203881e+00 1.18276518e-01-9.29947948e-05 3 3.98003093e-08-7.64517405e-12 5.38964302e+02 5.24156832e+01 4 BBZQDRC 2/21/13 C 10H 13O 2 0G 300.0000 5000.0000 1378.00 1 3.50019111e+01 2.87252676e-02-1.02736005e-05 1.64342241e-09-9.73577978e-14 2 -6.65744614e+03-1.55069696e+02-4.74082896e+00 1.22176718e-01-9.67849980e-05 3 4.03159273e-08-7.29448885e-12 7.12953497e+03 5.83245453e+01 4 BBZQDRB 2/21/13 C 10H 13O 2 0G 300.0000 5000.0000 1378.00 1 3.50019111e+01 2.87252676e-02-1.02736005e-05 1.64342241e-09-9.73577978e-14 2 -6.65744614e+03-1.55069696e+02-4.74082896e+00 1.22176718e-01-9.67849980e-05 3 4.03159273e-08-7.29448885e-12 7.12953497e+03 5.83245453e+01 4 BBZQDRA 2/21/13 C 10H 13O 2 0G 300.0000 5000.0000 1386.00 1 3.93762569e+01 2.25455378e-02-8.16428066e-06 1.31681682e-09-7.84576081e-14 2 -6.61472247e+03-1.78763038e+02-6.22679747e+00 1.33877020e-01-1.12796976e-04 3 4.69483180e-08-7.99051678e-12 8.51483104e+03 6.41329544e+01 4 BBZQCRD 2/21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1393.00 1 3.24461397e+01 3.23001850e-02-1.12422304e-05 1.76615872e-09-1.03324222e-13 2 -1.20087562e+04-1.43732506e+02-2.44802035e+00 1.18401399e-01-9.59732801e-05 3 4.19401876e-08-7.86378124e-12-2.71073581e+02 4.22507539e+01 4 BBZQCRB 2/21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1392.00 1 3.15907994e+01 3.19126011e-02-1.08769101e-05 1.68615455e-09-9.77710911e-14 2 -5.76824378e+03-1.34830194e+02-3.71190467e+00 1.16931455e-01-9.02800399e-05 3 3.64942043e-08-6.24291784e-12 6.14482450e+03 5.37633341e+01 4 BBZQCRA 2/21/13 C 10H 13O 2 0G 300.0000 5000.0000 1396.00 1 3.13658330e+01 3.30084390e-02-1.14392043e-05 1.79189327e-09-1.04617323e-13 2 -4.30561845e+03-1.33408586e+02-3.79755962e+00 1.21046043e-01-9.93923058e-05 3 4.39749179e-08-8.29170251e-12 7.38789406e+03 5.35438937e+01 4 BBZQBRD 2/21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1393.00 1 3.24461397e+01 3.23001850e-02-1.12422304e-05 1.76615872e-09-1.03324222e-13 2 -1.20087562e+04-1.43732506e+02-2.44802035e+00 1.18401399e-01-9.59732801e-05 3 4.19401876e-08-7.86378124e-12-2.71073581e+02 4.22507539e+01 4 BBZQBRC 2/21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1392.00 1 3.15907994e+01 3.19126011e-02-1.08769101e-05 1.68615455e-09-9.77710911e-14 2 -5.76824378e+03-1.34830194e+02-3.71190467e+00 1.16931455e-01-9.02800399e-05 3 3.64942043e-08-6.24291784e-12 6.14482450e+03 5.37633341e+01 4 BBZQBRA 2/21/13 C 10H 13O 2 0G 300.0000 5000.0000 1396.00 1 3.13658330e+01 3.30084390e-02-1.14392043e-05 1.79189327e-09-1.04617323e-13 2 -4.30561845e+03-1.33408586e+02-3.79755962e+00 1.21046043e-01-9.93923058e-05 3 4.39749179e-08-8.29170251e-12 7.38789406e+03 5.35438937e+01 4 BBZQARD 2/21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1390.00 1 3.20992779e+01 3.26909419e-02-1.13986543e-05 1.79285634e-09-1.04971900e-13 2 -1.02127988e+04-1.40489501e+02-1.54383197e+00 1.13100766e-01-8.77071613e-05 3 3.68442940e-08-6.75528439e-12 1.37276766e+03 3.97640014e+01 4 BBZQARC 2/21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1403.00 1 2.93863915e+01 3.42926490e-02-1.12686664e-05 1.70423736e-09-9.71300419e-14 2 -2.97545101e+03-1.20560825e+02-3.16692547e+00 1.13556207e-01-8.52482244e-05 3 3.35099057e-08-5.48304152e-12 7.83472299e+03 5.28748404e+01 4 BBZQARB 2/21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1403.00 1 2.93863915e+01 3.42926490e-02-1.12686664e-05 1.70423736e-09-9.71300419e-14 2 -2.97545101e+03-1.20560825e+02-3.16692547e+00 1.13556207e-01-8.52482244e-05 3 3.35099057e-08-5.48304152e-12 7.83472299e+03 5.28748404e+01 4 C6H5C4H8QJA 21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1392.00 1 2.90162301e+01 3.52898469e-02-1.21938858e-05 1.90620549e-09-1.11128246e-13 2 -9.66683343e+03-1.21874777e+02-2.82866189e+00 1.12119979e-01-8.65638319e-05 3 3.70329587e-08-6.96777228e-12 1.28579738e+03 4.85930782e+01 4 C6H5C4H8QJC 21/13 THERMC 10H 13O 2 0G 300.0000 5000.0000 1392.00 1 2.90162301e+01 3.52898469e-02-1.21938858e-05 1.90620549e-09-1.11128246e-13 2 -9.66683343e+03-1.21874777e+02-2.82866189e+00 1.12119979e-01-8.65638319e-05 3 3.70329587e-08-6.96777228e-12 1.28579738e+03 4.85930782e+01 4 H L 6/94H 1 0 0 0G 200.0000 6000.0000 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 2.54736600e+04-4.46682850e-01 2.50000000e+00-3.92886513e-17 6.67249954e-20 3 -4.29218987e-23 8.65108913e-27 2.54736600e+04-4.46682850e-01 4 H2 TPIS78H 2 0 0 0G 200.0000 6000.0000 1000.00 1 2.93286575e+00 8.26608026e-04-1.46402364e-07 1.54100414e-11-6.88804800e-16 2 -8.16773377e+02-1.02844209e+00 2.72950451e+00 4.73044767e-03-9.99751125e-06 3 8.81955383e-09-2.65420211e-12-9.51962285e+02-8.73293905e-01 4 O L 1/90O 1 0 0 0G 200.0000 6000.0000 1000.00 1 2.54363697e+00-2.73162486e-05-4.19029520e-09 4.95481845e-12-4.79553694e-16 2 2.92266196e+04 4.92296853e+00 3.10515657e+00-2.74679549e-03 5.08966440e-06 3 -4.27039527e-09 1.33897547e-12 2.91278345e+04 2.30693336e+00 4 O2 RUS 89O 2 0 0 0G 200.0000 6000.0000 1000.00 1 3.66096065e+00 6.56365811e-04-1.41149627e-07 2.05797935e-11-1.29913436e-15 2 -1.21472233e+03 3.41675492e+00 3.65210084e+00-1.89680109e-03 6.63873748e-06 3 -5.84425450e-09 1.64567476e-12-1.05242765e+03 4.18438093e+00 4 OH IU3/03O 1 H 1 0 0G 200.0000 6000.0000 1000.00 1 2.83853033e+00 1.10741289e-03-2.94000209e-07 4.20698729e-11-2.42289890e-15 2 3.69788133e+03 5.84502779e+00 3.98437509e+00-2.33686097e-03 4.42934920e-06 3 -3.65518641e-09 1.26991307e-12 3.36957057e+03-7.32535010e-02 4 OH* 121286O 1H 1 G 300.0000 5000.0000 1000.00 1 2.88273000e+00 1.01397430e-03-2.27687700e-07 2.17468300e-11-5.12630500e-16 2 5.03014063e+04 5.59571608e+00 3.63725929e+00 1.85144919e-04-1.67631238e-06 3 2.38736717e-09-8.43208204e-13 5.00213006e+04 1.35888791e+00 4 H2O L 5/89H 2 O 1 0 0G 200.0000 6000.0000 1000.00 1 2.67703890e+00 2.97318160e-03-7.73768890e-07 9.44335140e-11-4.26899910e-15 2 -2.98862957e+04 6.88210446e+00 4.24037780e+00-2.38862350e-03 7.54779131e-06 3 -6.71662718e-09 2.28369770e-12-3.02974136e+04-1.01767120e+00 4 HO2 T 1/09H 1O 2 0 0G 200.0000 5000.0000 1000.00 1 4.17228741e+00 1.88117627e-03-3.46277286e-07 1.94657549e-11 1.76256905e-16 2 3.51946978e+01 2.96230740e+00 3.86819472e+00-1.09039832e-03 1.04855974e-05 3 -1.15131891e-08 3.97662371e-12 3.02324012e+02 5.46864898e+00 4 H2O2 T 8/03H 2O 2 0 0G 200.0000 6000.0000 1000.00 1 4.57977305e+00 4.05326003e-03-1.29844730e-06 1.98211400e-10-1.13968792e-14 2 -1.80023857e+04 6.70286690e-01 3.81737636e+00 3.35281017e-03 5.38821803e-06 3 -8.02418292e-09 2.98717866e-12-1.76627691e+04 5.28500788e+00 4 AR G 5/97AR 1 0 0 0G 200.0000 6000.0000 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 4.37967491e+00 2.50000000e+00-3.92886513e-17 6.67249954e-20 3 -4.29218987e-23 8.65108913e-27-7.45375000e+02 4.37967491e+00 4 CH2O T 5/11H 2C 1O 1 0G 200.0000 6000.0000 1000.00 1 3.16952665e+00 6.19320560e-03-2.25056366e-06 3.65975660e-10-2.20149458e-14 2 -1.45426255e+04 6.04879922e+00 4.16445425e+00-4.59859519e-03 2.18332046e-05 3 -1.94058689e-08 5.46293456e-12-1.43236042e+04 3.14537696e+00 4 CO RUS 79C 1O 1 0 0G 200.0000 6000.0000 1000.00 1 3.04848590e+00 1.35172810e-03-4.85794050e-07 7.88536440e-11-4.69807460e-15 2 -1.42665684e+04 6.01659701e+00 3.62641535e+00-1.00594032e-03 2.17076223e-06 3 -4.72971431e-10-3.29690303e-13-1.43482277e+04 3.31898187e+00 4 CO2 L 7/88C 1O 2 0 0G 200.0000 6000.0000 1000.00 1 4.63651110e+00 2.74145690e-03-9.95897590e-07 1.60386660e-10-9.16198570e-15 2 -4.90227131e+04-1.93246520e+00 2.12922625e+00 1.09044950e-02-1.27238723e-05 3 9.15636106e-09-2.93291498e-12-4.83518655e+04 1.08204743e+01 4 HCO T 5/03C 1 H 1 O 1 0 G 200.0000 6000.0000 1000.00 1 3.92001542e+00 2.52279324e-03-6.71004164e-07 1.05615948e-10-7.43798261e-15 2 3.65622687e+03 3.58387423e+00 3.94692891e+00-8.68539749e-04 6.84978805e-06 3 -4.86962347e-09 8.11428724e-13 3.89808565e+03 4.48259577e+00 4 HO2CHO 6/26/95 THERMC 1H 2O 3 0G 300.0000 5000.0000 1378.00 1 9.87503878e+00 4.64663708e-03-1.67230522e-06 2.68624413e-10-1.59595232e-14 2 -3.80474559e+04-2.24904534e+01 2.33038020e+00 2.26477779e-02-1.84498469e-05 3 7.71289029e-09-1.36974799e-12-3.54734720e+04 1.78963165e+01 4 O2CHO 6/26/95 THERMC 1H 1O 3 0G 300.0000 5000.0000 1368.00 1 7.24075139e+00 4.63312951e-03-1.63693995e-06 2.59706693e-10-1.52964699e-14 2 -1.86999258e+04-6.49194269e+00 3.86233757e+00 1.13080119e-02-6.91509143e-06 3 2.55463193e-09-5.15099055e-13-1.73502327e+04 1.21907159e+01 4 HOCHO L 8/88H 2C 1O 2 0G 200.0000 6000.0000 1000.00 1 4.61383160e+00 6.44963640e-03-2.29082510e-06 3.67160470e-10-2.18736750e-14 2 -4.75054750e+04 8.58285833e-01 2.92440715e+00 4.65939820e-03 1.15476647e-05 3 -1.51814067e-08 5.16786634e-12-4.66845676e+04 1.12848305e+01 4 HOCO T05/06H 1 C 1 O 2 0 G 200.0000 6000.0000 1000.00 1 5.39206152e+00 4.11221455e-03-1.48194900e-06 2.39875460e-10-1.43903104e-14 2 -2.38560219e+04-2.23013233e+00 2.43904180e+00 1.17003830e-02-8.59061532e-06 3 3.50478161e-09-8.05778874e-13-2.29854798e+04 1.32443150e+01 4 OCHO ATCT/AC 1 O 2 H 1 0 G 200.0000 6000.0000 1000.00 1 4.14394211e+00 5.59738818e-03-1.99794019e-06 3.16179193e-10-1.85614483e-14 2 -1.72408277e+04 5.08351181e+00 4.15212214e+00 3.75178351e-04 1.23101489e-05 3 -1.26660896e-08 3.86964807e-12-1.69393405e+04 6.45054203e+00 4 HOCH2O2H 4/ 9/98 THERMC 1H 4O 3 0G 300.0000 5000.0000 1422.00 1 1.16303827e+01 7.15133688e-03-2.39035030e-06 3.65772791e-10-2.10199524e-14 2 -4.31057611e+04-3.24250400e+01 1.79198622e+00 3.27778809e-02-2.80516039e-05 3 1.21238340e-08-2.10536234e-12-4.00249464e+04 1.93645072e+01 4 HOCH2O2 4/ 9/98 THERMC 1H 3O 3 0G 300.0000 5000.0000 1412.00 1 9.04545938e+00 7.15223373e-03-2.37005676e-06 3.60083481e-10-2.05750228e-14 2 -2.49387210e+04-1.74176706e+01 2.76882685e+00 2.39754144e-02-2.02115617e-05 3 9.23569464e-09-1.75456305e-12-2.29780983e+04 1.55310021e+01 4 OCH2O2H 4/ 9/98 THERMC 1H 3O 3 0G 300.0000 5000.0000 1420.00 1 1.15398246e+01 5.34291432e-03-1.81878917e-06 2.81968625e-10-1.63584348e-14 2 -1.68218940e+04-3.20678053e+01 1.88212012e+00 3.05449781e-02-2.70179078e-05 3 1.17698218e-08-2.03579276e-12-1.38110682e+04 1.87389599e+01 4 HOCH2O 2/16/99 THERMC 1H 3O 2 0G 300.0000 5000.0000 1452.00 1 6.39521515e+00 7.43673043e-03-2.50422354e-06 3.84879712e-10-2.21778689e-14 2 -2.41122784e+04-6.64033071e+00 4.15074450e+00 7.26456757e-03 4.39246468e-06 3 -5.93696916e-09 1.62169876e-12-2.28062010e+04 7.30500317e+00 4 CH3OH T06/02C 1H 4 O 1 0 G 200.0000 6000.0000 1000.00 1 3.52726795e+00 1.03178783e-02-3.62892944e-06 5.77448016e-10-3.42182632e-14 2 -2.59896384e+04 5.18228093e+00 4.28260578e+00-4.68852914e-03 3.53273605e-05 3 -3.53372609e-08 1.11752703e-11-2.54904230e+04 4.66205201e+00 4 CH2OH IU2/03C 1 H 3 O 1 0 G 200.0000 6000.0000 1000.00 1 5.09314370e+00 5.94761260e-03-2.06497460e-06 3.23008173e-10-1.88125902e-14 2 -4.02563454e+03-1.83752705e+00 3.59932090e+00 6.06644578e-03 6.21226997e-06 3 -1.06126893e-08 4.01462994e-12-3.42307399e+03 6.86085165e+00 4 CH3O IU1/03C 1 H 3 O 1 0 G 200.0000 6000.0000 1000.00 1 4.75779238e+00 7.44142474e-03-2.69705176e-06 4.38090504e-10-2.63537098e-14 2 3.90535290e+02-1.95301775e+00 2.42124178e+00 8.08507260e-03 5.88923381e-06 3 -9.31922180e-09 2.83757577e-12 1.40970895e+03 1.17869664e+01 4 CH3O2H A 7/05C 1 H 4 O 2 0 G 200.0000 6000.0000 1000.00 1 7.76538058e+00 8.61499712e-03-2.98006935e-06 4.68638071e-10-2.75339255e-14 2 -1.82852606e+04-1.43851350e+01 1.58218123e+00 2.86648005e-02-2.72874292e-05 3 1.36667451e-08-2.78488510e-12-1.67725662e+04 1.67207384e+01 4 CH3O2 H 3C 1O 2 0G 300.0000 5000.0000 1000.00 1 4.80390863e+00 9.95844638e-03-3.85301026e-06 6.84740497e-10-4.58402955e-14 2 -7.44501631e+02 1.45835296e+00 2.65765020e+00 1.14733655e-02 6.12706624e-07 3 -4.20641697e-09 1.01093957e-12 1.67158328e+02 1.39025942e+01 4 CH2O2H 1/14/ 5 THERMC 1H 3O 2 0G 300.0000 5000.0000 1357.00 1 9.10784249e+00 5.27260434e-03-1.88170543e-06 3.00561364e-10-1.77865959e-14 2 3.77724801e+03-2.11705445e+01 4.37062988e+00 1.40746841e-02-7.65827186e-06 3 2.05740761e-09-3.00907924e-13 5.68415776e+03 5.14997263e+00 4 CH4 G 8/99C 1 H 4 0 0 G 200.0000 6000.0000 1000.00 1 1.65326226e+00 1.00263099e-02-3.31661238e-06 5.36483138e-10-3.14696758e-14 2 -1.00025105e+04 9.91292097e+00 4.41330138e+00-7.45344640e-03 3.10341176e-05 3 -2.67658643e-08 7.63986503e-12-1.01815948e+04-1.66541368e+00 4 CH3 IU0702C 1 H 3 0 0 G 200.0000 6000.0000 1000.00 1 2.97812060e+00 5.79785200e-03-1.97558000e-06 3.07297900e-10-1.79174160e-14 2 1.65117594e+04 4.72497195e+00 3.42380970e+00 4.09576176e-03-2.85769221e-07 3 2.51190680e-10-3.95219831e-13 1.64433324e+04 2.61647361e+00 4 CH2 IU3/03C 1 H 2 0 0 G 200.0000 6000.0000 1000.00 1 3.14631886e+00 3.03671259e-03-9.96474439e-07 1.50483580e-10-8.57335515e-15 2 4.60431750e+04 4.72554112e+00 3.51869031e+00 2.95212050e-03-2.72195112e-06 3 2.36572741e-09-7.86119869e-13 4.58899568e+04 2.55659274e+00 4 CH2(S) IU6/03C 1 H 2 0 0 G 200.0000 6000.0000 1000.00 1 3.13501686e+00 2.89593926e-03-8.16668090e-07 1.13572697e-10-6.36262835e-15 2 5.05055968e+04 4.06202173e+00 4.03267360e+00-9.75582805e-04 4.20278766e-06 3 -1.90139956e-09-3.69807926e-14 5.03804159e+04-9.76651947e-02 4 CH IU3/03C 1 H 1 0 0 G 200.0000 6000.0000 1000.00 1 2.52093690e+00 1.76536390e-03-4.61476600e-07 5.92896750e-11-3.34745010e-15 2 7.09455107e+04 7.40378779e+00 3.62039368e+00-7.77972830e-04 1.52547723e-06 3 -6.82434909e-10 1.95303255e-13 7.06011054e+04 1.55644810e+00 4 CH* 073003C 1H 1 G 300.0000 5000.0000 1000.00 1 2.19622300e+00 2.34038100e-03-7.05820100e-07 9.00758200e-11-3.85504000e-15 2 1.04351781e+05 9.17836902e+00 3.20018587e+00 2.07300418e-03-5.13478349e-06 3 5.73428159e-09-1.95568346e-12 1.03937141e+05 3.33165289e+00 4 C L 7/88C 1 0 0 0G 200.0000 6000.0000 1000.00 1 2.60558300e+00-1.95934340e-04 1.06737220e-07-1.64239400e-11 8.18705800e-16 2 8.54120197e+04 4.19269444e+00 2.52538913e+00-7.80999030e-05 2.36712637e-08 3 1.16980136e-10-8.71599820e-14 8.54452297e+04 4.64787925e+00 4 C2H6 G 8/88C 2H 6 0 0G 200.0000 6000.0000 1000.00 1 4.04666411e+00 1.53538802e-02-5.47039485e-06 8.77826544e-10-5.23167531e-14 2 -1.24316352e+04-9.51264262e-01 2.65894141e+00 8.27326878e-03 1.97619539e-05 3 -2.27941459e-08 6.85564104e-12-1.13779881e+04 9.26288961e+00 4 C2H5 8/ 4/ 4 THERMC 2H 5 0 0G 300.0000 5000.0000 1387.00 1 5.88784390e+00 1.03076793e-02-3.46844396e-06 5.32499257e-10-3.06512651e-14 2 1.15085057e+04-8.49410120e+00 1.26270774e+00 1.81285264e-02-7.22466388e-06 3 6.86231527e-10 1.29721598e-13 1.34348052e+04 1.74487105e+01 4 C2H4 G 1/00C 2 H 4 0 0 G 200.0000 6000.0000 1000.00 1 3.99182724e+00 1.04833908e-02-3.71721342e-06 5.94628366e-10-3.53630386e-14 2 4.28393051e+03-2.52138871e-01 2.37271850e+00 5.81614019e-03 1.80494020e-05 3 -2.24604156e-08 7.53942490e-12 5.22992950e+03 1.05075287e+01 4 C2H3 ATCT/AC 2 H 3 0 0 G 200.0000 6000.0000 1000.00 1 4.15026763e+00 7.54021341e-03-2.62997847e-06 4.15974048e-10-2.45407509e-14 2 3.38661299e+04 1.73865259e+00 2.37775263e+00 8.58578339e-03 3.69212625e-06 3 -8.27488533e-09 3.07115893e-12 3.45620665e+04 1.18991583e+01 4 C2H2 G 1/91C 2 H 2 0 0 G 200.0000 6000.0000 1000.00 1 4.65878489e+00 4.88396667e-03-1.60828888e-06 2.46974544e-10-1.38605959e-14 2 2.57595128e+04-3.99826155e+00 7.97411797e-01 2.34566540e-02-3.57945706e-05 3 2.83469683e-08-8.63888690e-12 2.64299762e+04 1.39852043e+01 4 C2H T 5/10C 2 H 1 0 0 G 200.0000 6000.0000 1000.00 1 3.66270248e+00 3.82492252e-03-1.36632500e-06 2.13455040e-10-1.23216848e-14 2 6.71640334e+04 3.91723695e+00 3.35010290e+00 9.48973862e-03-1.69619510e-05 3 1.56606571e-08-5.21611425e-12 6.70217250e+04 4.36147608e+00 4 CH3CHO L 8/88C 2 H 4 O 1 0 G 200.0000 6000.0000 1000.00 1 5.40411080e+00 1.17230590e-02-4.22631370e-06 6.83724510e-10-4.09848630e-14 2 -2.25800374e+04-3.46627652e+00 3.37027561e+00 8.27543722e-03 1.40800329e-05 3 -1.74507626e-08 5.26861261e-12-2.14528045e+04 9.59483739e+00 4 CH3CO IU2/03C 2 H 3 O 1 0 G 200.0000 6000.0000 1000.00 1 5.31371650e+00 9.17377930e-03-3.32203860e-06 5.39474560e-10-3.24523680e-14 2 -3.63413272e+03-1.66365337e+00 2.90265312e+00 1.04393243e-02 2.81705065e-06 3 -5.89108534e-09 1.40453669e-12-2.58196274e+03 1.24405655e+01 4 CH2CHO T03/10C 2 H 3 O 1 0 G 200.0000 6000.0000 1000.00 1 6.53928338e+00 7.80238629e-03-2.76413612e-06 4.42098906e-10-2.62954290e-14 2 -1.17815515e+03-8.70934123e+00 1.71139070e+00 1.92536057e-02-1.04974847e-05 3 8.66708617e-10 6.59116746e-13 2.58675834e+02 1.67431252e+01 4 CH2CO H 2C 2O 1 0G 300.0000 5000.0000 1000.00 1 5.35869367e+00 6.95641586e-03-2.64802637e-06 4.65067592e-10-3.08641820e-14 2 -7.90263640e+03-3.98396563e+00 1.49463072e+00 2.24913859e-02-2.93366138e-05 3 2.26935841e-08-7.24170038e-12-7.02482456e+03 1.49105628e+01 4 HCCO T 4/09H 1 C 2 O 1 0 G 200.0000 6000.0000 1000.00 1 5.91479333e+00 3.71408730e-03-1.30137010e-06 2.06473345e-10-1.21476759e-14 2 1.93581926e+04-5.50726758e+00 2.02541846e+00 2.08604290e-02-3.22111148e-05 3 2.61444373e-08-8.29733367e-12 2.01501911e+04 1.30934214e+01 4 HCCOH T12/09C 2 H 2 O 1 0 G 200.0000 6000.0000 1000.00 1 6.37509678e+00 5.49429011e-03-1.88136576e-06 2.93803536e-10-1.71771901e-14 2 8.93193471e+03-8.24591427e+00 2.14288614e+00 2.44622311e-02-3.59290701e-05 3 2.84142318e-08-8.82563144e-12 9.76099342e+03 1.18737098e+01 4 CH3CO3H 6/26/95 THERMC 2H 4O 3 0G 300.0000 5000.0000 1391.00 1 1.25060485e+01 9.47789695e-03-3.30402246e-06 5.19630793e-10-3.04233568e-14 2 -4.59808884e+04-3.79137074e+01 2.08590561e+00 3.49088769e-02-2.79686546e-05 3 1.20389605e-08-2.22996620e-12-4.24523627e+04 1.77162397e+01 4 CH3CO3 4/ 3/ 0 THERMC 2H 3O 3 0G 300.0000 5000.0000 1391.00 1 1.12522498e+01 8.33652672e-03-2.89014530e-06 4.52781734e-10-2.64354456e-14 2 -2.60187685e+04-2.96307714e+01 3.43764877e+00 2.81967508e-02-2.35863072e-05 3 1.10311810e-08-2.22669942e-12-2.34040429e+04 1.18953253e+01 4 CH3CO2 2/14/95 THERMC 2H 3O 2 0G 300.0000 5000.0000 1395.00 1 8.54059736e+00 8.32951214e-03-2.84722010e-06 4.41927196e-10-2.56373394e-14 2 -2.97258606e+04-2.03844055e+01 1.27068627e+00 2.56531222e-02-1.91479108e-05 3 7.81784491e-09-1.39833201e-12-2.72227196e+04 1.85739372e+01 4 C2H5OH L 8/88C 2 H 6 O 1 0 G 200.0000 6000.0000 1000.00 1 6.56243650e+00 1.52042220e-02-5.38967950e-06 8.62250110e-10-5.12897870e-14 2 -3.15048950e+04-9.45002669e+00 2.70565328e+00 1.44270887e-02 1.65604849e-05 3 -2.52795460e-08 8.77425839e-12-2.98059272e+04 1.35012840e+01 4 PC2H4OH T12/01C 2 H 5 O 1 0 G 200.0000 6000.0000 1000.00 1 7.02824536e+00 1.20037746e-02-4.21306455e-06 6.69471213e-10-3.96371893e-14 2 -5.91230924e+03-9.38955436e+00 3.16752981e+00 1.86633575e-02-4.09927469e-06 3 -4.09399500e-09 1.81117182e-12-4.59861034e+03 1.16879659e+01 4 SC2H4OH T10/04C 2 H 5 O 1 0 G 200.0000 6000.0000 1000.00 1 6.35842302e+00 1.24356276e-02-4.33096839e-06 6.84530381e-10-4.03713238e-14 2 -9.36619789e+03-6.03685361e+00 2.89247708e+00 1.63472179e-02 2.09334627e-06 3 -1.00350862e-08 3.80928619e-12-8.08751270e+03 1.33920962e+01 4 C2H5O IU2/03C 2 H 5 O 1 0 G 200.0000 6000.0000 1000.00 1 6.68899820e+00 1.31256760e-02-4.70388400e-06 7.58585520e-10-4.54133060e-14 2 -4.73284407e+03-9.68402063e+00 2.96328478e+00 1.77565210e-02-1.94493368e-06 3 -3.74899627e-09 7.98086641e-13-3.28400777e+03 1.13336281e+01 4 O2C2H4OH 2/14/95 THERMC 2H 5O 3 0G 300.0000 5000.0000 1392.00 1 1.07432659e+01 1.30957787e-02-4.45370088e-06 6.88548738e-10-3.98230113e-14 2 -2.55854346e+04-2.33184759e+01 3.93276568e+00 2.85523434e-02-1.91619800e-05 3 7.99041220e-09-1.61128710e-12-2.30673630e+04 1.36237229e+01 4 C2H5O2H 1/14/ 5 THERMC 2H 6O 2 0G 300.0000 5000.0000 1391.00 1 1.12305737e+01 1.20482120e-02-3.96730201e-06 6.00754632e-10-3.42657803e-14 2 -2.47934897e+04-3.25554722e+01 1.43452391e+00 3.62311292e-02-2.76235326e-05 3 1.16777600e-08-2.13997109e-12-2.15140720e+04 1.96269146e+01 4 C2H5O2 T10/10C 2 H 5 O 2 0 G 200.0000 6000.0000 1000.00 1 8.88872432e+00 1.35833179e-02-4.91116949e-06 7.92343362e-10-4.73525704e-14 2 -7.42188729e+03-1.90576979e+01 2.50785317e+00 2.36976660e-02-1.64465958e-06 3 -1.05602363e-08 4.30524018e-12-5.21940048e+03 1.59682404e+01 4 C2H4O2H 1/14/ 5 THERMC 2H 5O 2 0G 300.0000 5000.0000 1397.00 1 1.05228954e+01 9.48091381e-03-3.55727763e-06 6.41445994e-10-4.21232247e-14 2 1.56121233e+03-2.31364063e+01 3.33952127e+00 2.80452739e-02-2.29454469e-05 3 1.04002987e-08-2.01635916e-12 3.90975607e+03 1.48818508e+01 4 C2H4O1-2 L 8/88C 2 H 4 O 1 0 G 200.0000 6000.0000 1000.00 1 5.48876410e+00 1.20461900e-02-4.33369310e-06 7.00283110e-10-4.19490880e-14 2 -9.15762749e+03-7.05466866e+00 1.39083154e+00 1.05417166e-02 2.20184024e-05 3 -3.10987573e-08 1.10074018e-11-7.35160012e+03 1.74186147e+01 4 C2H3O1-2 A 1/05C 2 H 3 O 1 0 G 200.0000 6000.0000 1000.00 1 5.60158035e+00 9.17613962e-03-3.28028902e-06 5.27903888e-10-3.15362241e-14 2 1.71636425e+04-5.45118734e+00 1.60794469e+00 1.06467922e-02 1.46167027e-05 3 -2.37034946e-08 8.82585361e-12 1.87426596e+04 1.75795074e+01 4 CH3COCH3 ATCT AC 3 H 6 O 1 0 G 200.0000 6000.0000 1000.00 1 7.29796974e+00 1.75656913e-02-6.31678065e-06 1.02025553e-09-6.10903592e-14 2 -2.95164236e+04-1.27364619e+01 3.43001701e+00 1.51035827e-02 1.82338698e-05 3 -2.52229086e-08 7.96148465e-12-2.76446906e+04 1.09112700e+01 4 CH3COCH2 A10/04C 3 H 5 O 1 0 G 200.0000 6000.0000 1000.00 1 7.54410697e+00 1.43443222e-02-5.08381081e-06 8.13200521e-10-4.83673315e-14 2 -7.47112480e+03-1.14619541e+01 3.08151740e+00 1.91890053e-02 2.86725420e-06 3 -1.17726206e-08 4.20429524e-12-5.78530902e+03 1.36764150e+01 4 CH3COCH2O2 2/14/95 C 3H 5O 3 0G 300.0000 5000.0000 1379.00 1 1.27690342e+01 1.42554828e-02-4.92821461e-06 7.70448921e-10-4.49110534e-14 2 -2.34718157e+04-3.27056164e+01 5.68521923e+00 2.89652862e-02-1.82601677e-05 3 7.70540822e-09-1.71360510e-12-2.06412080e+04 6.34216963e+00 4 C2H3CHO 6/26/95 THERMC 3H 4O 1 0G 300.0000 5000.0000 1393.00 1 1.04184959e+01 9.48963321e-03-3.29310529e-06 5.16279203e-10-3.01587291e-14 2 -1.49565133e+04-3.07154864e+01 8.12320081e-02 3.69423095e-02-3.29929048e-05 3 1.60122133e-08-3.25950175e-12-1.16312089e+04 2.37699084e+01 4 C2H3CO 4/ 3/ 0 THERMC 3H 3O 1 0G 300.0000 5000.0000 1402.00 1 9.37467676e+00 7.91296900e-03-2.67198280e-06 4.11115430e-10-2.36978981e-14 2 1.93629186e+03-2.40811710e+01 1.15291591e+00 3.30223669e-02-3.34729851e-05 3 1.79604549e-08-3.85460891e-12 4.27852342e+03 1.81383716e+01 4 C2H5CHO T05/10C 3 H 6 O 1 0 G 200.0000 6000.0000 1000.00 1 7.44085690e+00 1.77301764e-02-6.34081568e-06 1.02040803e-09-6.09461714e-14 2 -2.59879020e+04-1.43999310e+01 2.40873016e+00 2.21798211e-02 4.12862796e-06 3 -1.31389063e-08 4.21140660e-12-2.39850541e+04 1.43280858e+01 4 C2H5CO A10/04C 3 H 5 O 1 0 G 200.0000 6000.0000 1000.00 1 6.52325448e+00 1.54211952e-02-5.50898157e-06 8.85889862e-10-5.28846399e-14 2 -7.17709457e+03-5.17729748e+00 4.26042852e+00 7.67273481e-03 2.69700190e-05 3 -3.17754263e-08 1.01407173e-11-5.73976329e+03 1.03014155e+01 4 CH2CH2CHO 8/10/ 4 THERMC 3H 5O 1 0G 300.0000 5000.0000 1363.00 1 9.96855598e+00 1.61917946e-02-6.64161740e-06 1.15444520e-09-7.21981790e-14 2 -4.14881836e+03-2.73775716e+01 7.81000380e+00 8.03921900e-05 2.66128852e-05 3 -1.82144094e-08 3.22621862e-12-7.00699056e+02-7.22584336e+00 4 CH3CHCHO 8/10/ 4 THERMC 3H 5O 1 0G 300.0000 5000.0000 1253.00 1 8.27772090e+00 1.95687188e-02-8.47575089e-06 1.53249728e-09-9.86441542e-14 2 -8.31634222e+03-2.17281596e+01-4.09826826e+00 4.82532133e-02-4.48983337e-05 3 3.00226870e-08-9.19765423e-12-3.37893475e+03 4.61285862e+01 4 CH3OCH3 1/20/11 C 2H 6O 1 0G 300.0000 5000.0000 1367.00 1 7.36358679e+00 1.38910153e-02-4.74083257e-06 7.34874498e-10-4.25867578e-14 2 -2.61111600e+04-1.61287495e+01 2.29216436e+00 1.96389838e-02-3.54374658e-06 3 -2.30317534e-09 7.41394069e-13-2.36646860e+04 1.34153350e+01 4 CH3OCH2 1/20/11 C 2H 5O 1 0G 300.0000 5000.0000 1389.00 1 6.73134670e+00 1.18022530e-02-4.00104434e-06 6.17227325e-10-3.56435023e-14 2 -3.34596566e+03-9.40367149e+00 2.08142068e+00 1.98290163e-02-8.64802227e-06 3 1.76775146e-09-2.01386467e-13-1.37854455e+03 1.67048532e+01 4 CH3OCH2O2 1/20/11 C 2H 5O 3 0G 300.0000 5000.0000 1399.00 1 1.22024149e+01 1.19225104e-02-4.06624713e-06 6.30079576e-10-3.65065312e-14 2 -2.40270720e+04-3.38596080e+01 1.54039710e+00 3.91054145e-02-3.19482861e-05 3 1.43997005e-08-2.77731593e-12-2.05129192e+04 2.26844674e+01 4 CH2OCH2O2H 1/20/11 C 2H 5O 3 0G 300.0000 5000.0000 1419.00 1 1.51031233e+01 9.18263324e-03-3.15895361e-06 4.92789411e-10-2.87001298e-14 2 -1.96583426e+04-4.85138001e+01 8.22170670e-01 4.54116788e-02-3.83464281e-05 3 1.61025976e-08-2.71143443e-12-1.50906429e+04 2.70024597e+01 4 CH3OCH2O2H 1/20/11 C 2H 6O 3 0G 300.0000 5000.0000 1402.00 1 1.46617126e+01 1.20544674e-02-4.13604704e-06 6.43721637e-10-3.74188832e-14 2 -4.18843257e+04-4.81228372e+01 5.70044489e-01 4.79348650e-02-4.00607350e-05 3 1.75830981e-08-3.21582315e-12-3.73093983e+04 2.64927066e+01 4 CH3OCH2O 2/ 9/96 THERMC 2H 5O 2 0G 300.0000 5000.0000 2012.00 1 8.60261845e+00 1.35772195e-02-4.84661602e-06 7.77766193e-10-4.62633624e-14 2 -2.13494015e+04-1.75510283e+01 3.00857334e+00 2.37786247e-02-1.06663404e-05 3 1.74999382e-09-2.98415184e-15-1.92107547e+04 1.34396772e+01 4 O2CH2OCH2O2H 1/20/11 C 2H 5O 5 0G 300.0000 5000.0000 1411.00 1 1.96207800e+01 9.96131702e-03-3.41480475e-06 5.31364852e-10-3.08902100e-14 2 -3.98593755e+04-6.72616557e+01-3.87647540e-01 6.83242414e-02-6.98715654e-05 3 3.52758245e-08-7.00286271e-12-3.41266486e+04 3.60197612e+01 4 HO2CH2OCHO 1/20/11 C 2H 4O 4 0G 300.0000 5000.0000 1428.00 1 1.78528337e+01 7.54042388e-03-2.74895624e-06 4.45343367e-10-2.66154007e-14 2 -6.41378530e+04-6.47355284e+01 5.10312606e-01 4.76444659e-02-3.64706218e-05 3 1.24969489e-08-1.53087030e-12-5.82725102e+04 2.82207010e+01 4 OCH2OCHO 1/20/11 C 2H 3O 3 0G 300.0000 5000.0000 1426.00 1 1.24378042e+01 7.82259106e-03-2.82874305e-06 4.55808935e-10-2.71391601e-14 2 -4.44566558e+04-3.85386100e+01 4.04726556e+00 1.77275755e-02 1.51697051e-06 3 -8.67783991e-09 2.85417475e-12-4.07189907e+04 9.70561242e+00 4 HOCH2OCO 8/31/99 THERMC 2H 3O 3 0G 300.0000 5000.0000 1603.00 1 1.13737391e+01 8.17663898e-03-2.92034021e-06 4.66695616e-10-2.76276823e-14 2 -4.65560224e+04-2.86017693e+01 6.05119464e+00 1.30844356e-02 1.60258242e-06 3 -5.73752510e-09 1.69720865e-12-4.39494767e+04 2.66972243e+00 4 CH3OCHO T 6/08C 2 H 4 O 2 0 G 200.0000 6000.0000 1000.00 1 6.33360880e+00 1.34851485e-02-4.84305805e-06 7.81719241e-10-4.67917447e-14 2 -4.68150636e+04-6.89702260e+00 4.24431752e+00 5.15986302e-03 2.83487792e-05 3 -3.22689338e-08 1.02266008e-11-4.54190905e+04 7.71319329e+00 4 CH3OCO T10/07C 2 H 3 O 2 0 G 200.0000 6000.0000 1000.00 1 7.00171955e+00 1.01977290e-02-3.65621800e-06 5.89475086e-10-3.52561321e-14 2 -2.26066574e+04-9.04499886e+00 4.03670531e+00 1.38754528e-02-1.46843246e-06 3 -2.95921047e-09 6.12934313e-13-2.14522336e+04 7.68582489e+00 4 CH2OCHO 4/15/ 8 THERMC 2H 3O 2 0G 300.0000 5000.0000 1442.00 1 1.00960096e+01 7.19887066e-03-2.59813465e-06 4.18110812e-10-2.48723387e-14 2 -2.36417639e+04-2.71178713e+01 2.39229493e+00 1.74687518e-02-1.40192575e-06 3 -5.78089152e-09 2.05539067e-12-2.02992919e+04 1.68116057e+01 4 HE G 5/97HE 1 0 0 0 G 200.0000 6000.0000 1000.00 1 2.50000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 0.00000000e+00 2 -7.45375000e+02 9.28723974e-01 2.50000000e+00-3.92886513e-17 6.67249954e-20 3 -4.29218987e-23 8.65108913e-27-7.45375000e+02 9.28723974e-01 4 C3H8 G 2/00C 3 H 8 0 0 G 200.0000 6000.0000 1000.00 1 6.66919760e+00 2.06108751e-02-7.36512349e-06 1.18434262e-09-7.06914630e-14 2 -1.62520345e+04-1.31684088e+01 1.78299792e+00 2.21956310e-02 1.08920067e-05 3 -2.05393867e-08 6.69735146e-12-1.41665991e+04 1.54201742e+01 4 NC3H7 A 5/05C 3 H 7 0 0 G 200.0000 6000.0000 1000.00 1 6.49636579e+00 1.77337992e-02-6.24898046e-06 9.95389495e-10-5.90199770e-14 2 8.87797782e+03-8.54366272e+00 2.18742284e+00 2.12197140e-02 4.71959240e-06 3 -1.41637289e-08 4.95455367e-12 1.05748373e+04 1.60509055e+01 4 IC3H7 A 5/05C 3 H 7 0 0 G 200.0000 6000.0000 1000.00 1 5.30597255e+00 1.89854588e-02-6.74315384e-06 1.07993730e-09-6.42785036e-14 2 7.80748914e+03-2.21015116e+00 3.39657250e+00 9.10565226e-03 2.93218402e-05 3 -3.37730310e-08 1.05129023e-11 9.23293368e+03 1.18001875e+01 4 C3H6 G 2/00C 3 H 6 0 0 G 200.0000 6000.0000 1000.00 1 6.03870234e+00 1.62963931e-02-5.82130800e-06 9.35936829e-10-5.58603143e-14 2 -7.24591249e+02-8.41926267e+00 2.05579241e+00 1.83006527e-02 6.73821315e-06 3 -1.42642446e-08 4.56345025e-12 9.45865064e+02 1.47215837e+01 4 C3H5-A PD5/98C 3H 5 0 0G 300.0000 3000.0000 1000.00 1 6.50078770e+00 1.43247310e-02-5.67816320e-06 1.10808010e-09-9.03638870e-14 2 1.74979707e+04-1.12196206e+01-5.52951503e-01 3.54744428e-02-3.15229669e-05 3 1.75635088e-08-4.79696150e-12 1.94192509e+04 2.49700802e+01 4 C3H5-T PD5/98C 3H 5 0 0G 300.0000 3000.0000 1000.00 1 5.42555280e+00 1.55110720e-02-5.66783500e-06 7.92243880e-10-1.68780340e-14 2 2.78475126e+04-3.34596789e+00 1.17958902e+00 2.69170099e-02-1.78609025e-05 3 7.94442030e-09-2.13596107e-12 2.90906357e+04 1.88204186e+01 4 C3H5-S PD5/98C 3H 5 0 0G 300.0000 3000.0000 1000.00 1 5.37252810e+00 1.57805090e-02-5.99228500e-06 9.30896640e-10-3.65509660e-14 2 2.96193409e+04-3.41174605e+00 3.48859385e-01 3.10490444e-02-2.47359322e-05 3 1.27072597e-08-3.31413351e-12 3.09680501e+04 2.22877575e+01 4 C3H4-A L 8/89C 3 H 4 0 0 G 200.0000 6000.0000 1000.00 1 6.31687220e+00 1.11337280e-02-3.96293780e-06 6.35642380e-10-3.78755400e-14 2 2.01301767e+04-1.09816966e+01 1.29565939e+00 2.32386026e-02-1.38861781e-05 3 4.25235047e-09-8.15005110e-13 2.16579479e+04 1.55490713e+01 4 C3H4-P T 2/90H 4 C 3 0 0 G 200.0000 6000.0000 1000.00 1 6.02524000e+00 1.13365420e-02-4.02233910e-06 6.43760630e-10-3.82996350e-14 2 1.96287422e+04-8.59572470e+00 1.87002231e+00 2.26374641e-02-1.74392076e-05 3 1.01956023e-08-3.31897711e-12 2.08739635e+04 1.31512366e+01 4 C3H3 T 7/11C 3 H 3 0 0 G 200.0000 6000.0000 1000.00 1 7.14221719e+00 7.61902211e-03-2.67460030e-06 4.24914904e-10-2.51475443e-14 2 3.95710118e+04-1.25848109e+01 1.34566101e+00 3.27870966e-02-4.75168302e-05 3 3.77913760e-08-1.19208970e-11 4.07684754e+04 1.52278715e+01 4 C3H2 T12/00C 3 H 2 0 0 G 200.0000 6000.0000 1000.00 1 6.67324762e+00 5.57728845e-03-1.99180164e-06 3.20289156e-10-1.91216272e-14 2 7.57618785e+04-9.72366329e+00 1.93969171e+00 2.14737165e-02-2.40005525e-05 3 1.55827302e-08-4.43568403e-12 7.69511729e+04 1.40991901e+01 4 C3H5O 7/20/95 THERMC 3H 5O 1 0G 300.0000 5000.0000 1380.00 1 1.02551752e+01 1.14983720e-02-3.84645659e-06 5.88910346e-10-3.38557923e-14 2 6.26845047e+03-2.77619833e+01 1.10269963e+00 3.12438025e-02-1.96612489e-05 3 6.33426315e-09-8.82477271e-13 9.59163432e+03 2.19554559e+01 4 C3H6OOH1-3 7/19/ 0 THERMC 3H 7O 2 0G 300.0000 5000.0000 1384.00 1 1.46881564e+01 1.49941200e-02-5.24056505e-06 8.25462711e-10-4.83758952e-14 2 -4.76437094e+03-4.77872605e+01 1.58312678e+00 4.61681912e-02-3.57929013e-05 3 1.59249801e-08-3.19555621e-12-1.39039560e+02 2.26576682e+01 4 C3H6OOH1-2 7/19/ 0 THERMC 3H 7O 2 0G 300.0000 5000.0000 1402.00 1 1.24605763e+01 1.58889526e-02-5.32742106e-06 8.15818791e-10-4.68723250e-14 2 -4.19823627e+03-3.23799893e+01 2.72531328e+00 3.85043384e-02-2.61162829e-05 3 1.00858291e-08-1.76933814e-12-7.67218153e+02 2.00313022e+01 4 C3H6OOH2-1 7/19/ 0 THERMC 3H 7O 2 0G 300.0000 5000.0000 1407.00 1 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.66678719e+03-4.35684996e+01 1.87239702e+00 4.84863579e-02-4.26310551e-05 3 2.05110729e-08-4.09144679e-12-1.87193985e+03 2.09357571e+01 4 C3H6OOH2-2 7/19/ 0 THERMC 3H 7O 2 0G 300.0000 5000.0000 1407.00 1 1.42163221e+01 1.43382450e-02-4.78004477e-06 7.29133134e-10-4.17761973e-14 2 -5.66678719e+03-4.35684996e+01 1.87239702e+00 4.84863579e-02-4.26310551e-05 3 2.05110729e-08-4.09144679e-12-1.87193985e+03 2.09357571e+01 4 C3H6OOH1-2O2 7/19/ 0 TRMC 3H 7O 4 0G 300.0000 5000.0000 1386.00 1 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64281135e+04-6.77351054e+01 2.21832524e+00 6.05719157e-02-5.44435756e-05 3 2.71957281e-08-5.76528943e-12-2.08399633e+04 2.19658703e+01 4 C3H6OOH1-3O2 7/19/ 0 TRMC 3H 7O 4 0G 300.0000 5000.0000 1382.00 1 1.85916698e+01 1.65328553e-02-5.81343626e-06 9.19396939e-10-5.40320702e-14 2 -2.39470016e+04-6.42385202e+01 2.71902881e+00 5.64368209e-02-4.80100520e-05 3 2.33604066e-08-4.96538784e-12-1.85048190e+04 2.04244489e+01 4 C3H6OOH2-1O2 7/19/ 0 TRMC 3H 7O 4 0G 300.0000 5000.0000 1386.00 1 1.91759159e+01 1.59857013e-02-5.61306378e-06 8.86880495e-10-5.20877040e-14 2 -2.64281135e+04-6.77351054e+01 2.21832524e+00 6.05719157e-02-5.44435756e-05 3 2.71957281e-08-5.76528943e-12-2.08399633e+04 2.19658703e+01 4 NC3H7O T07/10C 3 H 7 O 1 0 G 200.0000 6000.0000 1000.00 1 8.38041157e+00 1.95206120e-02-6.97374143e-06 1.12144919e-09-6.69467831e-14 2 -8.46393651e+03-1.89668648e+01 1.90115870e+00 2.69463138e-02 3.22278981e-06 3 -1.56317073e-08 5.54322948e-12-6.03012443e+03 1.74481024e+01 4 IC3H7O 8/ 9/ 4 THERMC 3H 7O 1 0G 300.0000 5000.0000 1393.00 1 1.23135031e+01 1.38062606e-02-4.91585531e-06 8.21075632e-10-5.07493001e-14 2 -1.24645923e+04-4.17182913e+01-1.04938975e+00 4.85340987e-02-4.12684934e-05 3 1.90985397e-08-3.73630045e-12-8.12859849e+03 2.89139727e+01 4 NC3H7O2H T02/10C 3 H 8 O 2 0 G 200.0000 6000.0000 1000.00 1 1.04115631e+01 2.13763889e-02-7.55819870e-06 1.20207180e-09-7.11798090e-14 2 -2.68632901e+04-2.35093146e+01 3.94688272e+00 2.16579506e-02 2.58944663e-05 3 -4.06892218e-08 1.45505675e-11-2.41418050e+04 1.44475489e+01 4 IC3H7O2H 7/19/ 0 THERMC 3H 8O 2 0G 300.0000 5000.0000 1389.00 1 1.57046391e+01 1.65924516e-02-5.77250934e-06 9.06453070e-10-5.30084111e-14 2 -3.23164247e+04-5.71606627e+01 1.78479010e-01 5.56513569e-02-4.61793207e-05 3 2.15277858e-08-4.35965734e-12-2.70710558e+04 2.55050398e+01 4 NC3H7O2 T04/10C 3 H 7 O 2 0 G 200.0000 6000.0000 1000.00 1 9.24489759e+00 2.14800809e-02-7.69335773e-06 1.23945160e-09-7.40911693e-14 2 -9.78457221e+03-2.20098489e+01 4.15817213e+00 1.64325240e-02 3.14277459e-05 3 -4.15131832e-08 1.36917223e-11-7.27944020e+03 9.42443569e+00 4 IC3H7O2 7/19/ 0 THERMC 3H 7O 2 0G 300.0000 5000.0000 1388.00 1 1.32493493e+01 1.64082190e-02-5.67432062e-06 8.87336340e-10-5.17361535e-14 2 -1.44004215e+04-4.28935870e+01 1.15238065e+00 4.67939583e-02-3.80140286e-05 3 1.82652901e-08-3.88945366e-12-1.02243932e+04 2.16831920e+01 4 C3H6O1-3 A11/04C 3 H 6 O 1 0 G 200.0000 6000.0000 1000.00 1 6.80716906e+00 1.88824545e-02-6.79082475e-06 1.09713919e-09-6.57154952e-14 2 -1.36207837e+04-1.35005187e+01 1.62300235e+00 1.11443939e-02 4.30974573e-05 3 -5.47285762e-08 1.87939452e-11-1.10125174e+04 1.89980125e+01 4 C3H6O1-2 A01/05C 3 H 6 O 1 0 G 200.0000 6000.0000 1000.00 1 8.01491079e+00 1.73919953e-02-6.26027968e-06 1.01188256e-09-6.06239111e-14 2 -1.51749293e+04-1.88023086e+01 1.02273424e+00 2.65478374e-02 2.11488880e-06 3 -1.52372745e-08 5.64969914e-12-1.26321719e+04 2.01433144e+01 4 C3KET12 7/19/ 0 THERMC 3H 6O 3 0G 300.0000 5000.0000 1388.00 1 1.70756225e+01 1.31013491e-02-4.61949408e-06 7.31991329e-10-4.30788679e-14 2 -4.16913279e+04-5.95661249e+01 7.91429864e-01 5.49863714e-02-4.83980685e-05 3 2.29493737e-08-4.60209237e-12-3.63316599e+04 2.67212190e+01 4 C3KET13 7/19/ 0 THERMC 3H 6O 3 0G 300.0000 5000.0000 1379.00 1 1.58927479e+01 1.40990923e-02-4.96118851e-06 7.84992198e-10-4.61488928e-14 2 -3.93675277e+04-5.25926101e+01 3.21803369e+00 4.42731462e-02-3.50523477e-05 3 1.61581350e-08-3.37189303e-12-3.48571705e+04 1.56042973e+01 4 C3KET21 7/19/ 0 THERMC 3H 6O 3 0G 300.0000 5000.0000 1371.00 1 1.56377776e+01 1.44059342e-02-5.08808082e-06 8.07076119e-10-4.75295650e-14 2 -4.30572640e+04-5.12999705e+01 4.26277744e+00 3.78244610e-02-2.44236688e-05 3 9.29276929e-09-1.81805744e-12-3.86420331e+04 1.12048658e+01 4 C3H51-2,3OOH 8/26/3 THRMC 3H 7O 4 0G 300.0000 5000.0000 1386.00 1 2.12378169e+01 1.39519596e-02-4.94539222e-06 7.86381389e-10-4.63925564e-14 2 -1.92746048e+04-7.69490248e+01 2.16526250e+00 6.41522176e-02-5.88320877e-05 3 2.88013242e-08-5.89391431e-12-1.30965977e+04 2.37371214e+01 4 C3H52-1,3OOH 8/26/3 THRMC 3H 7O 4 0G 300.0000 5000.0000 1379.00 1 2.02817964e+01 1.48155431e-02-5.25503386e-06 8.35963453e-10-4.93308915e-14 2 -1.79979897e+04-7.22557857e+01 3.76758475e+00 5.45045086e-02-4.43167893e-05 3 2.00653642e-08-4.02083440e-12-1.22407856e+04 1.63186187e+01 4 C3H6OH 1/ 7/98 THERMC 3H 7O 1 0G 300.0000 5000.0000 1674.00 1 9.31287816e+00 1.67579212e-02-5.75555480e-06 9.00584362e-10-5.26566836e-14 2 -1.20273633e+04-1.95125782e+01 1.38183083e+00 3.19053839e-02-1.39451113e-05 3 1.23152095e-09 4.53047066e-13-9.14794861e+03 2.39669374e+01 4 HOC3H6O2 1/ 7/98 THERMC 3H 7O 3 0G 300.0000 5000.0000 1397.00 1 1.42691004e+01 1.71837825e-02-5.83419536e-06 9.00994191e-10-5.20716210e-14 2 -3.14417381e+04-4.15191291e+01 2.79850220e+00 4.62472487e-02-3.63437606e-05 3 1.67324663e-08-3.39992051e-12-2.75624540e+04 1.95217695e+01 4 CH3CHCO 03/03/95 THERMC 3H 4O 1 0G 300.0000 5000.0000 1400.00 1 1.00219123e+01 9.56966300e-03-3.26221644e-06 5.05231706e-10-2.92593257e-14 2 -1.42423272e+04-2.77756983e+01 1.29452355e+00 3.35715948e-02-3.01467627e-05 3 1.48962166e-08-3.06717783e-12-1.15088488e+04 1.79463050e+01 4 AC3H5OOH 7/20/98 THERMC 3H 6O 2 0G 300.0000 5000.0000 1394.00 1 1.36837693e+01 1.33968049e-02-4.61533631e-06 7.19988958e-10-4.19109988e-14 2 -1.33096738e+04-4.31819818e+01 2.21732570e+00 4.17948347e-02-3.32101250e-05 3 1.48358547e-08-2.89984838e-12-9.41476506e+03 1.79826466e+01 4 C2H3OOH 4/18/ 8 THERMC 2H 4O 2 0G 300.0000 5000.0000 1397.00 1 1.15749951e+01 8.09909174e-03-2.81808668e-06 4.42697954e-10-2.58998042e-14 2 -8.84407525e+03-3.43804380e+01 1.21342124e+00 3.47221975e-02-2.99629460e-05 3 1.35813394e-08-2.56632527e-12-5.48576516e+03 2.04331218e+01 4 C4H10 8/ 4/ 4 THERMC 4H 10 0 0G 300.0000 5000.0000 1392.00 1 1.24940183e+01 2.17726258e-02-7.44272215e-06 1.15487023e-09-6.69712949e-14 2 -2.18329289e+04-4.45467522e+01-6.97350270e-01 4.97610492e-02-3.05575554e-05 3 1.05954425e-08-1.78305690e-12-1.68721226e+04 2.74964182e+01 4 PC4H9 8/ 4/ 4 THERMC 4H 9 0 0G 300.0000 5000.0000 1391.00 1 1.20779744e+01 1.96264778e-02-6.71302199e-06 1.04206424e-09-6.04469282e-14 2 3.23232499e+03-3.87635378e+01 9.87326008e-02 4.50542573e-02-2.77430645e-05 3 9.65763037e-09-1.63326818e-12 7.73692993e+03 2.66575313e+01 4 SC4H9 8/ 4/ 4 THERMC 4H 9 0 0G 300.0000 5000.0000 1381.00 1 1.16934304e+01 1.96402287e-02-6.65306517e-06 1.02631895e-09-5.92826294e-14 2 1.96749403e+03-3.61581275e+01 7.26526016e-01 3.90886622e-02-1.70126102e-05 3 2.09223500e-09 2.31743821e-13 6.40047224e+03 2.49587064e+01 4 C4H8-1 T05/09C 4 H 8 0 0 G 200.0000 6000.0000 1000.00 1 7.86795262e+00 2.24448843e-02-8.07705438e-06 1.30179988e-09-7.77958472e-14 2 -4.22043490e+03-1.65461763e+01 3.25215514e+00 2.12028670e-02 1.40160498e-05 3 -2.06951668e-08 5.68388138e-12-2.00109063e+03 1.14259912e+01 4 C4H8-2 T 5/09C 4 H 8 0 0 G 200.0000 6000.0000 1000.00 1 7.89114667e+00 2.24970532e-02-8.12143779e-06 1.31273568e-09-7.84451632e-14 2 -5.49628326e+03-1.76212498e+01 3.47973299e+00 2.14265138e-02 1.37042713e-05 3 -2.14814097e-08 6.37194415e-12-3.41637778e+03 8.99485224e+00 4 C4H71-1 T05/04C 4 H 7 0 0 G 200.0000 6000.0000 1000.00 1 8.15646382e+00 1.90308835e-02-6.73262214e-06 1.07333098e-09-6.36886441e-14 2 2.56010210e+04-1.61224981e+01 2.28940024e+00 2.80712193e-02-4.60585139e-06 3 -6.83296361e-09 2.54256297e-12 2.76943165e+04 1.62858888e+01 4 C4H71-2 T05/04C 4 H 7 0 0 G 200.0000 6000.0000 1000.00 1 8.16688868e+00 1.95680375e-02-6.95694878e-06 1.11504166e-09-6.64079384e-14 2 2.37712869e+04-1.76846134e+01 1.94453074e+00 3.00699471e-02-7.95986281e-06 3 -3.49542722e-09 1.26742335e-12 2.59628457e+04 1.65008251e+01 4 C4H71-3 T05/04C 4 H 7 0 0 G 200.0000 6000.0000 1000.00 1 8.08107449e+00 1.95526544e-02-6.93149115e-06 1.10889183e-09-6.59584410e-14 2 1.23050956e+04-1.66884964e+01 2.17900357e+00 2.46226951e-02 7.83674813e-06 3 -2.00294251e-08 7.13614946e-12 1.45935574e+04 1.68729835e+01 4 C4H71-4 T05/04C 4 H 7 0 0 G 200.0000 6000.0000 1000.00 1 8.49073768e+00 1.91056974e-02-6.74370664e-06 1.07343267e-09-6.36251837e-14 2 2.04879227e+04-1.74311819e+01 2.78884794e+00 2.45544170e-02 6.10850583e-06 3 -1.81695922e-08 6.58035733e-12 2.26633416e+04 1.48345972e+01 4 C4H72-2 T05/04C 4 H 7 0 0 G 200.0000 6000.0000 1000.00 1 7.26612168e+00 1.99858497e-02-7.12030976e-06 1.14276142e-09-6.81206632e-14 2 2.32111693e+04-1.09724039e+01 5.57636175e+00 8.12333457e-03 3.26970142e-05 3 -3.61453013e-08 1.09548932e-11 2.46771584e+04 2.32749812e+00 4 C4H6 H6W/94C 4H 6 0 0G 300.0000 3000.0000 1000.00 1 8.86731340e+00 1.49186700e-02-3.15487160e-06-4.18413300e-10 1.57612580e-13 2 9.14349007e+03-2.33136194e+01-1.07719324e+00 4.40952487e-02-3.84466481e-05 3 2.24134301e-08-6.61452642e-12 1.19100998e+04 2.79323287e+01 4 PC4H9O2H 7/19/ 0 THERMC 4H 10O 2 0G 300.0000 5000.0000 1387.00 1 1.82687454e+01 2.16940079e-02-7.54629828e-06 1.18484806e-09-6.92818498e-14 2 -3.39317226e+04-6.84662606e+01 2.23866299e-01 6.49441753e-02-5.02864887e-05 3 2.24196284e-08-4.49549790e-12-2.75938651e+04 2.84182905e+01 4 SC4H9O2H 7/19/ 0 THERMC 4H 10O 2 0G 300.0000 5000.0000 1390.00 1 1.88587916e+01 2.11200987e-02-7.33205568e-06 1.14969842e-09-6.71656991e-14 2 -3.64112209e+04-7.19873725e+01-6.45574550e-02 6.81083361e-02-5.52140610e-05 3 2.52700563e-08-5.06462558e-12-2.99606164e+04 2.89759782e+01 4 PC4H9O2 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1385.00 1 1.57845448e+01 2.15210910e-02-7.44909017e-06 1.16558071e-09-6.79885609e-14 2 -1.60025297e+04-5.40239360e+01 1.54395586e+00 5.44166260e-02-3.94907651e-05 3 1.74289958e-08-3.61846209e-12-1.07962075e+04 2.30194895e+01 4 SC4H9O2 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1389.00 1 1.64031135e+01 2.09361006e-02-7.23393011e-06 1.13058996e-09-6.58938667e-14 2 -1.84949097e+04-5.77176821e+01 9.14918316e-01 5.92288818e-02-4.70206497e-05 3 2.19936798e-08-4.59231185e-12-1.31148572e+04 2.51278165e+01 4 PC4H9O 8/ 9/ 4 THERMC 4H 9O 1 0G 300.0000 5000.0000 1403.00 1 1.49315588e+01 1.95927054e-02-6.66958265e-06 1.03222635e-09-5.97583630e-14 2 -1.46127594e+04-5.25498896e+01-6.62477404e-01 5.48750190e-02-3.71175447e-05 3 1.32497890e-08-2.05065069e-12-9.10028790e+03 3.15976760e+01 4 SC4H9O 8/ 9/ 4 THERMC 4H 9O 1 0G 300.0000 5000.0000 1679.00 1 1.43323395e+01 2.04542365e-02-7.12271896e-06 1.12545447e-09-6.62697853e-14 2 -1.60123391e+04-5.02159227e+01-2.12863060e-01 5.25499405e-02-3.12084703e-05 3 7.95220933e-09-5.39021492e-13-1.11313028e+04 2.80252591e+01 4 C4H7O 4/ 3/ 0 THERMC 4H 7O 1 0G 300.0000 5000.0000 1395.00 1 1.53137780e+01 1.43427017e-02-4.81625517e-06 7.39574839e-10-4.26140814e-14 2 -7.24106613e+02-5.52873464e+01-1.77491669e+00 5.70624774e-02-4.63520809e-05 3 1.96116180e-08-3.45101641e-12 4.86765172e+03 3.54162697e+01 4 C4H8O1-2 4/ 3/ 0 THERMC 4H 8O 1 0G 300.0000 5000.0000 1399.00 1 1.39197290e+01 1.85551492e-02-6.36014179e-06 9.88844645e-10-5.74274779e-14 2 -2.09369531e+04-5.06686350e+01-2.68479042e+00 5.98193330e-02-4.73880196e-05 3 2.06489846e-08-3.88347001e-12-1.53688173e+04 3.77478009e+01 4 C4H8O1-3 1/22/95 THERMC 4H 8O 1 0G 300.0000 5000.0000 1371.00 1 1.54227092e+01 1.70211052e-02-6.06347951e-06 9.67354762e-10-5.71992419e-14 2 -2.20095711e+04-6.13749400e+01-2.87600350e+00 5.68403301e-02-4.00493534e-05 3 1.53953869e-08-2.77243529e-12-1.52645544e+04 3.81551815e+01 4 C4H8O1-4 1/22/95 THERMC 4H 8O 1 0G 300.0000 5000.0000 1361.00 1 1.42360731e+01 1.81176105e-02-6.46263809e-06 1.03194372e-09-6.10557331e-14 2 -2.99392257e+04-5.51973152e+01-3.59032116e+00 5.26834885e-02-3.03772267e-05 3 8.47661665e-09-1.13603606e-12-2.29766277e+04 4.32081482e+01 4 C4H8O2-3 1/22/95 THERMC 4H 8O 1 0G 300.0000 5000.0000 1384.00 1 1.58263859e+01 1.64400938e-02-5.80680311e-06 9.21146000e-10-5.42511002e-14 2 -2.35196818e+04-6.34674312e+01-3.44429311e+00 6.65470750e-02-5.97136217e-05 3 2.94202263e-08-6.15188664e-12-1.71504178e+04 3.86016652e+01 4 PC4H8OH 2/12/ 9 THERMC 4H 9O 1 0G 300.0000 5000.0000 1503.00 1 1.40357398e+01 1.94173155e-02-6.50230141e-06 9.95481694e-10-5.72034525e-14 2 -1.67634841e+04-4.41165959e+01 1.20758010e+00 4.39927600e-02-2.11678132e-05 3 2.98677098e-09 3.85620407e-13-1.18626831e+04 2.65334477e+01 4 SC4H8OH 2/12/ 9 THERMC 4H 9O 1 0G 300.0000 5000.0000 1392.00 1 1.48421985e+01 1.78435665e-02-6.16709050e-06 1.00443458e-09-6.10697983e-14 2 -1.81625033e+04-4.96866541e+01-1.33682936e+00 5.93257355e-02-4.91405380e-05 3 2.25164357e-08-4.40749292e-12-1.28429151e+04 3.60548405e+01 4 C4H8OH-1O2 6/26/95 THERMC 4H 9O 3 0G 300.0000 5000.0000 1396.00 1 1.74383247e+01 2.16778876e-02-7.37772628e-06 1.14128811e-09-6.60391451e-14 2 -3.55788959e+04-5.71119654e+01 2.55135820e+00 5.87132173e-02-4.53584546e-05 3 2.04310871e-08-4.08820274e-12-3.04915505e+04 2.23234088e+01 4 C4H8OH-2O2 6/26/95 THERMC 4H 9O 3 0G 300.0000 5000.0000 1399.00 1 1.82942871e+01 2.09395389e-02-7.12096934e-06 1.10103094e-09-6.36889768e-14 2 -3.80396330e+04-6.29019829e+01 1.75049420e+00 6.42489613e-02-5.34929272e-05 3 2.51773713e-08-5.07874608e-12-3.26351540e+04 2.45509790e+01 4 C4H8OOH1-1 3/27/97 THERMC 4H 9O 2 0G 300.0000 5000.0000 1379.00 1 1.80477436e+01 1.92137176e-02-6.66503008e-06 1.04468117e-09-6.10170737e-14 2 -1.23011585e+04-6.33509168e+01 4.16579523e+00 4.60162157e-02-2.47443256e-05 3 6.15706213e-09-6.43081871e-13-6.88019467e+03 1.32901707e+01 4 C4H8OOH1-2 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1393.00 1 1.58327906e+01 2.07220436e-02-7.09869028e-06 1.10302045e-09-6.40251984e-14 2 -8.51957396e+03-5.04267232e+01 1.16775743e+00 5.69564826e-02-4.42409070e-05 3 2.01117894e-08-4.07920588e-12-3.46263137e+03 2.79507632e+01 4 C4H8OOH1-3 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1377.00 1 1.76442170e+01 1.91706536e-02-6.57168641e-06 1.02246571e-09-5.94304735e-14 2 -1.01787320e+04-6.17026531e+01 1.69706130e+00 5.36322298e-02-3.51324843e-05 3 1.24120144e-08-2.03123622e-12-4.31901855e+03 2.50416165e+01 4 C4H8OOH1-4 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1386.00 1 1.78623700e+01 1.95212501e-02-6.80351173e-06 1.06960529e-09-6.26000540e-14 2 -8.86757747e+03-6.34249462e+01 1.06538660e+00 5.99996657e-02-4.70526935e-05 3 2.11694013e-08-4.26377931e-12-2.99092175e+03 2.66808353e+01 4 C4H8OOH2-1 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1390.00 1 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13519703e+04-6.69694266e+01 6.32347368e-01 6.38108573e-02-5.29711709e-05 3 2.46622333e-08-4.98266551e-12-5.33575688e+03 2.79132733e+01 4 C4H8OOH2-2 3/27/97 THERMC 4H 9O 2 0G 300.0000 5000.0000 1383.00 1 1.63837700e+01 2.04422768e-02-7.04524557e-06 1.09927552e-09-6.39967086e-14 2 -1.45538442e+04-5.33051328e+01 4.14499685e+00 4.49005577e-02-2.57187715e-05 3 8.24831176e-09-1.37095853e-12-9.76873553e+03 1.41300027e+01 4 C4H8OOH2-3 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1387.00 1 1.79338472e+01 1.92153623e-02-6.64486961e-06 1.03940007e-09-6.06239862e-14 2 -1.25677892e+04-6.36082876e+01 1.15710040e+00 5.84421503e-02-4.33650452e-05 3 1.79667102e-08-3.34531367e-12-6.65969719e+03 2.66663195e+01 4 C4H8OOH2-4 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1390.00 1 1.84555673e+01 1.89543719e-02-6.59381457e-06 1.03538370e-09-6.05467101e-14 2 -1.13519703e+04-6.69694266e+01 6.32347368e-01 6.38108573e-02-5.29711709e-05 3 2.46622333e-08-4.98266551e-12-5.33575688e+03 2.79132733e+01 4 C4H8OOH1-2O2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1387.00 1 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05311497e+04-8.32472414e+01 1.70658651e+00 7.42069759e-02-6.53117666e-05 3 3.21713025e-08-6.77118586e-12-2.36878630e+04 2.59982501e+01 4 C4H8OOH1-3O2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1387.00 1 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05311497e+04-8.32472414e+01 1.70658651e+00 7.42069759e-02-6.53117666e-05 3 3.21713025e-08-6.77118586e-12-2.36878630e+04 2.59982501e+01 4 C4H8OOH1-4O2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1383.00 1 2.17116470e+01 2.11216172e-02-7.40101448e-06 1.16772959e-09-6.85139846e-14 2 -2.80333299e+04-7.95700068e+01 2.62539159e+00 6.82455897e-02-5.61505756e-05 3 2.66145443e-08-5.57822373e-12-2.14170900e+04 2.25123427e+01 4 C4H8OOH2-1O2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1387.00 1 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05311497e+04-8.32472414e+01 1.70658651e+00 7.42069759e-02-6.53117666e-05 3 3.21713025e-08-6.77118586e-12-2.36878630e+04 2.59982501e+01 4 C4H8OOH2-3O2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1389.00 1 2.29951044e+01 1.99238919e-02-6.96326765e-06 1.09677832e-09-6.42747281e-14 2 -3.29931385e+04-8.71259623e+01 1.65471773e+00 7.75273481e-02-7.13819347e-05 3 3.61350563e-08-7.66258797e-12-2.61240314e+04 2.52031820e+01 4 C4H8OOH2-4O2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1387.00 1 2.23244015e+01 2.05474775e-02-7.19076348e-06 1.13361536e-09-6.64744383e-14 2 -3.05311497e+04-8.32472414e+01 1.70658651e+00 7.42069759e-02-6.53117666e-05 3 3.21713025e-08-6.77118586e-12-2.36878630e+04 2.59982501e+01 4 NC4KET12 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1388.00 1 2.02458485e+01 1.76440360e-02-6.19054598e-06 9.77688024e-10-5.74053258e-14 2 -4.58021530e+04-7.51997551e+01 4.12388505e-01 6.80524021e-02-5.83733804e-05 3 2.73416823e-08-5.47270732e-12-3.92006330e+04 3.01323938e+01 4 NC4KET13 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1386.00 1 1.96430808e+01 1.80940566e-02-6.33063232e-06 9.97860399e-10-5.85076458e-14 2 -4.59462737e+04-7.16749284e+01 2.33179701e+00 6.16826963e-02-5.19079963e-05 3 2.47016834e-08-5.11512968e-12-4.00652587e+04 2.05489508e+01 4 NC4KET14 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1382.00 1 1.90283822e+01 1.86604765e-02-6.53616227e-06 1.03102482e-09-6.04833256e-14 2 -4.34559364e+04-6.80062516e+01 3.00836626e+00 5.66059770e-02-4.39378225e-05 3 1.98324623e-08-4.06645242e-12-3.77523511e+04 1.82265920e+01 4 NC4KET21 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1376.00 1 1.86231473e+01 1.90969401e-02-6.70745998e-06 1.05994690e-09-6.22564248e-14 2 -4.71797991e+04-6.55314358e+01 4.25126664e+00 5.15955860e-02-3.80494189e-05 3 1.71876764e-08-3.69459776e-12-4.18223730e+04 1.25357368e+01 4 NC4KET23 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1387.00 1 1.99512969e+01 1.79558596e-02-6.31230878e-06 9.98217386e-10-5.86636973e-14 2 -4.95466394e+04-7.42924188e+01 5.73154713e-02 6.77041421e-02-5.69917289e-05 3 2.63196345e-08-5.24004455e-12-4.28389568e+04 3.16578844e+01 4 NC4KET24 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1380.00 1 1.87707201e+01 1.89490823e-02-6.65182145e-06 1.05080860e-09-6.17069393e-14 2 -4.72196958e+04-6.73182965e+01 2.51748115e+00 5.68917191e-02-4.35191945e-05 3 1.94486645e-08-3.99037761e-12-4.13710372e+04 2.03793774e+01 4 C2H5COCH3 T09/10C 4 H 8 O 1 0 G 200.0000 6000.0000 1000.00 1 9.29655016e+00 2.29172746e-02-8.22048591e-06 1.32404838e-09-7.91751980e-14 2 -3.34279961e+04-2.04813150e+01 4.93326334e+00 2.27492341e-02 9.52031945e-06 3 -1.62002935e-08 4.23568864e-12-3.13761781e+04 5.71957170e+00 4 C2H5COCH2 4/ 3/ 0 THERMC 4H 7O 1 0G 300.0000 5000.0000 1383.00 1 1.42098738e+01 1.57866459e-02-5.50529183e-06 8.65870540e-10-5.06913329e-14 2 -1.41192746e+04-4.87018951e+01 1.23360074e+00 4.61473849e-02-3.48170020e-05 3 1.52564851e-08-3.06164234e-12-9.47760205e+03 2.12507175e+01 4 CH2CH2COCH3 6/21/95 THERC 4H 7O 1 0G 300.0000 5000.0000 1380.00 1 1.24694368e+01 1.71022143e-02-5.92156726e-06 9.26816806e-10-5.40730504e-14 2 -1.01293414e+04-3.62081419e+01 2.11847420e+00 3.87687986e-02-2.44835658e-05 3 9.45136686e-09-1.87460230e-12-6.12194520e+03 2.05854334e+01 4 CH3CHCOCH3 4/ 3/ 0 THERMC 4H 7O 1 0G 300.0000 5000.0000 1384.00 1 1.31388032e+01 1.66091073e-02-5.76924215e-06 9.04978165e-10-5.28826527e-14 2 -1.51079453e+04-4.38774455e+01 5.38748689e-01 4.48919186e-02-3.14967657e-05 3 1.27985918e-08-2.44954358e-12-1.04975843e+04 2.44403106e+01 4 C2H3COCH3 6/19/95 THERMC 4H 6O 1 0G 300.0000 5000.0000 1386.00 1 1.25571995e+01 1.49672645e-02-5.20015351e-06 8.15864365e-10-4.76824406e-14 2 -2.14543638e+04-4.01336419e+01-1.57802885e-02 4.45162858e-02-3.34657380e-05 3 1.43457167e-08-2.78657378e-12-1.70046355e+04 2.75346511e+01 4 CH3CHOOCOCH3 6/27/95 C 4H 7O 3 0G 300.0000 5000.0000 1393.00 1 1.72170832e+01 1.76740453e-02-6.10387321e-06 9.53711693e-10-5.55757409e-14 2 -3.05160623e+04-5.67812135e+01 1.20511951e+00 6.02551371e-02-5.29543958e-05 3 2.60822463e-08-5.45110613e-12-2.53059256e+04 2.77107120e+01 4 CH2CHOOHCOCH3 6/27/95 C 4H 7O 3 0G 300.0000 5000.0000 1394.00 1 1.93158016e+01 1.56592602e-02-5.45395604e-06 8.57160086e-10-5.01582885e-14 2 -2.47648345e+04-6.70168766e+01 1.21616153e+00 6.32220924e-02-5.60338623e-05 3 2.67233553e-08-5.34188490e-12-1.89230187e+04 2.85046046e+01 4 NC3H7CHO T05/09 C 4H 8O 1 0G 200.0000 6000.0000 1000.00 1 1.02351219e+01 2.32201057e-02-8.46144199e-06 1.37589764e-09-8.27046434e-14 2 -3.00078958e+04-2.82287065e+01 2.52863618e+00 2.83925085e-02 1.29909714e-05 3 -2.62201945e-08 8.59505710e-12-2.68749452e+04 1.61364584e+01 4 NC3H7CO 9/27/95 THERMC 4H 7O 1 0G 300.0000 5000.0000 1380.00 1 1.30026331e+01 1.63104877e-02-5.57642899e-06 8.65670629e-10-5.02255667e-14 2 -1.25456115e+04-4.02525150e+01 2.44620886e+00 3.87450471e-02-2.44737119e-05 3 8.97906782e-09-1.63232829e-12-8.55810114e+03 1.74299690e+01 4 C3H6CHO-1 9/27/95 THERMC 4H 7O 1 0G 300.0000 5000.0000 1379.00 1 1.30322954e+01 1.62418373e-02-5.54388124e-06 8.59723685e-10-4.98459726e-14 2 -6.45225521e+03-3.92313541e+01 2.44477335e+00 3.89720230e-02-2.50109112e-05 3 9.38406410e-09-1.73447386e-12-2.47418350e+03 1.85434728e+01 4 C3H6CHO-2 11/15/95 THERMC 4H 7O 1 0G 300.0000 5000.0000 1682.00 1 1.11942816e+01 1.81806772e-02-6.35916662e-06 1.00727333e-09-5.93943618e-14 2 -6.88144508e+03-2.80443832e+01 3.17089521e+00 3.19553731e-02-1.15073458e-05 3 -7.33557784e-10 9.03016421e-13-3.81319008e+03 1.65001439e+01 4 C3H6CHO-3 11/15/95 THERMC 4H 7O 1 0G 300.0000 5000.0000 1387.00 1 1.34301738e+01 1.62250792e-02-5.60631713e-06 8.76356273e-10-5.10864241e-14 2 -1.13487883e+04-4.47280809e+01 1.10991633e+00 4.41038050e-02-3.09373815e-05 3 1.23968966e-08-2.30900539e-12-6.88770238e+03 2.19479435e+01 4 C2H5CHCO 9/27/95 THERMC 4H 6O 1 0G 300.0000 5000.0000 1400.00 1 1.34100537e+01 1.38766678e-02-4.74130143e-06 7.35504188e-10-4.26457752e-14 2 -1.83707626e+04-4.45193307e+01 1.24424289e-02 5.01824311e-02-4.45937888e-05 3 2.16276287e-08-4.37614529e-12-1.41454894e+04 2.58159455e+01 4 SC3H5CHO 11/15/95 THERC 4H 6O 1 0G 300.0000 5000.0000 1390.00 1 1.31695904e+01 1.42484434e-02-4.90843998e-06 7.65789041e-10-4.45834896e-14 2 -2.03954434e+04-4.43576903e+01 1.80943055e-01 4.66963356e-02-3.78908700e-05 3 1.71856851e-08-3.38937853e-12-1.60141893e+04 2.48243672e+01 4 SC3H5CO 11/15/95 THERMC 4H 5O 1 0G 300.0000 5000.0000 1392.00 1 1.25514754e+01 1.22521948e-02-4.22382101e-06 6.59184896e-10-3.83818826e-14 2 -4.24529749e+03-4.02763218e+01 1.47595259e+00 4.16258279e-02-3.64170291e-05 3 1.78609325e-08-3.72191908e-12-6.38041170e+02 1.81873465e+01 4 IC4H10 G 8/00C 4 H 10 0 0 G 200.0000 6000.0000 1000.00 1 9.76991697e+00 2.54997141e-02-9.14142587e-06 1.47328201e-09-8.80799697e-14 2 -2.13746460e+04-2.99989964e+01 1.27385607e+00 3.51011551e-02 4.69325498e-06 3 -2.10161591e-08 7.46130021e-12-1.81783817e+04 1.77800670e+01 4 IC4H9 T 6/04C 4 H 9 0 0 G 200.0000 6000.0000 1000.00 1 9.61250942e+00 2.28581786e-02-8.06391309e-06 1.28556553e-09-7.62730799e-14 2 4.17262666e+03-2.66258330e+01 1.22136414e+00 4.11041352e-02-1.94392557e-05 3 2.86296200e-09-1.33138267e-13 6.84959841e+03 1.82682772e+01 4 TC4H9 T 6/04C 4 H 9 0 0 G 200.0000 6000.0000 1000.00 1 6.72557390e+00 2.53649194e-02-9.05306262e-06 1.45474620e-09-8.67934112e-14 2 2.60094867e+03-8.86964764e+00 3.69150729e+00 1.31512738e-02 3.81889973e-05 3 -4.42521703e-08 1.36257754e-11 4.67870015e+03 1.24890543e+01 4 IC4H8 T05/09C 4 H 8 0 0 G 200.0000 6000.0000 1000.00 1 8.94232121e+00 2.12900129e-02-7.61851464e-06 1.22641473e-09-7.32634442e-14 2 -6.64802279e+03-2.46498834e+01 7.18787623e-01 3.51695106e-02-7.11195447e-06 3 -8.53106431e-09 3.52169133e-12-3.81271263e+03 2.03772507e+01 4 IC4H7 T05/04C 4 H 7 0 0 G 200.0000 6000.0000 1000.00 1 8.34970451e+00 1.92508033e-02-6.81360221e-06 1.08484853e-09-6.42422082e-14 2 1.24591393e+04-1.86855676e+01 4.68232053e-01 3.68722639e-02-1.83082284e-05 3 2.73560901e-09 3.96353764e-14 1.49279578e+04 2.33073450e+01 4 IC4H9O2 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1387.00 1 1.59741221e+01 2.13534740e-02-7.39001105e-06 1.15624411e-09-6.74408046e-14 2 -1.72207631e+04-5.65152121e+01 8.12784830e-01 5.74161454e-02-4.33851912e-05 3 1.95507248e-08-4.03745461e-12-1.18084432e+04 2.50924813e+01 4 TC4H9O2 T04/08C 4 H 9 O 2 0 G 200.0000 6000.0000 1000.00 1 1.34566146e+01 2.40864396e-02-8.56308159e-06 1.36853372e-09-8.12706683e-14 2 -1.89443037e+04-4.18517898e+01 1.88478020e+00 5.06054599e-02-2.64345757e-05 3 3.84179856e-09 3.69772660e-13-1.53833396e+04 1.95631546e+01 4 TC4H8O2H-I 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1405.00 1 1.78060253e+01 1.84952716e-02-6.21268423e-06 9.52753962e-10-5.48010330e-14 2 -1.17471791e+04-6.40077244e+01 1.31014657e+00 6.23510371e-02-5.28476137e-05 3 2.44783989e-08-4.75393128e-12-6.51560274e+03 2.27912550e+01 4 IC4H8O2H-I 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1388.00 1 1.80246456e+01 1.93668264e-02-6.74676496e-06 1.06040129e-09-6.20506445e-14 2 -1.00747500e+04-6.57491991e+01 6.27315984e-01 6.15536247e-02-4.86339060e-05 3 2.17475515e-08-4.31331071e-12-4.04386177e+03 2.74299568e+01 4 IC4H8O2H-T 7/19/ 0 THERMC 4H 9O 2 0G 300.0000 5000.0000 1397.00 1 1.52395012e+01 2.06496983e-02-6.94791927e-06 1.06651097e-09-6.13782754e-14 2 -1.02207773e+04-4.70830693e+01 3.57334926e+00 4.65391758e-02-2.95967868e-05 3 1.08102377e-08-1.86379101e-12-5.96280190e+03 1.61985863e+01 4 IC4H8O 7/19/95 THERMC 4H 8O 1 0G 300.0000 5000.0000 1399.00 1 1.44624830e+01 1.80562860e-02-6.18008791e-06 9.59941341e-10-5.57132297e-14 2 -2.30132237e+04-5.61069235e+01-3.28863688e+00 6.47107701e-02-5.56330464e-05 3 2.60772715e-08-5.14716390e-12-1.72961527e+04 3.75496938e+01 4 CC4H8O 6/29/95 THERMC 4H 8O 1 0G 300.0000 5000.0000 1401.00 1 1.35131704e+01 1.91666441e-02-6.53902359e-06 1.01366570e-09-5.87546671e-14 2 -2.00231078e+04-5.22048248e+01-5.53343193e+00 6.70736469e-02-5.42364702e-05 3 2.35871501e-08-4.34807447e-12-1.37452390e+04 4.89190385e+01 4 TC4H9O T08/04C 4 H 9 O 1 0 G 200.0000 6000.0000 1000.00 1 1.27371509e+01 2.33707342e-02-8.50516678e-06 1.38519973e-09-8.34398061e-14 2 -1.66711998e+04-4.52903209e+01 4.00477992e-01 4.68020392e-02-1.70655219e-05 3 -2.44131347e-09 1.20879638e-12-1.24985467e+04 2.17297144e+01 4 IC4H9O A08/04C 4 H 9 O 1 0 G 200.0000 6000.0000 1000.00 1 1.16309708e+01 2.47981574e-02-9.01550536e-06 1.46714720e-09-8.83214518e-14 2 -1.37589205e+04-3.81661709e+01 1.04587359e+00 3.89516887e-02 2.47407516e-07 3 -1.71788836e-08 5.72636236e-12-9.83965567e+03 2.09297752e+01 4 IC4H9O2H 7/19/ 0 THERMC 4H 10O 2 0G 300.0000 5000.0000 1388.00 1 1.84308794e+01 2.15337606e-02-7.48623965e-06 1.17499240e-09-6.86890788e-14 2 -3.51363591e+04-7.07883158e+01-1.49127916e-01 6.62201059e-02-5.14586648e-05 3 2.27437216e-08-4.48879466e-12-2.86569886e+04 2.88584472e+01 4 TC4H9O2H T02/10C 4 H 10 O 2 0 G 200.0000 6000.0000 1000.00 1 1.52702114e+01 2.56462637e-02-9.02796199e-06 1.43759278e-09-8.52381573e-14 2 -3.58300974e+04-5.44702622e+01 1.48697373e+00 6.14967632e-02-4.23138726e-05 3 1.55908663e-08-3.01986285e-12-3.18281993e+04 1.75493247e+01 4 IC4H7O 4/ 3/ 0 THERMC 4H 7O 1 0G 300.0000 5000.0000 1386.00 1 1.33457615e+01 1.61218588e-02-5.44376403e-06 8.38199374e-10-4.83608280e-14 2 6.16345222e+02-4.36758261e+01 1.58477305e+00 4.19411413e-02-2.71778144e-05 3 9.54784097e-09-1.52874131e-12 4.88586975e+03 2.01311607e+01 4 IC4H8OH 2/14/95 THERMC 4H 9O 1 0G 300.0000 5000.0000 1376.00 1 1.25605997e+01 2.10637488e-02-7.15019648e-06 1.10439262e-09-6.38428695e-14 2 -1.86150405e+04-3.67823872e+01 3.11675523e+00 3.60541737e-02-1.32600639e-05 3 7.32631674e-10 3.13810579e-13-1.45449808e+04 1.66093740e+01 4 IO2C4H8OH 8/23/95 THERMC 4H 9O 3 0G 300.0000 5000.0000 1395.00 1 1.79798208e+01 2.13452115e-02-7.29108198e-06 1.13068846e-09-6.55402236e-14 2 -3.85656092e+04-6.23413390e+01 2.52027740e+00 6.06672034e-02-4.87606070e-05 3 2.27452303e-08-4.65253364e-12-3.33516242e+04 1.98757039e+01 4 IC3H7CHO 2/22/96 THERMC 4H 8O 1 0G 300.0000 5000.0000 1391.00 1 1.37501656e+01 1.83126722e-02-6.28572629e-06 9.78250756e-10-5.68538653e-14 2 -3.26867966e+04-4.77185691e+01-4.97815555e-01 5.05785856e-02-3.50087894e-05 3 1.34243546e-08-2.34222238e-12-2.75831765e+04 2.92842022e+01 4 TC3H6CHO 2/22/96 THERMC 4H 7O 1 0G 300.0000 5000.0000 1389.00 1 1.31013047e+01 1.66391865e-02-5.68457623e-06 8.81808351e-10-5.11290161e-14 2 -1.30565944e+04-4.42616204e+01 1.63278071e+00 4.31894152e-02-3.06329905e-05 3 1.26386469e-08-2.41057999e-12-8.95373254e+03 1.76105297e+01 4 IC3H6CHO 2/22/96 THERMC 4H 7O 1 0G 300.0000 5000.0000 1390.00 1 1.33102250e+01 1.62097959e-02-5.57575891e-06 8.69003718e-10-5.05554202e-14 2 -7.61542133e+03-4.24972539e+01 3.14216529e-01 4.57951814e-02-3.21039904e-05 3 1.24579032e-08-2.19248618e-12-2.97621468e+03 2.76840450e+01 4 IC3H7CO 2/22/96 THERMC 4H 7O 1 0G 300.0000 5000.0000 1390.00 1 1.33305736e+01 1.61873930e-02-5.56711402e-06 8.67575951e-10-5.04696549e-14 2 -1.37246408e+04-4.33884111e+01 3.05944751e-01 4.55746441e-02-3.14941010e-05 3 1.19416491e-08-2.05176596e-12-9.05796619e+03 2.70242179e+01 4 TC4H8OOH-IO2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1386.00 1 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24240996e+04-8.80183086e+01 1.63071681e+00 7.56995275e-02-6.79963898e-05 3 3.40455549e-08-7.23606374e-12-2.55080169e+04 2.30696077e+01 4 IC4H8OOH-IO2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1385.00 1 2.18969581e+01 2.09637874e-02-7.34664900e-06 1.15926594e-09-6.80225413e-14 2 -2.92514547e+04-8.20354874e+01 1.89488203e+00 7.12374634e-02-6.00340166e-05 3 2.87320006e-08-5.99650596e-12-2.24292721e+04 2.45884253e+01 4 IC4H8OOH-TO2 7/19/ 0 TRMC 4H 9O 4 0G 300.0000 5000.0000 1386.00 1 2.26382889e+01 2.03246143e-02-7.12390770e-06 1.12425028e-09-6.59732993e-14 2 -3.24240996e+04-8.80183086e+01 1.63071681e+00 7.56995275e-02-6.79963898e-05 3 3.40455549e-08-7.23606374e-12-2.55080169e+04 2.30696077e+01 4 IC4KETII 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1387.00 1 1.95143059e+01 1.82377395e-02-6.38908606e-06 1.00801571e-09-5.91440350e-14 2 -4.46779527e+04-7.17037588e+01 8.08137068e-01 6.35476467e-02-5.07452336e-05 3 2.23522447e-08-4.31752989e-12-3.82404125e+04 2.84100352e+01 4 IC4KETIT 7/19/ 0 THERMC 4H 8O 3 0G 300.0000 5000.0000 1388.00 1 2.09369850e+01 1.71090955e-02-6.01892169e-06 9.52353863e-10-5.59926176e-14 2 -4.77728954e+04-8.27605550e+01 8.44361857e-01 6.55191456e-02-5.22662450e-05 3 2.22631738e-08-4.09446322e-12-4.09071281e+04 2.47295339e+01 4 IC4H7OH 4/ 8/97 THERMC 4H 8O 1 0G 300.0000 5000.0000 1384.00 1 1.35043419e+01 1.78646968e-02-5.99304371e-06 9.18717641e-10-5.28435302e-14 2 -2.58200857e+04-4.44578004e+01 1.50941408e+00 4.40189756e-02-2.79568245e-05 3 9.79406132e-09-1.59561789e-12-2.14332436e+04 2.07083973e+01 4 IC4H6OH 8/19/95 THERMC 4H 7O 1 0G 300.0000 5000.0000 1390.00 1 1.40310926e+01 1.55317541e-02-5.32754961e-06 8.28785902e-10-4.81545257e-14 2 -7.68579474e+03-4.76456935e+01 6.03099360e-01 4.87343125e-02-3.86805111e-05 3 1.72644077e-08-3.37579708e-12-3.12366960e+03 2.39948168e+01 4 IC3H5CHO 7/19/95 THERMC 4H 6O 1 0G 300.0000 5000.0000 1396.00 1 1.36203958e+01 1.37917192e-02-4.73370118e-06 7.36655226e-10-4.20097974e-14 2 -1.99949221e+04-4.73089432e+01 3.64930504e-01 4.85508538e-02-4.17713593e-05 3 1.97805330e-08-3.96484516e-12-1.56942615e+04 2.26994707e+01 4 IC3H5CO 4/ 3/ 0 THERMC 4H 5O 1 0G 300.0000 5000.0000 1397.00 1 1.30667437e+01 1.16704244e-02-3.99106523e-06 6.19498148e-10-3.59348249e-14 2 -3.35698435e+03-4.35702170e+01 1.58741872e+00 4.37687332e-02-4.06115627e-05 3 2.05472846e-08-4.29561968e-12 1.96551689e+02 1.64027994e+01 4 TC3H6OCHO 8/25/95 THERMC 4H 7O 2 0G 300.0000 5000.0000 1394.00 1 1.70371287e+01 1.54400645e-02-5.28332886e-06 8.21085347e-10-4.76898429e-14 2 -2.75825348e+04-6.37213852e+01 2.19889844e-01 5.49270005e-02-4.07480874e-05 3 1.55753429e-08-2.50482075e-12-2.18241464e+04 2.64448731e+01 4 IC3H6CO 03/03/95 THERMC 4H 6O 1 0G 300.0000 5000.0000 1397.00 1 1.32548232e+01 1.40142787e-02-4.78910215e-06 7.42924342e-10-4.30737566e-14 2 -2.00450056e+04-4.44712133e+01 2.02381525e+00 4.35350960e-02-3.67504400e-05 3 1.75982623e-08-3.61059493e-12-1.63684946e+04 1.48909620e+01 4 IC4H7OOH 7/19/95 THERMC 4H 8O 2 0G 300.0000 5000.0000 1392.00 1 1.69234564e+01 1.78396769e-02-6.14273279e-06 9.57895028e-10-5.57438304e-14 2 -1.99950318e+04-5.94634844e+01 2.69954617e+00 5.24215821e-02-4.04653729e-05 3 1.78245033e-08-3.49196891e-12-1.50805724e+04 1.66721032e+01 4 TC3H6OHCHO 8/ 1/95 THERMC 4H 8O 2 0G 300.0000 5000.0000 1396.00 1 1.70788996e+01 1.74005554e-02-5.93008112e-06 9.18860909e-10-5.32512140e-14 2 -5.38676142e+04-6.38572039e+01 3.56535445e-02 5.75549079e-02-4.23998471e-05 3 1.64129072e-08-2.71042824e-12-4.80229508e+04 2.75122905e+01 4 TC3H6OH 8/ 9/ 4 THERMC 3H 7O 1 0G 300.0000 5000.0000 1392.00 1 1.12222277e+01 1.36444398e-02-4.51406709e-06 7.10523275e-10-4.22690392e-14 2 -1.75290000e+04-3.18837777e+01 9.00590693e-01 3.94760598e-02-3.07557353e-05 3 1.37271353e-08-2.67833416e-12-1.40569931e+04 2.30668914e+01 4 IC3H5OH 8/ 1/95 THERMC 3H 6O 1 0G 300.0000 5000.0000 1374.00 1 1.07381025e+01 1.31698194e-02-4.41529622e-06 6.77009837e-10-3.89608901e-14 2 -2.47257144e+04-3.13582949e+01 1.44346691e+00 3.26304361e-02-1.97235706e-05 3 6.36801209e-09-9.66622334e-13-2.12504759e+04 1.94169515e+01 4 TC3H6O2CHO 8/ 2/95 THERMC 4H 7O 3 0G 300.0000 5000.0000 1386.00 1 1.85534443e+01 1.68774389e-02-5.90752965e-06 9.31518085e-10-5.46345187e-14 2 -2.85356989e+04-6.82375353e+01 1.88154517e+00 5.62901748e-02-4.32951463e-05 3 1.83784127e-08-3.46501016e-12-2.27099523e+04 2.13167583e+01 4 TC3H6O2HCO 8/ 2/95 THERMC 4H 7O 3 0G 300.0000 5000.0000 1387.00 1 2.06472678e+01 1.48526500e-02-5.25104875e-06 8.33619219e-10-4.91256069e-14 2 -2.88644099e+04-7.95857843e+01 1.78895741e+00 5.98311408e-02-4.73687102e-05 3 1.96949374e-08-3.51565907e-12-2.24037182e+04 2.14109656e+01 4 IC3H5O2HCHO 8/2/95 THERMC 4H 7O 3 0G 300.0000 5000.0000 1387.00 1 2.06288832e+01 1.48625539e-02-5.25305276e-06 8.33772951e-10-4.91277401e-14 2 -2.27510101e+04-7.82865416e+01 1.79985469e+00 6.00960163e-02-4.80948778e-05 3 2.02977978e-08-3.67724048e-12-1.63238540e+04 2.24547088e+01 4 CH2CCH2OH 9/ 8/95 THERMC 3H 5O 1 0G 300.0000 5000.0000 1372.00 1 9.70702027e+00 1.13972660e-02-3.77993962e-06 5.75209277e-10-3.29229125e-14 2 9.13463956e+03-2.24981753e+01 2.79826680e+00 2.48612930e-02-1.28614199e-05 3 3.05591418e-09-2.80089745e-13 1.18020588e+04 1.55689719e+01 4 TC4H8CHO 9/ 7/95 THERMC 5H 9O 1 0G 300.0000 5000.0000 1397.00 1 1.79663933e+01 1.94207117e-02-6.67409451e-06 1.03969221e-09-6.04702651e-14 2 -1.33290129e+04-6.79722936e+01-1.21024302e+00 6.60021542e-02-5.12459271e-05 3 2.13805609e-08-3.83284802e-12-6.84078588e+03 3.44318763e+01 4 O2C4H8CHO 9/ 7/95 THERMC 5H 9O 3 0G 300.0000 5000.0000 1395.00 1 2.12629904e+01 2.14072282e-02-7.38342949e-06 1.15281523e-09-6.71508438e-14 2 -3.16759190e+04-7.99711370e+01 1.61054835e+00 6.89260792e-02-5.31842412e-05 3 2.25188306e-08-4.16253031e-12-2.49532329e+04 2.51444489e+01 4 O2HC4H8CO 9/ 7/95 THERMC 5H 9O 3 0G 300.0000 5000.0000 1394.00 1 2.38219630e+01 1.91411448e-02-6.67919154e-06 1.05127303e-09-6.15876805e-14 2 -3.23026958e+04-9.42498338e+01 1.60979361e+00 7.08931778e-02-5.28943897e-05 3 2.02606594e-08-3.28148762e-12-2.46363657e+04 2.50204293e+01 4 C3H5OH T06/10C 3 H 6 O 1 0 G 200.0000 6000.0000 1000.00 1 8.72477114e+00 1.63942712e-02-5.90852993e-06 9.53262253e-10-5.70318010e-14 2 -1.90297254e+04-1.96977498e+01 1.07908632e+00 3.03290941e-02-8.13245918e-06 3 -5.82060856e-09 2.65163022e-12-1.64584070e+04 2.18747031e+01 4 TIC4H7Q2-I 5/ 6/96 THERMC 4H 9O 4 0G 300.0000 5000.0000 1400.00 1 2.33848631e+01 1.87070035e-02-6.44021945e-06 1.00428123e-09-5.84468189e-14 2 -2.61083043e+04-8.76489968e+01 4.17242906e+00 6.83488114e-02-5.78783421e-05 3 2.65114182e-08-5.12377387e-12-1.98596776e+04 1.39752879e+01 4 IIC4H7Q2-I 7/15/96 THERMC 4H 9O 4 0G 300.0000 5000.0000 1394.00 1 2.30500244e+01 1.92149194e-02-6.66622576e-06 1.04495725e-09-6.10370520e-14 2 -2.32007124e+04-8.39851677e+01 4.67221790e+00 6.24293956e-02-4.66459033e-05 3 1.88266029e-08-3.32927473e-12-1.68159110e+04 1.47021979e+01 4 IIC4H7Q2-T 7/15/96 THERMC 4H 9O 4 0G 300.0000 5000.0000 1377.00 1 2.15070321e+01 2.05359839e-02-7.12383399e-06 1.11655053e-09-6.52112103e-14 2 -2.51061790e+04-7.43310737e+01 7.97450508e+00 4.47988084e-02-2.08528958e-05 3 3.40096029e-09-1.23185122e-14-1.96315498e+04 1.04787498e+00 4 C5H11-1 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1396.00 1 1.54992372e+01 2.38273176e-02-8.13845161e-06 1.26220569e-09-7.31730066e-14 2 -1.00140332e+03-5.58459197e+01-1.26756902e+00 6.19398276e-02-4.23534133e-05 3 1.62626304e-08-2.85602685e-12 5.00411372e+03 3.47420520e+01 4 NC5H12 8/ 4/ 4 THERMC 5H 12 0 0G 300.0000 5000.0000 1396.00 1 1.59247008e+01 2.59703101e-02-8.86821278e-06 1.37514707e-09-7.97105419e-14 2 -2.60734552e+04-6.16886992e+01-1.96804533e+00 6.61904653e-02-4.44304790e-05 3 1.67167674e-08-2.89387734e-12-1.96187826e+04 3.51434853e+01 4 C5H11-2 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1391.00 1 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14338814e+03-5.17858896e+01 5.96465614e-01 5.06556209e-02-2.40171478e-05 3 4.04729473e-09 5.20114365e-14 3.47695208e+03 2.72862842e+01 4 C5H11-3 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1391.00 1 1.48744992e+01 2.40593799e-02-8.15587903e-06 1.25867109e-09-7.27223868e-14 2 -2.14338814e+03-5.24753712e+01 5.96465614e-01 5.06556209e-02-2.40171478e-05 3 4.04729473e-09 5.20114365e-14 3.47695208e+03 2.65968026e+01 4 C5H10-1 4/ 7/97 THERMC 5H 10 0 0G 300.0000 5000.0000 1392.00 1 1.45851539e+01 2.24072471e-02-7.63348025e-06 1.18188966e-09-6.84385139e-14 2 -1.00808418e+04-5.23573383e+01-1.35380578e+00 5.95079958e-02-4.22846191e-05 3 1.71640891e-08-3.17684948e-12-4.43653937e+03 3.34921121e+01 4 C5H10-2 4/ 7/97 THERMC 5H 10 0 0G 300.0000 5000.0000 1389.00 1 1.41109267e+01 2.28348272e-02-7.78626835e-06 1.20627491e-09-6.98795983e-14 2 -1.14249682e+04-5.01494119e+01-8.25713234e-01 5.59977756e-02-3.70737900e-05 3 1.41050987e-08-2.53833461e-12-5.95788553e+03 3.09012282e+01 4 C5H81-3 3/27/97 THERMC 5H 8 0 0G 300.0000 5000.0000 1396.00 1 1.45574490e+01 1.80939266e-02-6.21671892e-06 9.67920254e-10-5.62629326e-14 2 1.23744546e+03-5.43720210e+01-2.76966212e+00 6.70392524e-02-6.30403426e-05 3 3.25067944e-08-6.91923502e-12 6.59586350e+03 3.60568505e+01 4 C5H91-3 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1392.00 1 1.41860454e+01 2.07128899e-02-7.06960617e-06 1.09607133e-09-6.35322208e-14 2 7.01316157e+03-5.14400770e+01-1.64668882e+00 5.76680294e-02-4.14355760e-05 3 1.67364528e-08-3.04786361e-12 1.25854269e+04 3.37577228e+01 4 C5H91-4 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1379.00 1 1.39904314e+01 1.99962562e-02-6.73105937e-06 1.03447598e-09-5.96148983e-14 2 1.36126926e+04-4.58688855e+01 3.28127798e-02 4.87853250e-02-2.84445880e-05 3 8.39912005e-09-1.10045901e-12 1.88472803e+04 3.04812665e+01 4 C5H91-5 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1392.00 1 1.41604486e+01 2.02710046e-02-6.90765357e-06 1.06972742e-09-6.19529514e-14 2 1.49878020e+04-4.72199218e+01-5.69601155e-01 5.48294350e-02-3.94856071e-05 3 1.62165540e-08-3.01959930e-12 2.01749515e+04 3.20187275e+01 4 C5H92-4 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1389.00 1 1.37128284e+01 2.11391857e-02-7.22186145e-06 1.12036442e-09-6.49675872e-14 2 5.66866311e+03-4.92378494e+01-1.11960209e+00 5.41603075e-02-3.62218414e-05 3 1.36701483e-08-2.40624403e-12 1.10642566e+04 3.11717531e+01 4 C5H92-5 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1389.00 1 1.36885460e+01 2.06966684e-02-7.05980383e-06 1.09401634e-09-6.33885833e-14 2 1.36425180e+04-4.50208346e+01-4.45735989e-02 5.13299272e-02-3.42810943e-05 3 1.31548341e-08-2.37884422e-12 1.86541029e+04 2.94474450e+01 4 C5H9O1-3 4/ 7/97 THERMC 5H 9O 1 0G 300.0000 5000.0000 1393.00 1 1.86270165e+01 1.85189638e-02-6.21111137e-06 9.52916260e-10-5.48704082e-14 2 -4.96624975e+03-7.09589753e+01-2.46000122e+00 7.14058097e-02-5.81181487e-05 3 2.49184250e-08-4.47445775e-12 1.94154829e+03 4.09516106e+01 4 C5H9O2-4 4/ 7/97 THERMC 5H 9O 1 0G 300.0000 5000.0000 1387.00 1 1.86104516e+01 1.87100216e-02-6.31627652e-06 9.73434030e-10-5.62316246e-14 2 -6.59046749e+03-7.05098178e+01-1.83850562e+00 6.63993211e-02-4.86122571e-05 3 1.82490800e-08-2.87297548e-12 4.27575137e+02 3.92158643e+01 4 C5H11O-1 4/ 7/97 THERMC 5H 11O 1 0G 300.0000 5000.0000 1391.00 1 1.73225378e+01 2.48217999e-02-8.48159842e-06 1.31587304e-09-7.63050620e-14 2 -1.83255475e+04-6.37556677e+01-4.20606268e-01 6.57757040e-02-4.64094108e-05 3 1.87206447e-08-3.46366408e-12-1.20006041e+04 3.19471494e+01 4 C5H11O-2 4/ 7/97 THERMC 5H 11O 1 0G 300.0000 5000.0000 1396.00 1 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06241096e+04-6.67480330e+01-8.47293105e-01 6.98362220e-02-5.30669939e-05 3 2.29244367e-08-4.39509277e-12-1.42022010e+04 3.31111700e+01 4 C5H11O-3 4/ 7/97 THERMC 5H 11O 1 0G 300.0000 5000.0000 1396.00 1 1.78183150e+01 2.44541516e-02-8.36505611e-06 1.29863054e-09-7.53356869e-14 2 -2.06241096e+04-6.74375146e+01-8.47293105e-01 6.98362220e-02-5.30669939e-05 3 2.29244367e-08-4.39509277e-12-1.42022010e+04 3.24216884e+01 4 C5H11O2H-1 7/19/ 0 THERMC 5H 12O 2 0G 300.0000 5000.0000 1387.00 1 2.14180725e+01 2.62251472e-02-9.10691067e-06 1.42824507e-09-8.34473635e-14 2 -3.80255397e+04-8.39566735e+01-5.06503525e-03 7.73174545e-02-5.92050599e-05 3 2.61079258e-08-5.19482144e-12-3.04848319e+04 3.11396440e+01 4 C5H11O2H-2 7/19/ 0 THERMC 5H 12O 2 0G 300.0000 5000.0000 1390.00 1 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.05877015e+04-8.84645597e+01-7.59661932e-01 8.26143210e-02-6.71344572e-05 3 3.07813979e-08-6.17296594e-12-3.27842690e+04 3.38356743e+01 4 C5H11O2H-3 7/19/ 0 THERMC 5H 12O 2 0G 300.0000 5000.0000 1390.00 1 2.21712264e+01 2.55540337e-02-8.86857346e-06 1.39034021e-09-8.12122040e-14 2 -4.05877015e+04-8.84645597e+01-7.59661932e-01 8.26143210e-02-6.71344572e-05 3 3.07813979e-08-6.17296594e-12-3.27842690e+04 3.38356743e+01 4 C5H11O2-1 7/19/ 0 THERMC 5H 11O 2 0G 300.0000 5000.0000 1386.00 1 1.89702536e+01 2.60355552e-02-9.00706834e-06 1.40888868e-09-8.21618381e-14 2 -2.01104172e+04-6.97293146e+01 9.05402370e-01 6.88083067e-02-5.16246995e-05 3 2.32480970e-08-4.82354818e-12-1.36303142e+04 2.75980315e+01 4 C5H11O2-2 7/19/ 0 THERMC 5H 11O 2 0G 300.0000 5000.0000 1389.00 1 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26366473e+04-7.38743530e+01 2.04532828e-01 7.39773539e-02-5.95706897e-05 3 2.80161098e-08-5.83496536e-12-1.59401128e+04 3.00260247e+01 4 C5H11O2-3 7/19/ 0 THERMC 5H 11O 2 0G 300.0000 5000.0000 1389.00 1 1.96655539e+01 2.53946113e-02-8.77477373e-06 1.37145913e-09-7.99350015e-14 2 -2.26366473e+04-7.38743530e+01 2.04532828e-01 7.39773539e-02-5.95706897e-05 3 2.80161098e-08-5.83496536e-12-1.59401128e+04 3.00260247e+01 4 C5H10OOH1-2 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1379.00 1 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43157139e+04-7.79043102e+01 1.36409345e+00 6.63981720e-02-4.44183405e-05 3 1.61506190e-08-2.70223934e-12-7.19329181e+03 2.82544646e+01 4 C5H10OOH1-3 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1379.00 1 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43157139e+04-7.79043102e+01 1.36409345e+00 6.63981720e-02-4.44183405e-05 3 1.61506190e-08-2.70223934e-12-7.19329181e+03 2.82544646e+01 4 C5H10OOH1-4 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1379.00 1 2.09225281e+01 2.34863057e-02-8.03644420e-06 1.24880724e-09-7.25227776e-14 2 -1.43157139e+04-7.79043102e+01 1.36409345e+00 6.63981720e-02-4.44183405e-05 3 1.61506190e-08-2.70223934e-12-7.19329181e+03 2.82544646e+01 4 C5H10OOH1-5 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1387.00 1 2.10114488e+01 2.40561226e-02-8.36616955e-06 1.31339875e-09-7.67917194e-14 2 -1.29621089e+04-7.89161044e+01 8.18779118e-01 7.24472383e-02-5.60668176e-05 3 2.49037245e-08-4.96915432e-12-5.87916529e+03 2.94845992e+01 4 C5H10OOH2-1 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1390.00 1 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55118399e+04-8.32916998e+01 5.36294485e-02 7.78241557e-02-6.41901668e-05 3 2.97321983e-08-5.98788104e-12-8.17758684e+03 3.22292549e+01 4 C5H10OOH2-3 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1388.00 1 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66593215e+04-7.91249231e+01 9.12381457e-01 7.08642847e-02-5.23069217e-05 3 2.16139697e-08-4.02019065e-12-9.54785527e+03 2.94644004e+01 4 C5H10OOH2-4 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1388.00 1 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66593215e+04-7.91249231e+01 9.12381457e-01 7.08642847e-02-5.23069217e-05 3 2.16139697e-08-4.02019065e-12-9.54785527e+03 2.94644004e+01 4 C5H10OOH2-5 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1390.00 1 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55118399e+04-8.32916998e+01 5.36294485e-02 7.78241557e-02-6.41901668e-05 3 2.97321983e-08-5.98788104e-12-8.17758684e+03 3.22292549e+01 4 C5H10OOH3-1 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1390.00 1 2.17441074e+01 2.33958311e-02-8.13002591e-06 1.27566943e-09-7.45598238e-14 2 -1.55118399e+04-8.32916998e+01 5.36294485e-02 7.78241557e-02-6.41901668e-05 3 2.97321983e-08-5.98788104e-12-8.17758684e+03 3.22292549e+01 4 C5H10OOH3-2 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1388.00 1 2.10899451e+01 2.37168023e-02-8.19006128e-06 1.27986065e-09-7.45974063e-14 2 -1.66593215e+04-7.91249231e+01 9.12381457e-01 7.08642847e-02-5.23069217e-05 3 2.16139697e-08-4.02019065e-12-9.54785527e+03 2.94644004e+01 4 C5H10O1-2 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1382.00 1 1.83450823e+01 2.15894287e-02-7.59914917e-06 1.20265688e-09-7.07149348e-14 2 -2.52765392e+04-7.38558244e+01-3.02195722e+00 7.39615835e-02-6.08749563e-05 3 2.84192821e-08-5.85424728e-12-1.78756056e+04 4.04815006e+01 4 C5H10O1-3 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1370.00 1 1.85051134e+01 2.17909650e-02-7.74803799e-06 1.23453810e-09-7.29327086e-14 2 -2.62020981e+04-7.74361512e+01-3.15128988e+00 6.83675601e-02-4.73786112e-05 3 1.83310055e-08-3.40327122e-12-1.81166699e+04 4.06393336e+01 4 C5H10O1-4 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1371.00 1 1.77074517e+01 2.24725523e-02-7.98404192e-06 1.27146816e-09-7.50866945e-14 2 -3.62932496e+04-7.27226052e+01-4.40260695e+00 7.01588371e-02-4.87488922e-05 3 1.89483515e-08-3.52753314e-12-2.80487957e+04 4.77836772e+01 4 C5H10O1-5 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1457.00 1 2.13684109e+01 1.97321411e-02-7.12842160e-06 1.14789888e-09-6.83162787e-14 2 -3.89896158e+04-1.00039515e+02-2.86045971e+00 5.89468164e-02-1.85344806e-05 3 -7.27927783e-09 3.78648410e-12-2.91198010e+04 3.57632248e+01 4 C5H10O2-3 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1385.00 1 1.89379846e+01 2.10434849e-02-7.40107577e-06 1.17069402e-09-6.88106356e-14 2 -2.76070334e+04-7.73821895e+01-3.56356643e+00 7.84018883e-02-6.78730275e-05 3 3.26677942e-08-6.75996488e-12-2.00569147e+04 4.22017451e+01 4 C5H10O2-4 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1376.00 1 1.91186278e+01 2.12169126e-02-7.53764833e-06 1.20035780e-09-7.08866585e-14 2 -2.85074173e+04-8.03232157e+01-3.98943558e+00 7.48380759e-02-5.80426892e-05 3 2.51263954e-08-4.92009121e-12-2.02721523e+04 4.42749685e+01 4 C5H10OOH1-2O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46166345e+04-9.90801215e+01 1.94105689e+00 8.54418877e-02-7.31217494e-05 3 3.54021953e-08-7.40653396e-12-2.66753157e+04 2.63733767e+01 4 C5H10OOH1-3O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46166345e+04-9.90801215e+01 1.94105689e+00 8.54418877e-02-7.31217494e-05 3 3.54021953e-08-7.40653396e-12-2.66753157e+04 2.63733767e+01 4 C5H10OOH1-4O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46166345e+04-9.90801215e+01 1.94105689e+00 8.54418877e-02-7.31217494e-05 3 3.54021953e-08-7.40653396e-12-2.66753157e+04 2.63733767e+01 4 C5H10OOH1-5O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1385.00 1 2.48666576e+01 2.56688838e-02-8.97169324e-06 1.41315614e-09-8.28158711e-14 2 -3.21307368e+04-9.50999186e+01 2.24899002e+00 8.13627866e-02-6.62481985e-05 3 3.10739075e-08-6.45584504e-12-2.42881747e+04 2.58980730e+01 4 C5H10OOH2-1O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46166345e+04-9.90801215e+01 1.94105689e+00 8.54418877e-02-7.31217494e-05 3 3.54021953e-08-7.40653396e-12-2.66753157e+04 2.63733767e+01 4 C5H10OOH2-3O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1389.00 1 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71351383e+04-1.03412361e+02 1.48047929e+00 9.00758331e-02-8.06192410e-05 3 4.00306682e-08-8.41084000e-12-2.90366622e+04 2.75731141e+01 4 C5H10OOH2-4O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1389.00 1 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71351383e+04-1.03412361e+02 1.48047929e+00 9.00758331e-02-8.06192410e-05 3 4.00306682e-08-8.41084000e-12-2.90366622e+04 2.75731141e+01 4 C5H10OOH2-5O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46166345e+04-9.90801215e+01 1.94105689e+00 8.54418877e-02-7.31217494e-05 3 3.54021953e-08-7.40653396e-12-2.66753157e+04 2.63733767e+01 4 C5H10OOH3-1O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.55478814e+01 2.50385111e-02-8.74243938e-06 1.37611416e-09-8.06073182e-14 2 -3.46166345e+04-9.90801215e+01 1.94105689e+00 8.54418877e-02-7.31217494e-05 3 3.54021953e-08-7.40653396e-12-2.66753157e+04 2.63733767e+01 4 C5H10OOH3-2O2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1389.00 1 2.62850175e+01 2.43678422e-02-8.50101950e-06 1.33736519e-09-7.83075048e-14 2 -3.71351383e+04-1.03412361e+02 1.48047929e+00 9.00758331e-02-8.06192410e-05 3 4.00306682e-08-8.41084000e-12-2.90366622e+04 2.75731141e+01 4 NC5KET12 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1389.00 1 2.34427049e+01 2.21540692e-02-7.74817880e-06 1.22107095e-09-7.15883644e-14 2 -4.99210456e+04-9.09797947e+01 1.05451475e-01 8.07787577e-02-6.77181956e-05 3 3.12464293e-08-6.21131756e-12-4.20806796e+04 3.32100307e+01 4 NC5KET13 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1387.00 1 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00378200e+04-8.71493380e+01 2.05117437e+00 7.43631979e-02-6.13552032e-05 3 2.87534724e-08-5.90132879e-12-4.29504750e+04 2.34936814e+01 4 NC5KET14 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1387.00 1 2.27897549e+01 2.26387719e-02-7.89832354e-06 1.24260309e-09-7.27609759e-14 2 -5.00378200e+04-8.71493380e+01 2.05117437e+00 7.43631979e-02-6.13552032e-05 3 2.87534724e-08-5.90132879e-12-4.29504750e+04 2.34936814e+01 4 NC5KET15 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1383.00 1 2.21776239e+01 2.31939864e-02-8.09797899e-06 1.27464047e-09-7.46625107e-14 2 -4.75470379e+04-8.34916501e+01 2.75626348e+00 6.91289440e-02-5.31102275e-05 3 2.36884739e-08-4.80419442e-12-4.06411329e+04 2.10452150e+01 4 NC5KET21 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1379.00 1 2.17534680e+01 2.36666119e-02-8.28610759e-06 1.30663620e-09-7.66324076e-14 2 -5.12664110e+04-8.09153320e+01 4.05633855e+00 6.38643164e-02-4.68417884e-05 3 2.08038387e-08-4.37534855e-12-4.47198136e+04 1.50895113e+01 4 NC5KET23 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1387.00 1 2.31409808e+01 2.24801534e-02-7.87662916e-06 1.24282516e-09-7.29252729e-14 2 -5.36639418e+04-9.00359884e+01-3.65805695e-01 8.10037759e-02-6.73199075e-05 3 3.09327352e-08-6.16091604e-12-4.57024646e+04 3.52643945e+01 4 NC5KET24 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1385.00 1 2.25126387e+01 2.29495597e-02-8.02286486e-06 1.26389975e-09-7.40777420e-14 2 -5.37972937e+04-8.63604358e+01 1.69927881e+00 7.39469319e-02-5.98211859e-05 3 2.76424629e-08-5.65573462e-12-4.65878982e+04 2.50153378e+01 4 NC5KET25 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1382.00 1 2.19099644e+01 2.35018200e-02-8.22261497e-06 1.29606701e-09-7.59914647e-14 2 -5.13098734e+04-8.27531554e+01 2.28357471e+00 6.93104380e-02-5.25193603e-05 3 2.31901888e-08-4.70001718e-12-4.42619205e+04 2.31187037e+01 4 NC5KET31 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1382.00 1 2.17723599e+01 2.36116706e-02-8.25813864e-06 1.30129886e-09-7.62813000e-14 2 -5.13375143e+04-8.16177661e+01 2.58234888e+00 7.04669680e-02-5.69203812e-05 3 2.72077066e-08-5.83403126e-12-4.45671751e+04 2.13246263e+01 4 NC5KET32 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1387.00 1 2.29536744e+01 2.26192649e-02-7.91922638e-06 1.24883440e-09-7.32467701e-14 2 -5.36627431e+04-8.85914475e+01 1.80677456e-01 8.10589918e-02-7.00905171e-05 3 3.39032382e-08-7.04735571e-12-4.60450806e+04 3.23236068e+01 4 C5H10OH-1 1/14/99 THERMC 5H 11O 1 0G 300.0000 5000.0000 1371.00 1 1.75642279e+01 2.33577469e-02-7.81503517e-06 1.19674654e-09-6.88114207e-14 2 -2.11549438e+04-6.19751085e+01 7.57994338e-01 5.72241458e-02-3.20402079e-05 3 8.57035197e-09-9.43880413e-13-1.47977043e+04 3.01967854e+01 4 C5H10OH-2 1/14/99 THERMC 5H 11O 1 0G 300.0000 5000.0000 1390.00 1 1.72742775e+01 2.39409708e-02-8.07388576e-06 1.24188426e-09-7.15926603e-14 2 -2.30978318e+04-6.11013108e+01 2.21430105e-01 6.23284643e-02-4.16941080e-05 3 1.54102398e-08-2.58938415e-12-1.69913249e+04 3.10974860e+01 4 O2C5H10OH-1 1/14/99 THRMC 5H 11O 3 0G 300.0000 5000.0000 1395.00 1 2.06059936e+01 2.61750874e-02-8.92270421e-06 1.38184638e-09-8.00235870e-14 2 -4.07372697e+04-7.38791510e+01 2.30667242e+00 7.11736946e-02-5.43778185e-05 3 2.41436912e-08-4.78257854e-12-3.44427594e+04 2.39300898e+01 4 O2C5H10OH-2 1/14/99 THRMC 5H 11O 3 0G 300.0000 5000.0000 1398.00 1 2.15259930e+01 2.54039694e-02-8.65952886e-06 1.34110440e-09-7.76663740e-14 2 -4.32346060e+04-8.00640068e+01 1.48822571e+00 7.67059071e-02-6.22868536e-05 3 2.86480760e-08-5.70181757e-12-3.65825129e+04 2.62508620e+01 4 C6H6 G 6/01C 6H 6 0 0G 200.0000 6000.0000 1000.00 1 1.10809576e+01 2.07176746e-02-7.52145991e-06 1.22320984e-09-7.36091279e-14 2 4.34183808e+03-4.00020271e+01-3.17548099e+00 4.95562411e-02-1.67521327e-05 3 -9.80538971e-09 5.60353530e-12 8.87760535e+03 3.65116455e+01 4 C*CCJC*C 3/1/95 Z&B C 5H 7 0 0G 300.0000 5000.0000 1388.00 1 1.40879309e+01 1.62398907e-02-5.64768950e-06 8.86857524e-10-5.18698993e-14 2 1.76889077e+04-5.13623536e+01-3.24278047e+00 5.90045202e-02-4.80709380e-05 3 2.13470507e-08-4.09537983e-12 2.35451195e+04 4.10586934e+01 4 CC3H4 T12/81C 3H 4 0 0G 300.0000 5000.0000 1000.00 1 6.69999310e+00 1.03573720e-02-3.45511670e-06 5.06529490e-10-2.66822760e-14 2 3.02103446e+04-1.33617331e+01-1.41811934e+00 3.45864367e-02-3.38615943e-05 3 2.11047403e-08-6.32936777e-12 3.24604016e+04 2.83999761e+01 4 C4H4 H6W/94C 4H 4 0 0G 300.0000 3000.0000 1000.00 1 6.65070920e+00 1.61294340e-02-7.19388750e-06 1.49817870e-09-1.18641100e-13 2 3.11941804e+04-9.79763655e+00-1.69617924e+00 5.09605634e-02-6.66241566e-05 3 4.92528826e-08-1.49273168e-11 3.29586530e+04 3.05285656e+01 4 C4H3-I AB1/93C 4H 3 0 0G 300.0000 3000.0000 1000.00 1 9.09781650e+00 9.22071190e-03-3.38784410e-06 4.91604980e-10-1.45297800e-14 2 5.65975167e+04-1.98068720e+01 2.45460747e+00 3.77975258e-02-5.36240630e-05 3 4.18064371e-08-1.30267479e-11 5.79714606e+04 1.21055296e+01 4 C4H612 A 8/83C 4H 6 0 0G 300.0000 3000.0000 1000.00 1 1.78155700e+01-4.25750200e-03 1.05118500e-05-4.47384400e-09 5.84813800e-13 2 1.27013228e+04-6.97860032e+01-1.96318770e+00 5.92861536e-02-9.00548681e-05 3 8.51436562e-08-3.22308662e-11 1.83892530e+04 3.19119381e+01 4 C6H5 T04/02C 6H 5 0 0G 200.0000 6000.0000 1000.00 1 1.08444762e+01 1.73212473e-02-6.29233249e-06 1.02369961e-09-6.16216828e-14 2 3.55921315e+04-3.53376975e+01-3.14340440e+00 4.87729903e-02-2.35737856e-05 3 -2.81710069e-09 3.59676935e-12 3.98431468e+04 3.88418111e+01 4 C4H2 D11/99C 4H 2 0 0G 300.0000 3000.0000 1000.00 1 9.15763280e+00 5.54305180e-03-1.35916040e-06 1.87800750e-11 2.31895360e-14 2 5.25876602e+04-2.37120183e+01 1.09958622e+00 4.12576232e-02-6.48335819e-05 3 5.20560954e-08-1.61962290e-11 5.41811165e+04 1.46827177e+01 4 C4H3-N H6W/94C 4H 3 0 0G 300.0000 3000.0000 1000.00 1 5.43282790e+00 1.68609810e-02-9.43131090e-06 2.57038950e-09-2.74563090e-13 2 6.15975104e+04-1.57183410e+00 6.65340708e-02 4.37788306e-02-5.92868526e-05 3 4.29930994e-08-1.23932871e-11 6.24414607e+04 2.30625760e+01 4 C4H5-I H6W/94C 4H 5 0 0G 300.0000 3000.0000 1000.00 1 1.02290920e+01 9.48501380e-03-9.04064450e-08-1.25961000e-09 2.47814680e-13 2 3.46522118e+04-2.85502516e+01-1.17929289e+00 4.74811967e-02-5.41941324e-05 3 3.85928326e-08-1.20887001e-11 3.76012728e+04 2.91117405e+01 4 CH3CHCHCO T03/97C 4H 5O 1 0G 200.0000 6000.0000 1000.00 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 6.34301700e+02-2.00043084e+01 2.05233908e-01 2.56283151e-02 1.64793769e-05 3 -3.79337789e-08 1.58083611e-11 3.45343857e+03 2.75134630e+01 4 CH2CHCHCHO T03/97C 4H 5O 1 0G 200.0000 6000.0000 1000.00 1 8.90967920e+00 1.34364140e-02-7.62977390e-07-1.69114810e-09 2.95540440e-13 2 6.34301700e+02-2.00043084e+01 2.05233908e-01 2.56283151e-02 1.64793769e-05 3 -3.79337789e-08 1.58083611e-11 3.45343857e+03 2.75134630e+01 4 C4H6O25 T 3/97C 4H 6O 1 0G 200.0000 5000.0000 1000.00 1 8.60658242e+00 2.08310051e-02-8.42229481e-06 1.56717640e-09-1.09391202e-13 2 -1.75860496e+04-2.32113159e+01-6.21682199e-01 3.27054183e-02 7.66227353e-06 3 -2.93121415e-08 1.20392098e-11-1.43664051e+04 2.78745361e+01 4 C2H3CHOCH2 A 8/83C 4H 6O 1 0G 300.0000 3000.0000 1000.00 1 -4.72093360e+00 3.91413780e-02-6.52872650e-06-7.68209500e-09 2.51473310e-12 2 1.91369267e+03 5.41999709e+01 4.08927878e+00 7.53062497e-03 6.29674714e-05 3 -8.70830812e-08 3.52200621e-11-9.47361734e+02 8.49449708e+00 4 C4H5-2 H6W/94C 4H 5 0 0G 300.0000 3000.0000 1000.00 1 1.45381710e+01-8.56770560e-03 2.35595240e-05-1.36763790e-08 2.44369270e-12 2 3.24688460e+04-4.72710375e+01 3.84811881e+00 1.72457387e-02 1.11700414e-05 3 -2.35775381e-08 9.61094220e-12 3.54238434e+04 8.46309788e+00 4 C4H6-2 A 8/83C 4H 6 0 0G 300.0000 3000.0000 1000.00 1 9.03381330e+00 8.21245100e-03 7.17539520e-06-5.88343340e-09 1.03439150e-12 2 1.38005515e+04-2.22557563e+01 2.68090431e+00 2.20343214e-02 3.49427039e-06 3 -1.45751590e-08 5.93828052e-12 1.56617205e+04 1.13185459e+01 4 C4H6O23 T 3/97C 4H 6O 1 0G 200.0000 5000.0000 1000.00 1 8.60658242e+00 2.08310051e-02-8.42229481e-06 1.56717640e-09-1.09391202e-13 2 -1.32075896e+04-2.32113159e+01-6.21682199e-01 3.27054183e-02 7.66227353e-06 3 -2.93121415e-08 1.20392098e-11-9.98794511e+03 2.78745361e+01 4 C4H4O T03/97C 4H 4O 1 0G 200.0000 6000.0000 1000.00 1 9.38935003e+00 1.40291241e-02-5.07755110e-06 8.24137332e-10-4.95319963e-14 2 -8.65330195e+03-2.78839903e+01-2.17717512e+00 3.86991735e-02-1.44748699e-05 3 -8.12527277e-09 5.19367263e-12-5.10065032e+03 3.37156804e+01 4 H2CC L12/89H 2C 2 0 0G 200.0000 6000.0000 1000.00 1 4.27803400e+00 4.75628040e-03-1.63010090e-06 2.54628060e-10-1.48863790e-14 2 4.83185949e+04 6.42352057e-01 3.08349615e+00 8.64763297e-03-7.26037147e-06 3 4.61926289e-09-1.44606536e-12 4.86392904e+04 6.72062639e+00 4 H2C4O 120189H 2C 4O 1 G 300.0000 4000.0000 1000.00 1 1.02688800e+01 4.89616400e-03-4.88508100e-07-2.70856600e-10 5.10701300e-14 2 2.34690263e+04-2.81598636e+01 4.81098781e+00 1.31398555e-02 9.86873442e-07 3 -6.12112555e-09 1.64015819e-12 2.54580285e+04 2.11335530e+00 4 C6H2 P 1/93C 6H 2 0 0G 300.0000 3000.0000 1000.00 1 1.32262810e+01 7.39043020e-03-2.27153810e-06 2.58752170e-10-5.53567410e-15 2 8.05552783e+04-4.12162402e+01-3.60829071e-01 7.04574438e-02-1.19693437e-04 3 1.00249949e-07-3.20547374e-11 8.31615555e+04 2.29660283e+01 4 C6H3 H6W/94C 6H 3 0 0G 300.0000 3000.0000 1000.00 1 5.81883430e+00 2.79334080e-02-1.78254270e-05 5.37025360e-09-6.17076270e-13 2 8.51847956e+04-9.26482377e-01 1.60476335e+00 5.20681461e-02-6.32967603e-05 3 4.07649896e-08-1.04611462e-11 8.56087386e+04 1.74469892e+01 4 L-C6H4 H6W/94C 6H 4 0 0G 300.0000 3000.0000 1000.00 1 1.27151820e+01 1.38396620e-02-4.37654400e-06 3.15416360e-10 4.66190260e-14 2 5.70364208e+04-3.94563638e+01-3.62867923e-01 6.34375014e-02-8.29011648e-05 3 6.08833396e-08-1.85164729e-11 6.00610622e+04 2.49995408e+01 4 C-C6H4 A02/05C 6.H 4. 0. 0.G 200.0000 6000.0000 1000.00 1 1.05707063e+01 1.56860613e-02-5.68267148e-06 9.22956737e-10-5.54966417e-14 2 5.05208782e+04-3.32306404e+01-1.68975893e+00 4.51445753e-02-2.77159677e-05 3 5.65586817e-09 4.68394140e-14 5.41928235e+04 3.14165660e+01 4 C6H5OH L 4/84C 6H 6O 1 0G 300.0000 5000.0000 1000.00 1 1.49120730e+01 1.83781350e-02-6.19831280e-06 9.19832210e-10-4.92095650e-14 2 -1.83501849e+04-5.58863612e+01-4.78237191e+00 7.74994059e-02-7.81165464e-05 3 4.61702663e-08-1.28082361e-11-1.30044341e+04 4.51021691e+01 4 C6H5O T05/02C 6H 5O 1 0G 200.0000 6000.0000 1000.00 1 1.37221720e+01 1.74688771e-02-6.35504520e-06 1.03492308e-09-6.23410504e-14 2 3.14211192e+02-4.87882844e+01-3.26440985e+00 6.49555094e-02-5.56335977e-05 3 2.50784585e-08-5.32737448e-12 5.02578387e+03 3.90052566e+01 4 P-C6H4O2 AK0405C 6H 4O 2 0G 270.0000 3000.0000 1370.00 1 1.23423732e+01 2.40612690e-02-1.16565184e-05 2.71393504e-09-2.47643065e-13 2 -2.06185313e+04-4.08244028e+01-2.43170132e+00 6.87937621e-02-6.41382867e-05 3 3.08126882e-08-5.99832155e-12-1.65696994e+04 3.48309438e+01 4 P-C6H3O2 AK0505C 6H 3O 2 0G 270.0000 3000.0000 1290.00 1 1.22963699e+01 2.15055142e-02-1.07516136e-05 2.57528163e-09-2.41023652e-13 2 1.15428998e+04-3.72584003e+01-1.57852377e+00 6.55376494e-02-6.50308770e-05 3 3.32026598e-08-6.86665685e-12 1.51750093e+04 3.31518651e+01 4 O-C6H4O2 AK0405C 6H 4O 2 0G 270.0000 3000.0000 1370.00 1 1.23614349e+01 2.40491397e-02-1.16529057e-05 2.71332785e-09-2.47593219e-13 2 -1.67079717e+04-4.00310859e+01-2.36179714e+00 6.86058345e-02-6.39129519e-05 3 3.06903012e-08-5.97357792e-12-1.26704431e+04 3.53724483e+01 4 C5H5 TAK0505C 5H 5 0 0G 298.1500 3500.0000 969.35 1 1.33675715e+00 3.24793912e-02-1.67587774e-05 4.03514137e-09-3.70739036e-13 2 3.00730524e+04 1.60315805e+01-3.97555659e+00 7.41371157e-02-1.11803390e-04 3 9.04629281e-08-2.80999940e-11 3.01769407e+04 3.67153720e+01 4 C5H6 T 1/90C 5H 6 0 0G 200.0000 6000.0000 1000.00 1 9.97578480e+00 1.89055430e-02-6.84114610e-06 1.10993400e-09-6.66802360e-14 2 1.11155737e+04-3.21718674e+01-2.65845225e+00 4.45017452e-02-1.45209633e-05 3 -9.78208986e-09 5.54319573e-12 1.51126795e+04 3.55742623e+01 4 C5H5OH 5/ 2/91 THE.MC 5H 6O 1 0G 300.0000 5000.0000 1398.00 1 1.53433477e+01 1.50754059e-02-5.13553582e-06 7.95807816e-10-4.61311517e-14 2 -1.19559888e+04-5.85099316e+01-4.54195357e+00 6.81999911e-02-6.13704372e-05 3 2.88122547e-08-5.55057061e-12-5.72862693e+03 4.59402528e+01 4 C5H4O T 8/99C 5H 4O 1 0G 200.0000 6000.0000 1000.00 1 1.00806824e+01 1.61143465e-02-5.83314509e-06 9.46759320e-10-5.68972206e-14 2 1.96068219e+03-2.94332639e+01-1.50499353e+00 4.84189229e-02-4.18787299e-05 3 2.24669037e-08-6.25035716e-12 5.26792080e+03 3.06909497e+01 4 C5H5O 5/16/90 THERMC 5H 5O 1 0G 300.0000 5000.0000 1392.00 1 1.48322894e+01 1.40483376e-02-4.92302051e-06 7.77041219e-10-4.56103939e-14 2 1.45597586e+04-5.73137042e+01-3.07221596e+00 5.84528553e-02-4.84753582e-05 3 2.11551270e-08-3.90257526e-12 2.05231327e+04 3.79706453e+01 4 C5H4OH T 8/99C 5H 5O 1 0G 200.0000 6000.0000 1000.00 1 1.33741248e+01 1.51996469e-02-5.45685046e-06 8.80944866e-10-5.27493258e-14 2 2.22621247e+03-4.59317987e+01-3.63505615e+00 6.88681050e-02-7.14537061e-05 3 3.99060057e-08-9.74023162e-12 6.58134751e+03 4.03069475e+01 4 C6H5OO 3/26/ 9 THERMC 6H 5O 2 0G 300.0000 5000.0000 1403.00 1 1.67078262e+01 1.62326229e-02-5.47969630e-06 8.43510060e-10-4.86562431e-14 2 8.15285233e+03-6.08219145e+01-3.32122993e+00 7.27367972e-02-6.88647810e-05 3 3.40934773e-08-6.83748494e-12 1.41647858e+04 4.33920184e+01 4 C6H5OOH 3/26/ 9 THERMC 6H 6O 2 0G 300.0000 5000.0000 1404.00 1 1.92317474e+01 1.63154699e-02-5.53448904e-06 8.55059974e-10-4.94583790e-14 2 -1.01868511e+04-7.61549000e+01-4.35296356e+00 8.19056424e-02-7.74587901e-05 3 3.75764687e-08-7.34680918e-12-3.07772423e+03 4.67782128e+01 4 C6H4OH 4/ 9/ 9 THERMC 6H 5O 1 0G 300.0000 5000.0000 1402.00 1 1.73187560e+01 1.36366984e-02-4.68316332e-06 7.29071204e-10-4.23805358e-14 2 1.15171055e+04-6.89765001e+01-6.57024176e+00 8.99839119e-02-1.00663946e-04 3 5.57988543e-08-1.20129850e-11 1.79189927e+04 5.23819764e+01 4 OC6H4OH 4/ 9/ 9 THERMC 6H 5O 2 0G 300.0000 5000.0000 1403.00 1 2.22718210e+01 1.21038561e-02-4.18429526e-06 6.54475399e-10-3.81746504e-14 2 -2.34597859e+04-9.60754063e+01-8.74619033e+00 1.14568487e-01-1.35406024e-04 3 7.64759474e-08-1.65136178e-11-1.55229312e+04 6.02445786e+01 4 P-OC6H5OJ WKM C 6O 2H 5 0G 300.0000 5000.0000 1400.00 1 1.82799770e+01 1.59280974e-02-5.50765220e-06 8.61649836e-10-5.02677539e-14 2 -5.24173841e+01-7.25684571e+01-3.62062009e+00 7.50481800e-02-6.89560275e-05 3 3.29373323e-08-6.43416394e-12 6.76619128e+03 4.22882794e+01 4 O-OC6H5OJ WKM C 6O 2H 5 0G 300.0000 5000.0000 1400.00 1 1.84625733e+01 1.57607263e-02-5.44671499e-06 8.51765760e-10-4.96759541e-14 2 -1.62376587e+02-7.28614853e+01-2.98582275e+00 7.40827016e-02-6.86186261e-05 3 3.30949070e-08-6.52109494e-12 6.48573950e+03 3.94967073e+01 4 C#CC*CCJ GLAR C 5H 5 0 0G 300.0000 5000.0000 1396.00 1 1.41230912e+01 1.14233190e-02-3.95851276e-06 6.20128961e-10-3.62097887e-14 2 4.25242641e+04-5.02839215e+01-8.87578856e-01 5.25867074e-02-4.93460532e-05 3 2.43485691e-08-4.92203460e-12 4.71801856e+04 2.82965663e+01 4 C5H6-L 2/ 5/ 9 THERMC 5H 6 0 0G 300.0000 5000.0000 1372.00 1 1.29600892e+01 1.48953758e-02-5.23622902e-06 8.27916389e-10-4.86464523e-14 2 2.38278152e+04-4.25191093e+01 3.25035905e+00 3.48501601e-02-2.26372751e-05 3 9.42997034e-09-2.06049224e-12 2.76844960e+04 1.10008518e+01 4 CJ*CC*CC*O 2/ 5/ 9 THERMC 5H 5O 1 0G 300.0000 5000.0000 1396.00 1 1.62360823e+01 1.18297101e-02-4.11454219e-06 6.46026823e-10-3.77767639e-14 2 1.93631613e+04-5.83336812e+01-9.30597764e-01 6.34973984e-02-6.67522709e-05 3 3.60878893e-08-7.75609147e-12 2.43186463e+04 3.00710445e+01 4 C*CC*CCJ*O 2/ 5/ 9 THERMC 5H 5O 1 0G 300.0000 5000.0000 1399.00 1 1.53178248e+01 1.27352911e-02-4.35882964e-06 6.76912763e-10-3.92771371e-14 2 7.61911141e+03-5.43436460e+01-6.42698622e-01 6.22394042e-02-6.59257733e-05 3 3.61285911e-08-7.83640206e-12 1.21022144e+04 2.73697537e+01 4 CJ*CC*O 4/ 8/94 THERMC 3H 3O 1 0G 300.0000 5000.0000 1402.00 1 1.07482537e+01 6.19822688e-03-2.06130981e-06 3.14418872e-10-1.80309517e-14 2 1.51454736e+04-3.01211318e+01 1.32504331e+00 3.33487563e-02-3.28896661e-05 3 1.65314056e-08-3.31441006e-12 1.78990688e+04 1.86765016e+01 4 C5H3O TAK0905C 5H 3O 1 0G 300.0000 3500.0000 1500.00 1 1.19961781e+01 1.34287065e-02-5.90045309e-06 1.22553862e-09-9.86114716e-14 2 2.89592010e+04-4.07548250e+01-3.03242579e+00 5.43937184e-02-4.95018313e-05 3 2.25523724e-08-4.10727852e-12 3.35644081e+04 3.78374812e+01 4 C5H7 1/22/ 9 WKM C 5H 7 0 0G 300.0000 5000.0000 1377.00 1 1.36630213e+01 1.68061358e-02-5.98746539e-06 9.55341072e-10-5.64951981e-14 2 1.27314565e+04-5.46237444e+01-7.00770716e+00 6.24894578e-02-4.44273915e-05 3 1.61754444e-08-2.58406229e-12 2.01619075e+04 5.73403339e+01 4 OC5H7O 1/22/ 9 WKM C 5H 7O 2 0G 300.0000 5000.0000 1375.00 1 1.65416953e+01 1.86677673e-02-6.44836048e-06 1.00787611e-09-5.87521858e-14 2 -2.81938856e+04-5.47161051e+01 4.61797917e+00 4.22521909e-02-2.42424984e-05 3 7.81397610e-09-1.33335643e-12-2.35032880e+04 1.10808710e+01 4 C*CCJC*COH 10/6/95 Z&B C 5H 7O 1 0G 300.0000 5000.0000 1397.00 1 1.67465815e+01 1.58357240e-02-5.44954706e-06 8.49881387e-10-4.94743246e-14 2 -4.30001868e+03-6.19259352e+01-3.22367230e+00 6.91650133e-02-6.23160985e-05 3 2.95839538e-08-5.79672516e-12 1.99538788e+03 4.30489037e+01 4 C*CC*CCJ Z&B C 5H 7 0 0G 300.0000 5000.0000 1386.00 1 1.47302883e+01 1.59030900e-02-5.57729508e-06 8.80604825e-10-5.16963733e-14 2 1.74142877e+04-5.42556855e+01-1.90604116e+00 5.60637843e-02-4.47146046e-05 3 1.96307917e-08-3.78213462e-12 2.31502162e+04 3.48238007e+01 4 C*CC*CC 3/1/95 Z&B C 5H 8 0 0G 300.0000 5000.0000 1395.00 1 1.41303131e+01 1.81877961e-02-6.19208788e-06 9.58333792e-10-5.54785472e-14 2 2.26881851e+03-5.11585741e+01-1.50760037e+00 5.87909715e-02-4.91411430e-05 3 2.29818088e-08-4.60017243e-12 7.39199991e+03 3.15922428e+01 4 C*CC*CCOH 1/23/ 9 WKM C 5H 8O 1 0G 300.0000 5000.0000 1396.00 1 1.63079670e+01 1.79957763e-02-6.03115896e-06 9.23992259e-10-5.31254053e-14 2 -1.58120031e+04-5.84033248e+01-8.03585198e-01 6.26431133e-02-5.26504683e-05 3 2.41428780e-08-4.66931391e-12-1.03031161e+04 3.19331503e+01 4 OC4H6O 1/23/ 9 WKM C 4H 6O 2 0G 300.0000 5000.0000 1382.00 1 1.41894774e+01 1.53345510e-02-5.24594862e-06 8.14655154e-10-4.72759368e-14 2 -4.09939978e+04-4.43695159e+01 4.00924829e+00 3.72278991e-02-2.38818503e-05 3 8.82271997e-09-1.58809894e-12-3.71850884e+04 1.11459684e+01 4 OC4H5O 1/23/ 9 WKM C 4H 5O 2 0G 300.0000 5000.0000 1388.00 1 1.32138775e+01 1.37339051e-02-4.62639517e-06 7.10941370e-10-4.09538499e-14 2 -2.16478010e+04-3.64114611e+01 4.41744753e+00 3.43969644e-02-2.44384099e-05 3 1.02403980e-08-1.98012031e-12-1.85274387e+04 1.09454685e+01 4 HOC*CC*O 1/26/ 9 WKM C 3H 4O 2 0G 300.0000 5000.0000 1413.00 1 1.66505478e+01 6.11745137e-03-2.09080785e-06 3.24985683e-10-1.88875073e-14 2 -3.82093058e+04-6.36688688e+01-2.28582431e+00 6.45565856e-02-7.17069940e-05 3 3.79014923e-08-7.70865902e-12-3.31101193e+04 3.29348733e+01 4 HOC*CCJ*O 1/26/ 9 WKM C 3H 3O 2 0G 300.0000 5000.0000 1414.00 1 1.52720985e+01 5.02586331e-03-1.68408578e-06 2.58390706e-10-1.48849424e-14 2 -1.98439838e+04-5.54560022e+01 4.01833255e-01 5.10621311e-02-5.65850224e-05 3 2.98757649e-08-6.06577501e-12-1.58609948e+04 2.03409765e+01 4 C2H2OH H 3C 2O 1 0G 300.0000 5000.0000 1000.00 1 6.81339897e+00 8.05827723e-03-3.11728612e-06 5.54590896e-10-3.71804255e-14 2 1.31593441e+04-1.09835620e+01-9.73594704e-02 3.18250239e-02-3.78172907e-05 3 2.62973938e-08-7.93596699e-12 1.48974540e+04 2.37312841e+01 4 O2CCHOOJ Z&B C 2H 1O 4 0G 300.0000 5000.0000 1682.00 1 1.09910849e+01 7.46985861e-03-2.75568271e-06 4.51353051e-10-2.72108652e-14 2 -3.51421847e+04-2.11747278e+01 9.05929356e+00 7.64442785e-03 2.50877164e-06 3 -4.36967920e-09 1.18290164e-12-3.41017479e+04-9.34072674e+00 4 HCOH MAR94 C 1H 2O 1 0G 300.0000 5000.0000 1398.00 1 9.18749272e+00 1.52011152e-03-6.27603516e-07 1.09727989e-10-6.89655128e-15 2 7.81835590e+03-2.73376397e+01-2.97192565e+00 3.68071001e-02-4.05690782e-05 3 2.08865449e-08-4.16367161e-12 1.13106001e+04 3.54771195e+01 4 C2H3OH 2/ 3/ 9 THERMC 2H 4O 1 0G 300.0000 5000.0000 1410.00 1 8.32598158e+00 8.03387281e-03-2.63928405e-06 3.98410726e-10-2.26551155e-14 2 -1.83161317e+04-2.02006842e+01-3.14296404e-01 3.51771425e-02-3.61158847e-05 3 1.92534138e-08-4.05338894e-12-1.59729097e+04 2.38230207e+01 4 O2CH2CHO BOZ_03C 2H 3O 3 0G 300.0000 5000.0000 1393.00 1 1.11807543e+01 9.14479256e-03-3.15089833e-06 4.91944238e-10-2.86639180e-14 2 -1.55697318e+04-2.87778311e+01-1.59552402e+00 4.66456488e-02-4.76438879e-05 3 2.53016598e-08-5.39014892e-12-1.17977075e+04 3.73349169e+01 4 HO2CH2CO BOZ_03C 2H 3O 3 0G 300.0000 5000.0000 1386.00 1 1.04146322e+01 1.12680116e-02-5.17494839e-06 1.00333285e-09-6.68165911e-14 2 -1.40939718e+04-2.27874683e+01 2.17401193e+00 3.60566135e-02-3.35199155e-05 3 1.55733253e-08-2.90090478e-12-1.18682765e+04 1.93786566e+01 4 C6H5CH2OO 3/ 4/94 THE.MC 7H 7O 2 0G 300.0000 5000.0000 1389.00 1 2.18946260e+01 2.02701494e-02-7.14525361e-06 1.13208570e-09-6.66220534e-14 2 3.94561210e+03-8.95526218e+01-4.20096306e+00 8.59728149e-02-7.34490131e-05 3 3.33885801e-08-6.42992658e-12 1.26021994e+04 4.90910909e+01 4 BZCOOH 3/ 4/94 THE.MC 7H 8O 2 0G 300.0000 5000.0000 1390.00 1 2.21951256e+01 2.19901041e-02-7.70452728e-06 1.21574282e-09-7.13427270e-14 2 -1.43831268e+04-9.07316814e+01-3.83684699e+00 8.76926551e-02-7.43991449e-05 3 3.39343057e-08-6.58177106e-12-5.74350208e+03 4.75530398e+01 4 C6H5CH2O 4/14/94 THE.MC 7H 7O 1 0G 300.0000 5000.0000 1392.00 1 1.78843033e+01 2.09011735e-02-7.21832713e-06 1.12839851e-09-6.57955260e-14 2 4.94154120e+03-7.01185032e+01-5.09309828e+00 7.73640134e-02-6.20902397e-05 3 2.66239957e-08-4.87676556e-12 1.26547677e+04 5.23620022e+01 4 C6H5CH2OH 3/ 8/90 C 7H 8O 1 0G 300.0000 5000.0000 1396.00 1 1.81575155e+01 2.26620146e-02-7.79454113e-06 1.21491074e-09-7.06883434e-14 2 -2.13226717e+04-7.19398340e+01-4.02451484e+00 7.63799862e-02-5.91066057e-05 3 2.46487267e-08-4.43187671e-12-1.37927398e+04 4.65868584e+01 4 C6H5CHO 5/16/90 THERMC 7H 6O 1 0G 300.0000 5000.0000 1386.00 1 1.74024893e+01 1.89508317e-02-6.58694307e-06 1.03413046e-09-6.04793155e-14 2 -1.31347906e+04-6.83284161e+01-2.60363696e+00 6.45528434e-02-4.65238336e-05 3 1.75030682e-08-2.85928089e-12-6.09348865e+03 3.95202287e+01 4 C6H5CO THERM C 7H 5O 1 0G 300.0000 5000.0000 1392.00 1 1.75116258e+01 1.62650511e-02-5.65051892e-06 8.86922680e-10-5.18657990e-14 2 4.68193821e+03-6.70463891e+01-1.74719850e+00 6.12690213e-02-4.58997068e-05 3 1.75994578e-08-2.84177277e-12 1.13052306e+04 3.63005892e+01 4 CH2CHCHCO 12/27/94 THERMC 4H 4O 1 0G 300.0000 5000.0000 1401.00 1 1.32918890e+01 9.42783712e-03-3.23329764e-06 5.02853718e-10-2.92089737e-14 2 -4.64440033e+03-4.47924915e+01-5.05922356e-01 5.23548504e-02-5.62999829e-05 3 3.07178331e-08-6.58877031e-12-8.20296479e+02 2.57326943e+01 4 C6H5C2H3 HW /94C 8H 8 0 0G 300.0000 3000.0000 1000.00 1 1.13032130e+01 3.37098870e-02-1.32088850e-05 2.11409620e-09-8.73113770e-14 2 1.17405409e+04-3.47150622e+01-5.73872349e+00 8.32385679e-02-6.82105602e-05 3 3.16991498e-08-7.15743421e-12 1.63697898e+04 5.28844674e+01 4 C6H5C2H HW /94C 8H 6 0 0G 300.0000 3000.0000 1000.00 1 2.40907590e+01 7.82324000e-04 1.14539640e-05-6.16205040e-09 9.33466850e-13 2 2.74502567e+04-1.04964606e+02-7.84693731e+00 1.05617183e-01-1.35923838e-04 3 1.01839762e-07-3.25877063e-11 3.58002391e+04 5.68869157e+01 4 C14H14 3/19/ 9 THERMC 14H 14 0 0G 300.0000 5000.0000 1397.00 1 3.45703166e+01 3.81757891e-02-1.30119616e-05 2.01694176e-09-1.16936941e-13 2 -9.99199984e+01-1.59721895e+02-1.19686450e+01 1.58133545e-01-1.35023601e-04 3 6.05743972e-08-1.12947821e-11 1.48808509e+04 8.62221284e+01 4 C14H13 3/19/ 9 THERMC 14H 13 0 0G 300.0000 5000.0000 1396.00 1 3.47417341e+01 3.59337719e-02-1.22450631e-05 1.89794621e-09-1.10038037e-13 2 1.74970708e+04-1.61399242e+02-9.85383062e+00 1.51048732e-01-1.29505416e-04 3 5.82537099e-08-1.08803987e-11 3.18333784e+04 7.42124933e+01 4 C14H13OOH 3/19/ 9 THERMC 14H 14O 2 0G 300.0000 5000.0000 1395.00 1 4.01427062e+01 3.93395367e-02-1.37664348e-05 2.17056135e-09-1.27304368e-13 2 -1.39012963e+04-1.84871713e+02-1.12810662e+01 1.74821856e-01-1.57043585e-04 3 7.44964406e-08-1.46761214e-11 2.55777685e+03 8.62087673e+01 4 C14H13OO 3/19/ 9 THERMC 14H 13O 2 0G 300.0000 5000.0000 1394.00 1 3.76701265e+01 3.91886728e-02-1.36838688e-05 2.15430957e-09-1.26216113e-13 2 4.41451302e+03-1.69839365e+02-1.04102888e+01 1.66332528e-01-1.49428987e-04 3 7.16207643e-08-1.43069958e-11 1.98255955e+04 8.35754922e+01 4 C14H12 3/19/ 9 THERMC 14H 12 0 0G 300.0000 5000.0000 1397.00 1 3.32102692e+01 3.56298722e-02-1.23336159e-05 1.93073037e-09-1.12678018e-13 2 1.27361052e+04-1.53386372e+02-1.00018794e+01 1.49291321e-01-1.31969567e-04 3 6.18848060e-08-1.20716211e-11 2.65556284e+04 7.44168408e+01 4 C14H12OOH 3/19/ 9 THERMC 14H 13O 2 0G 300.0000 5000.0000 1394.00 1 4.02968908e+01 3.71210431e-02-1.30088643e-05 2.05309245e-09-1.20495552e-13 2 3.70486044e+03-1.86447546e+02-9.15897626e+00 1.67724216e-01-1.51530281e-04 3 7.21932378e-08-1.42686436e-11 1.95087177e+04 7.41615809e+01 4 C14H11 3/19/ 9 THERMC 14H 11 0 0G 300.0000 5000.0000 1395.00 1 3.27609182e+01 3.39480669e-02-1.17667240e-05 1.84362057e-09-1.07661574e-13 2 2.93107790e+04-1.51859538e+02-7.32884547e+00 1.37229301e-01-1.18122561e-04 3 5.41768685e-08-1.04286616e-11 4.23418885e+04 6.02396333e+01 4 C14H10 3/19/ 9 THERMC 14H 10 0 0G 300.0000 5000.0000 1387.00 1 3.35905687e+01 3.03999884e-02-1.05869652e-05 1.66527782e-09-9.75498585e-14 2 3.04809665e+04-1.56177068e+02-9.10745788e+00 1.33881749e-01-1.07803116e-04 3 4.44823228e-08-7.67873003e-12 4.47996372e+04 7.16521520e+01 4 C14H12O2H-1O2 9/ 9 THERMC 14H 13O 4 0G 300.0000 5000.0000 1391.00 1 4.48785960e+01 3.75685709e-02-1.32824040e-05 2.10858085e-09-1.24255944e-13 2 -9.94201598e+03-2.04004333e+02-1.03923221e+01 1.84933673e-01-1.71622952e-04 3 8.34297335e-08-1.67420630e-11 7.62236278e+03 8.68313575e+01 4 C14H11O-1O2H 19/ 9 THERMC 14H 12O 3 0G 300.0000 5000.0000 1393.00 1 4.03057402e+01 3.72594407e-02-1.30902950e-05 2.06942373e-09-1.21596482e-13 2 -2.77796590e+04-1.82369610e+02-8.54855530e+00 1.62859742e-01-1.42338041e-04 3 6.57497586e-08-1.27204790e-11-1.18599680e+04 7.62180763e+01 4 C14H13O 3/19/ 9 THERMC 14H 13O 1 0G 300.0000 5000.0000 1397.00 1 3.62205336e+01 3.75634484e-02-1.29678295e-05 2.02688785e-09-1.18180078e-13 2 5.76659883e+03-1.65565436e+02-1.25827136e+01 1.64603364e-01-1.44076061e-04 3 6.60427529e-08-1.25453223e-11 2.13987505e+04 9.19884248e+01 4 C6H5C2H5 3/19/ 9 THERMC 8H 10 0 0G 300.0000 5000.0000 1396.00 1 2.02158866e+01 2.57181400e-02-8.78778587e-06 1.36387819e-09-7.91252430e-14 2 -6.86440595e+03-8.53046145e+01-6.07511163e+00 9.17326601e-02-7.46201794e-05 3 3.27125819e-08-6.09712828e-12 1.82941554e+03 5.43548515e+01 4 C6H5CHCH3 4/ 3/ 9 THERMC 8H 9 0 0G 300.0000 5000.0000 1395.00 1 2.03767475e+01 2.34923061e-02-8.02742753e-06 1.24595589e-09-7.22895395e-14 2 1.07395722e+04-8.69175422e+01-3.97196878e+00 8.47315149e-02-6.92416143e-05 3 3.04783975e-08-5.70023227e-12 1.87827747e+04 4.23922451e+01 4 C6H5CCH2 4/ 3/ 9 THERMC 8H 7 0 0G 300.0000 5000.0000 1387.00 1 1.92154972e+01 2.02185937e-02-7.07970746e-06 1.11666465e-09-6.55073301e-14 2 2.44683304e+04-8.09479242e+01-2.13575345e+00 7.20928761e-02-5.78214136e-05 3 2.53971214e-08-4.86700847e-12 3.17808025e+04 3.32311045e+01 4 C6H5CHCH 4/ 3/ 9 THERMC 8H 7 0 0G 300.0000 5000.0000 1397.00 1 1.90927875e+01 1.98909822e-02-6.86981799e-06 1.07370754e-09-6.25902921e-14 2 3.82784704e+04-7.71848380e+01-4.04031713e+00 8.13933518e-02-7.25889302e-05 3 3.45581866e-08-6.84159029e-12 4.56369000e+04 4.45814623e+01 4 C6H4CH3 4/ 3/ 9 C 7H 7 0 0G 300.0000 5000.0000 1392.00 1 1.51868807e+01 2.07534924e-02-7.18581880e-06 1.12478745e-09-6.56301043e-14 2 2.87505071e+04-5.74130063e+01-3.20810348e+00 6.59884568e-02-5.24466596e-05 3 2.33992569e-08-4.58045893e-12 3.50357675e+04 4.08334443e+01 4 HOC6H4CH3 4/ 3/ 9 THERMC 7H 8O 1 0G 300.0000 5000.0000 1401.00 1 2.09408940e+01 2.04158480e-02-7.04323518e-06 1.09988219e-09-6.40750543e-14 2 -2.53493338e+04-8.94406945e+01-6.36516582e+00 9.90776721e-02-9.78566114e-05 3 5.02313198e-08-1.03834595e-11-1.72312770e+04 5.22130189e+01 4 OC6H4CH3 4/ 3/ 9 THERMC 7H 7O 1 0G 300.0000 5000.0000 1397.00 1 2.01201234e+01 1.92615275e-02-6.70631566e-06 1.05375828e-09-6.16537629e-14 2 -6.23846055e+03-8.37488633e+01-5.36206128e+00 9.00814346e-02-8.60643208e-05 3 4.31877797e-08-8.84440072e-12 1.60084105e+03 4.93692204e+01 4 HOC6H4CH2 4/ 3/ 9 C 7H 7O 1 0G 300.0000 5000.0000 1402.00 1 2.17284618e+01 1.76293589e-02-6.08300560e-06 9.50072743e-10-5.53543698e-14 2 -6.67745063e+03-9.33189753e+01-6.22216230e+00 1.02307735e-01-1.07988248e-04 3 5.76513091e-08-1.21474627e-11 1.22892804e+03 5.02296464e+01 4 HOC6H4CH2OOH 7/ 9 THERMC 7H 8O 3 0G 300.0000 5000.0000 1400.00 1 2.69433208e+01 1.98821379e-02-6.93248136e-06 1.09047819e-09-6.38542299e-14 2 -3.68018375e+04-1.15433202e+02-4.83880817e+00 1.10757385e-01-1.10546134e-04 3 5.63448495e-08-1.15118064e-11-2.73449765e+04 4.95750862e+01 4 HOC6H4CH2OO 7/ 9 THERMC 7H 7O 3 0G 300.0000 5000.0000 1399.00 1 2.44885871e+01 1.96975788e-02-6.83424042e-06 1.07136180e-09-6.25824039e-14 2 -1.84842391e+04-1.00481645e+02-3.88053188e+00 1.01965570e-01-1.02486879e-04 3 5.31583327e-08-1.10615287e-11-1.00931564e+04 4.65162770e+01 4 HOC6H4CH2O 4/ 7/ 9 THERMC 7H 7O 2 0G 300.0000 5000.0000 1404.00 1 2.27674826e+01 1.87580416e-02-6.44936609e-06 1.00501306e-09-5.84671446e-14 2 -1.70135074e+04-9.47982049e+01-5.45126328e+00 1.00369973e-01-1.00077410e-04 3 5.09574483e-08-1.03657757e-11-8.73578828e+03 5.13329009e+01 4 HOC6H4CHO 4/ 7/ 9 THERMC 7H 6O 2 0G 300.0000 5000.0000 1406.00 1 2.37586619e+01 1.47270064e-02-4.93265699e-06 7.56306242e-10-4.35377695e-14 2 -3.62338340e+04-1.01171596e+02-5.24976238e+00 1.00284874e-01-1.03555973e-04 3 5.29521808e-08-1.06371752e-11-2.79951835e+04 4.82741670e+01 4 HOC6H4CO 4/ 7/ 9 THERMC 7H 5O 2 0G 300.0000 5000.0000 1407.00 1 2.36196074e+01 1.29565163e-02-4.36676042e-06 6.72106801e-10-3.87861042e-14 2 -1.85165942e+04-1.01104835e+02-3.04146837e+00 9.28634500e-02-9.78562779e-05 3 5.07588776e-08-1.02968727e-11-1.10573817e+04 3.58232510e+01 4 C6H5CHOH 4/ 7/ 9 THERMC 7H 7O 1 0G 300.0000 5000.0000 1387.00 1 1.78569190e+01 2.09573785e-02-7.24304900e-06 1.13265871e-09-6.60549919e-14 2 -4.16850484e+03-7.06535615e+01-1.08092753e+00 6.31467353e-02-4.33012220e-05 3 1.57251469e-08-2.53785673e-12 2.62427971e+03 3.18350714e+01 4 C6H5CH2CH2 4/ 7/ 9 C 8H 9 0 0G 300.0000 5000.0000 1397.00 1 1.97367479e+01 2.34359910e-02-7.88460514e-06 1.21151657e-09-6.98141943e-14 2 1.82871249e+04-7.90255836e+01-5.34524484e+00 8.71333540e-02-7.15760141e-05 3 3.12782139e-08-5.73469537e-12 2.64522698e+04 5.38548970e+01 4 C5H5CH3 12/15/94 THERMC 6H 8 0 G 300.0000 5000.0000 1399.00 1 1.58460057e+01 2.00902785e-02-6.93497016e-06 1.08339840e-09-6.31318908e-14 2 3.44019645e+03-6.44258001e+01-6.43403224e+00 7.91007677e-02-6.97643334e-05 3 3.30003267e-08-6.51074508e-12 1.05522387e+04 5.29328922e+01 4 A1C4H5 C 10H 100 00 G 300.0000 5000.0000 1000.00 1 2.24585300e+01 2.98982400e-02-1.02424500e-05 1.64272900e-09-1.01594100e-13 2 4.63229625e+03-1.10159624e+02-5.06724432e+00 1.06557047e-01-9.77407022e-05 3 5.67659089e-08-1.68595547e-11 1.25655482e+04 3.28871043e+01 4 NAPH 2/ 7/95 THERMC 10H 8 0 G 300.0000 5000.0000 1400.00 1 2.35897511e+01 2.43823788e-02-8.47570474e-06 1.33051182e-09-7.77992813e-14 2 6.55017397e+03-1.12114401e+02-9.34970636e+00 1.12958722e-01-1.03472339e-04 3 4.94806558e-08-9.70868608e-12 1.68668988e+04 6.08045161e+01 4 NAPH* G3B3 H 7C 10O 0N 0G 300.0000 3000.0000 1000.00 1 3.29950506e+00 6.30133365e-02-3.79760083e-05 1.08180756e-08-1.18007697e-12 2 4.76658373e+04 5.41215687e+00-8.00768965e+00 1.03041302e-01-8.38191359e-05 3 2.76492119e-08-8.88856880e-13 4.99740635e+04 6.07299049e+01 4 NAPH- G3B3 H 7C 10O 0N 0G 300.0000 3000.0000 1000.00 1 3.22892303e+00 6.31264486e-02-3.80582381e-05 1.08454069e-08-1.18342512e-12 2 4.78400840e+04 5.82016705e+00-8.02717962e+00 1.02924512e-01-8.34271855e-05 3 2.72135212e-08-7.24553115e-13 5.01363343e+04 6.08902235e+01 4 C9H7 INDENYL G3B3 H 7C 9O 0N 0G 300.0000 3000.0000 1000.00 1 3.65597547e+00 5.74808463e-02-3.42870600e-05 9.70278793e-09-1.05386412e-12 2 3.06843459e+04 2.57680248e+00-8.73685110e+00 1.03421614e-01-9.23422805e-05 3 3.75622315e-08-4.40602850e-12 3.31641006e+04 6.28218179e+01 4 C9H6O INDENONE G3B3 H 6C 9O 1N 0G 300.0000 3000.0000 1000.00 1 4.65659248e+00 5.70055822e-02-3.43174199e-05 9.76177442e-09-1.06334037e-12 2 4.57857137e+03-7.03868526e-01-6.53928861e+00 9.69323351e-02-8.17698832e-05 3 2.96699665e-08-2.24994101e-12 6.88883586e+03 5.40946030e+01 4 FULVENE e T12/10C 6.H 6. 0. 0.G 200.0000 6000.0000 1000.00 1 1.14345282e+01 1.99371432e-02-7.13567060e-06 1.14951842e-09-6.87263886e-14 2 2.04720814e+04-3.86456319e+01-2.70397055e+00 5.29365079e-02-2.84510046e-05 3 1.33608748e-09 2.19917266e-12 2.47157871e+04 3.60487954e+01 4 C3H2(S) 101993H 2C 3 G 300.0000 4000.0000 1400.00 1 8.35131100e+00 2.67227700e-03-2.12940400e-07-1.47821810e-10 2.58368900e-14 2 6.80068972e+04-1.95088326e+01 4.74948057e+00 8.52019080e-03-1.16018505e-06 3 -2.49502195e-09 9.92118602e-13 6.93997894e+04 5.43755772e-01 4 FLUORENE C 13H 10 G 300.0000 5000.0000 1000.00 1 2.31612871e+01 3.92128530e-02-1.25431510e-05 1.33503890e-09 0.00000000e+00 2 1.23102891e+04-1.03717257e+02-1.12092750e+01 1.29847759e-01-9.07012238e-05 3 2.32287139e-08 5.35755671e-17 2.19426595e+04 7.48523998e+01 4 C16H10 C 16H 10 G 300.0000 5000.0000 1000.00 1 2.90747022e+01 4.12337670e-02-1.26077060e-05 1.27453580e-09 0.00000000e+00 2 1.41687239e+04-1.36431347e+02-1.06811327e+01 1.46535504e-01-1.03943813e-04 3 2.70648775e-08-1.37228654e-16 2.52715012e+04 6.99618018e+01 4 BIN1A C 20H 16 G 300.0000 5000.0000 1000.00 1 2.28710599e+01 7.94839410e-02-4.21619700e-05 1.06691760e-08-1.04891690e-12 2 5.55183102e+04-1.00151167e+02-1.55584580e+01 2.14603264e-01-2.28462228e-04 3 1.31629793e-07-3.23990818e-11 6.45181310e+04 9.08586796e+01 4 CYCLO4 2/24/12 THERMC 9H 10O 1 0G 300.0000 5000.0000 1397.00 1 2.37726733e+01 2.89480407e-02-1.00625132e-05 1.57951207e-09-9.23531341e-14 2 -8.36197412e+03-1.05240677e+02-9.02247552e+00 1.10535449e-01-9.04473600e-05 3 3.93609932e-08-7.26263690e-12 2.54828034e+03 6.92184994e+01 4 CYC3AB 2/24/12 THERMC 9H 10O 1 0G 300.0000 5000.0000 1401.00 1 2.45093593e+01 2.76102019e-02-9.53577921e-06 1.49036586e-09-8.68780051e-14 2 -9.48524691e+03-1.06940650e+02-7.98285641e+00 1.12708911e-01-9.83253447e-05 3 4.54382113e-08-8.73205760e-12 9.11635800e+02 6.44211366e+01 4 CYC3CB 2/24/12 THERMC 9H 10O 1 0G 300.0000 5000.0000 1400.00 1 2.51843400e+01 2.72247476e-02-9.44515572e-06 1.48069215e-09-8.64976604e-14 2 -1.13513242e+04-1.12074695e+02-9.24291295e+00 1.18560844e-01-1.06124478e-04 3 4.99793616e-08-9.72627271e-12-4.42308745e+02 6.90972824e+01 4 PBZROO 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1391.00 1 2.70881043e+01 3.01154190e-02-1.04993048e-05 1.65111529e-09-9.66567337e-14 2 -6.98094425e+03-1.14979288e+02-4.99257268e+00 1.12995039e-01-9.78375753e-05 3 4.64023607e-08-9.35474121e-12 3.57472247e+03 5.49394620e+01 4 PBOOHAOOR 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1397.00 1 3.17911704e+01 2.99725600e-02-1.03622607e-05 1.62055740e-09-9.45058111e-14 2 -1.99009036e+04-1.32046662e+02-8.74019430e-01 1.14590517e-01-9.83804334e-05 3 4.54810017e-08-8.85061040e-12-9.29303142e+03 4.06717509e+01 4 PBOOHBOOR 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1397.00 1 3.17911704e+01 2.99725600e-02-1.03622607e-05 1.62055740e-09-9.45058111e-14 2 -1.99009036e+04-1.32046662e+02-8.74019430e-01 1.14590517e-01-9.83804334e-05 3 4.54810017e-08-8.85061040e-12-9.29303142e+03 4.06717509e+01 4 PBO 2/ 2/12 THERMC 9H 10O 1 0G 300.0000 5000.0000 1388.00 1 2.36210601e+01 2.82169638e-02-9.80624365e-06 1.53894142e-09-8.99632231e-14 2 -2.40647874e+04-9.93324342e+01-3.17171105e+00 9.29756101e-02-7.30220415e-05 3 3.18645987e-08-6.12415271e-12-1.48310993e+04 4.41072378e+01 4 PBOJ 2/ 2/12 THERMC 9H 11O 1 0G 300.0000 5000.0000 1394.00 1 2.61696989e+01 2.76087733e-02-9.39211027e-06 1.45417431e-09-8.42488163e-14 2 -5.37045713e+03-1.12895875e+02-7.07517576e+00 1.13034366e-01-9.61902927e-05 3 4.31942111e-08-8.09168874e-12 5.37274548e+03 6.29160745e+01 4 C6H5CH2OOH 1/12 C 7H 8O 2 0G 300.0000 5000.0000 1387.00 1 2.23506090e+01 2.20223032e-02-7.75311629e-06 1.22732064e-09-7.21812556e-14 2 -1.41944951e+04-9.22506077e+01-2.87226168e+00 8.26358517e-02-6.57723839e-05 3 2.81773327e-08-5.24453479e-12-5.53462756e+03 4.27867681e+01 4 PBZCOO 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1391.00 1 2.70881043e+01 3.01154190e-02-1.04993048e-05 1.65111529e-09-9.66567337e-14 2 -6.98094425e+03-1.14979288e+02-4.99257268e+00 1.12995039e-01-9.78375753e-05 3 4.64023607e-08-9.35474121e-12 3.57472247e+03 5.49394620e+01 4 PBOOHC-B 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1390.00 1 2.87563540e+01 2.81224913e-02-9.78337876e-06 1.53680000e-09-8.99094032e-14 2 -1.09282408e+03-1.21612895e+02-4.97796996e+00 1.13020721e-01-9.50357547e-05 3 4.26237561e-08-8.10006906e-12 1.00686684e+04 5.75681163e+01 4 PBOOHC-A 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1392.00 1 2.91409134e+01 2.81242141e-02-9.85392586e-06 1.55488258e-09-9.12416112e-14 2 1.64823488e+02-1.23535182e+02-5.17282001e+00 1.17108700e-01-1.03039801e-04 3 4.85592659e-08-9.61871779e-12 1.13384677e+04 5.79420316e+01 4 PBZBOO 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1395.00 1 2.61985495e+01 3.03972000e-02-1.04905146e-05 1.63861317e-09-9.54755955e-14 2 -7.36745623e+03-1.09550509e+02-3.47320749e+00 1.04899906e-01-8.57327174e-05 3 3.83791146e-08-7.37718456e-12 2.52886424e+03 4.82200608e+01 4 PBOOHB-C 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1393.00 1 2.92702523e+01 2.78205937e-02-9.70565280e-06 1.52715177e-09-8.94397508e-14 2 -7.91115328e+03-1.28106137e+02-2.18183008e+00 1.05844972e-01-8.68291424e-05 3 3.81720584e-08-7.16304013e-12 2.61509135e+03 3.93624041e+01 4 PBOOHB-A 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1397.00 1 2.82009481e+01 2.85053616e-02-9.89144729e-06 1.55082497e-09-9.06001651e-14 2 -2.10108997e+02-1.18936686e+02-3.56522244e+00 1.08629779e-01-9.04236536e-05 3 4.02825193e-08-7.59911597e-12 1.02793259e+04 4.97166469e+01 4 PBZAOO 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1395.00 1 2.60100310e+01 3.05269833e-02-1.05277313e-05 1.64356861e-09-9.57274565e-14 2 -5.52222512e+03-1.07102523e+02-2.42294487e+00 1.01420122e-01-8.17842610e-05 3 3.64090767e-08-7.00725818e-12 4.03021759e+03 4.42924110e+01 4 PBOOHA-C 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1393.00 1 2.91040521e+01 2.79063105e-02-9.72230086e-06 1.52835255e-09-8.94514518e-14 2 -6.07175930e+03-1.25778046e+02-1.19785056e+00 1.02645339e-01-8.32646457e-05 3 3.64088424e-08-6.83198425e-12 4.12675669e+03 3.57441958e+01 4 PBOOHA-B 2/ 1/12 C 9H 11O 2 0G 300.0000 5000.0000 1390.00 1 2.84279465e+01 2.72337866e-02-9.23504153e-06 1.42727744e-09-8.26017630e-14 2 9.78342669e+01-1.17881347e+02-2.43132978e+00 1.00961345e-01-7.70669756e-05 3 3.05115773e-08-5.08481060e-12 1.05394762e+04 4.71286665e+01 4 PBOOHBOOA 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1397.00 1 3.17911704e+01 2.99725600e-02-1.03622607e-05 1.62055740e-09-9.45058111e-14 2 -1.99009036e+04-1.32046662e+02-8.74019430e-01 1.14590517e-01-9.83804334e-05 3 4.54810017e-08-8.85061040e-12-9.29303142e+03 4.06717509e+01 4 PBOOHAOOB 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1397.00 1 3.17911704e+01 2.99725600e-02-1.03622607e-05 1.62055740e-09-9.45058111e-14 2 -1.99009036e+04-1.32046662e+02-8.74019430e-01 1.14590517e-01-9.83804334e-05 3 4.54810017e-08-8.85061040e-12-9.29303142e+03 4.06717509e+01 4 PBOOHCOOB 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1392.00 1 3.26114971e+01 2.98421667e-02-1.04450319e-05 1.64697489e-09-9.65961733e-14 2 -1.95814115e+04-1.38258064e+02-3.11159053e+00 1.23724009e-01-1.10603187e-04 3 5.31767177e-08-1.07170841e-11-8.02722823e+03 5.03159012e+01 4 PBOOHBOOC 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1392.00 1 3.26114971e+01 2.98421667e-02-1.04450319e-05 1.64697489e-09-9.65961733e-14 2 -1.95814115e+04-1.38258064e+02-3.11159053e+00 1.23724009e-01-1.10603187e-04 3 5.31767177e-08-1.07170841e-11-8.02722823e+03 5.03159012e+01 4 PBOOHCOOA 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1392.00 1 3.26114971e+01 2.98421667e-02-1.04450319e-05 1.64697489e-09-9.65961733e-14 2 -1.95814115e+04-1.37160932e+02-3.11159053e+00 1.23724009e-01-1.10603187e-04 3 5.31767177e-08-1.07170841e-11-8.02722823e+03 5.14130326e+01 4 PBOOHAOOC 2/ 1/12 C 9H 11O 4 0G 300.0000 5000.0000 1392.00 1 3.54467808e+01 2.76200740e-02-9.72222953e-06 1.53890595e-09-9.05024965e-14 2 -1.99789210e+04-1.54293665e+02-1.36402286e+00 1.22881260e-01-1.08737849e-04 3 5.09045855e-08-9.96767908e-12-8.01990558e+03 4.03747176e+01 4 PBENOOH 2/ 1/12 C 9H 10O 2 0G 300.0000 5000.0000 1395.00 1 2.74653127e+01 2.70162692e-02-9.37831272e-06 1.47065698e-09-8.59253330e-14 2 -9.51757190e+03-1.16505449e+02-2.50703457e+00 1.04913824e-01-9.10461860e-05 3 4.26329830e-08-8.40662125e-12 2.20833441e+02 4.19403814e+01 4 PBKETBA 1/26/12 THERMC 9H 10O 3 0G 300.0000 5000.0000 1395.00 1 3.11091786e+01 2.64910219e-02-9.30079088e-06 1.46974586e-09-8.63374688e-14 2 -3.63810283e+04-1.34357647e+02-6.09392714e+00 1.24090605e-01-1.11510915e-04 3 5.23648109e-08-1.01760662e-11-2.44827024e+04 6.18147762e+01 4 PBKETBC 1/26/12 THERMC 9H 10O 3 0G 300.0000 5000.0000 1395.00 1 3.11091786e+01 2.64910219e-02-9.30079088e-06 1.46974586e-09-8.63374688e-14 2 -3.63810283e+04-1.34357647e+02-6.09392714e+00 1.24090605e-01-1.11510915e-04 3 5.23648109e-08-1.01760662e-11-2.44827024e+04 6.18147762e+01 4 PBKETAB 1/26/12 THERMC 9H 10O 3 0G 300.0000 5000.0000 1395.00 1 3.11091786e+01 2.64910219e-02-9.30079088e-06 1.46974586e-09-8.63374688e-14 2 -3.63810283e+04-1.34357647e+02-6.09392714e+00 1.24090605e-01-1.11510915e-04 3 5.23648109e-08-1.01760662e-11-2.44827024e+04 6.18147762e+01 4 PBKETAC 1/26/12 THERMC 9H 10O 3 0G 300.0000 5000.0000 1395.00 1 3.11091786e+01 2.64910219e-02-9.30079088e-06 1.46974586e-09-8.63374688e-14 2 -3.63810283e+04-1.34357647e+02-6.09392714e+00 1.24090605e-01-1.11510915e-04 3 5.23648109e-08-1.01760662e-11-2.44827024e+04 6.18147762e+01 4 PBKETCB 1/26/12 THERMC 9H 10O 3 0G 300.0000 5000.0000 1395.00 1 3.11091786e+01 2.64910219e-02-9.30079088e-06 1.46974586e-09-8.63374688e-14 2 -3.63810283e+04-1.34357647e+02-6.09392714e+00 1.24090605e-01-1.11510915e-04 3 5.23648109e-08-1.01760662e-11-2.44827024e+04 6.18147762e+01 4 PBKETCA 1/26/12 THERMC 9H 10O 3 0G 300.0000 5000.0000 1395.00 1 3.11091786e+01 2.64910219e-02-9.30079088e-06 1.46974586e-09-8.63374688e-14 2 -3.63810283e+04-1.34357647e+02-6.09392714e+00 1.24090605e-01-1.11510915e-04 3 5.23648109e-08-1.01760662e-11-2.44827024e+04 6.18147762e+01 4 PHENA PHENANTHRE T 1/94C 14H 10 0 0G 200.0000 6000.0000 1000.00 1 2.55171870e+01 3.93727940e-02-1.23155080e-05 1.27852800e-09 0.00000000e+00 2 1.31224037e+04-1.15618425e+02-9.09473640e+00 1.31333761e-01-9.24016157e-05 3 2.40155355e-08 5.64145893e-17 2.27649496e+04 6.39753414e+01 4 STYLBEN C 14H 12 G 300.0000 3000.0000 1000.00 1 2.68497500e+01 4.28429300e-02-1.50785000e-05 2.46643600e-09-1.54717900e-13 2 1.64311618e+04-1.17404952e+02-8.81859796e+00 1.39313757e-01-1.08268541e-04 3 4.21074294e-08-7.40814907e-12 2.64678813e+04 6.77071539e+01 4 PBZCOOH 12/ 7/11 THERMC 9H 12O 2 0G 300.0000 5000.0000 1392.00 1 2.95449604e+01 3.02958247e-02-1.05956226e-05 1.66988278e-09-9.79063464e-14 2 -2.48966337e+04-1.29252922e+02-5.94847901e+00 1.21767385e-01-1.05849231e-04 3 4.95440276e-08-9.79096201e-12-1.32746612e+04 5.86783052e+01 4 NC6H14 7/19/ 0 THERMC 6H 14 0 0G 300.0000 5000.0000 1390.00 1 1.89634117e+01 3.04480204e-02-1.03794829e-05 1.60775457e-09-9.31269728e-14 2 -3.01517345e+04-7.62702074e+01-1.33328639e+00 7.55121183e-02-4.99259194e-05 3 1.87676137e-08-3.31293367e-12-2.27443178e+04 3.38262119e+01 4 C6H13-1 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1390.00 1 1.85385470e+01 2.83107962e-02-9.65307246e-06 1.49547585e-09-8.66336064e-14 2 -5.08256817e+03-7.04362475e+01-5.45335824e-01 7.08175157e-02-4.70999075e-05 3 1.77988201e-08-3.14957665e-12 1.86656958e+03 3.30297564e+01 4 C6H13-2 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1380.00 1 1.83687363e+01 2.80268110e-02-9.47032396e-06 1.45888527e-09-8.42002461e-14 2 -6.45357704e+03-6.90842809e+01-1.79128726e-02 6.51094401e-02-3.65539735e-05 3 1.02793120e-08-1.29465210e-12 5.50137346e+02 3.18338441e+01 4 C6H13-3 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1380.00 1 1.83687363e+01 2.80268110e-02-9.47032396e-06 1.45888527e-09-8.42002461e-14 2 -6.45357704e+03-6.90842809e+01-1.79128726e-02 6.51094401e-02-3.65539735e-05 3 1.02793120e-08-1.29465210e-12 5.50137346e+02 3.18338441e+01 4 C6H12-1 5/14/ 3 THERMC 6H 12 0 0G 300.0000 5000.0000 1392.00 1 1.78337529e+01 2.67377658e-02-9.10036773e-06 1.40819768e-09-8.15124244e-14 2 -1.41957703e+04-6.83689405e+01-1.69395842e+00 7.23068025e-02-5.15997072e-05 3 2.08776021e-08-3.82854116e-12-7.30983408e+03 3.67375750e+01 4 C6H12-2 5/14/ 3 THERMC 6H 12 0 0G 300.0000 5000.0000 1390.00 1 1.73616148e+01 2.71634902e-02-9.25249439e-06 1.43247725e-09-8.29472521e-14 2 -1.55408288e+04-6.61732447e+01-1.16921591e+00 6.88061052e-02-4.63854259e-05 3 1.78021455e-08-3.18247232e-12-8.83060693e+03 3.41629137e+01 4 C6H12-3 5/14/ 3 THERMC 6H 12 0 0G 300.0000 5000.0000 1392.00 1 1.74392115e+01 2.72012909e-02-9.28739405e-06 1.44011755e-09-8.34782517e-14 2 -1.55198908e+04-6.72177361e+01-2.11161851e+00 7.28340889e-02-5.21701968e-05 3 2.13960412e-08-3.99960019e-12-8.59870181e+03 3.80601788e+01 4 C6H111-3 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1392.00 1 1.74385677e+01 2.50390443e-02-8.53480314e-06 1.32209951e-09-7.65892920e-14 2 2.89642223e+03-6.74748018e+01-2.00053419e+00 7.05255294e-02-5.08327672e-05 3 2.04985744e-08-3.71010154e-12 9.71424028e+03 3.70669430e+01 4 C6H111-4 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1381.00 1 1.72621286e+01 2.42963321e-02-8.18563605e-06 1.25871870e-09-7.25641092e-14 2 9.48637439e+03-6.20146721e+01-2.91326261e-01 6.15113950e-02-3.76491677e-05 3 1.20474368e-08-1.73976802e-12 1.59715908e+04 3.36528170e+01 4 C6H111-5 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1381.00 1 1.72621286e+01 2.42963321e-02-8.18563605e-06 1.25871870e-09-7.25641092e-14 2 9.48637439e+03-6.20146721e+01-2.91326261e-01 6.15113950e-02-3.76491677e-05 3 1.20474368e-08-1.73976802e-12 1.59715908e+04 3.36528170e+01 4 C6H111-6 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1392.00 1 1.74129892e+01 2.45984185e-02-8.37352752e-06 1.29588349e-09-7.50182758e-14 2 1.08712296e+04-6.32548310e+01-9.37664181e-01 6.77582013e-02-4.89972752e-05 3 2.00550325e-08-3.70004074e-12 1.73057057e+04 3.53921567e+01 4 C6H112-4 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1389.00 1 1.69675593e+01 2.54635235e-02-8.68644122e-06 1.34629700e-09-7.80191162e-14 2 1.55107102e+03-6.52854043e+01-1.48034183e+00 6.70554366e-02-4.56852852e-05 3 1.74829349e-08-3.08263370e-12 8.19394564e+03 3.45115630e+01 4 C6H112-5 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1377.00 1 1.67818090e+01 2.47356833e-02-8.34368101e-06 1.28402955e-09-7.40627547e-14 2 8.14462639e+03-5.97729808e+01 2.42426358e-01 5.79884698e-02-3.24426586e-05 3 9.01288610e-09-1.11284633e-12 1.44491183e+04 3.10334756e+01 4 C6H112-6 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1390.00 1 1.69431052e+01 2.50224953e-02-8.52515322e-06 1.32009254e-09-7.64493285e-14 2 9.52503506e+03-6.10676099e+01-4.15843642e-01 6.42690588e-02-4.37932377e-05 3 1.69814942e-08-3.05336739e-12 1.57853769e+04 3.28361679e+01 4 C6H113-1 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1392.00 1 1.70133131e+01 2.50666461e-02-8.56223877e-06 1.32807194e-09-7.69999372e-14 2 9.54916728e+03-6.13790635e+01-1.32204401e+00 6.81309426e-02-4.93348071e-05 3 2.04261965e-08-3.83740762e-12 1.60120012e+04 3.72566138e+01 4 C6H11O1-3 3/28/97 THERMC 6H 11O 1 0G 300.0000 5000.0000 1393.00 1 2.22920437e+01 2.24441825e-02-7.53070994e-06 1.15575450e-09-6.65675174e-14 2 -9.29874755e+03-8.94693125e+01-2.76897189e+00 8.31544047e-02-6.41988254e-05 3 2.57425478e-08-4.31743091e-12-9.17631133e+02 4.42126370e+01 4 C6H11O2-4 3/28/97 THERMC 6H 11O 1 0G 300.0000 5000.0000 1388.00 1 2.17536453e+01 2.29477789e-02-7.71427788e-06 1.18540388e-09-6.83332601e-14 2 -1.06226426e+04-8.69025862e+01-2.20460894e+00 7.95163123e-02-5.90225365e-05 3 2.28667598e-08-3.75629421e-12-2.44412402e+03 4.14533077e+01 4 C6H12O1-2 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1390.00 1 1.98237675e+01 2.83076305e-02-9.79700725e-06 1.53290291e-09-8.94136512e-14 2 -2.85977064e+04-7.96926270e+01-3.18730023e+00 8.67168477e-02-7.17390798e-05 3 3.42383581e-08-7.14373573e-12-2.07892497e+04 4.27954895e+01 4 C6H12O1-3 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1381.00 1 2.00943213e+01 2.80281041e-02-9.61073019e-06 1.49563556e-09-8.69482515e-14 2 -2.94476035e+04-8.29489449e+01-4.17352658e+00 8.54235292e-02-6.47765294e-05 3 2.79602680e-08-5.44466911e-12-2.09154424e+04 4.75009813e+01 4 C6H12O1-4 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1385.00 1 1.81937451e+01 3.05132082e-02-1.05538621e-05 1.65081301e-09-9.62756740e-14 2 -3.91682491e+04-7.28671146e+01-5.57894697e+00 8.79082574e-02-6.82491674e-05 3 3.09948381e-08-6.34870727e-12-3.08182508e+04 5.47008331e+01 4 C6H12O1-5 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1369.00 1 2.18696492e+01 2.89644808e-02-1.02843212e-05 1.63714319e-09-9.66552991e-14 2 -4.43246714e+04-1.01237020e+02-5.45266040e+00 8.57831588e-02-5.60746782e-05 3 2.01784538e-08-3.57450898e-12-3.39390446e+04 4.84013569e+01 4 C6H12O2-3 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1392.00 1 2.04400807e+01 2.77275705e-02-9.58422558e-06 1.49835476e-09-8.73476387e-14 2 -3.09383957e+04-8.33541278e+01-3.85222518e+00 9.17323039e-02-7.96564714e-05 3 3.91067372e-08-8.20130925e-12-2.29523839e+04 4.50825510e+01 4 C6H12O2-4 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1388.00 1 1.99501923e+01 2.88253331e-02-1.00217930e-05 1.57295064e-09-9.19508743e-14 2 -3.15496124e+04-8.24626819e+01-4.34616749e+00 8.88110730e-02-7.15798484e-05 3 3.32079768e-08-6.81766412e-12-2.31634160e+04 4.74164025e+01 4 C6H12O2-5 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1388.00 1 1.86455632e+01 3.02705842e-02-1.05000692e-05 1.64542415e-09-9.60802316e-14 2 -4.14714517e+04-7.56566614e+01-5.83987394e+00 9.12650494e-02-7.40119390e-05 3 3.48077990e-08-7.23431957e-12-3.30451419e+04 5.50938401e+01 4 C6H12O3-4 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1392.00 1 2.04400807e+01 2.77275705e-02-9.58422558e-06 1.49835476e-09-8.73476387e-14 2 -3.09383957e+04-8.33541278e+01-3.85222518e+00 9.17323039e-02-7.96564714e-05 3 3.91067372e-08-8.20130925e-12-2.29523839e+04 4.50825510e+01 4 C6H13O2H-1 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1388.00 1 2.45609177e+01 3.07471465e-02-1.06611615e-05 1.67031752e-09-9.75224221e-14 2 -4.21144240e+04-9.94018598e+01-1.02344642e-01 8.90202097e-02-6.69909390e-05 3 2.89876053e-08-5.68694914e-12-3.33937604e+04 3.32671873e+01 4 C6H13O2H-2 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1390.00 1 2.53703550e+01 3.00455578e-02-1.04162589e-05 1.63180782e-09-9.52693153e-14 2 -4.47051960e+04-1.04939773e+02-9.92390422e-01 9.49682731e-02-7.58734475e-05 3 3.42734174e-08-6.81181145e-12-3.56744741e+04 3.58885690e+01 4 C6H13O2H-3 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1390.00 1 2.53703550e+01 3.00455578e-02-1.04162589e-05 1.63180782e-09-9.52693153e-14 2 -4.47051960e+04-1.04939773e+02-9.92390422e-01 9.49682731e-02-7.58734475e-05 3 3.42734174e-08-6.81181145e-12-3.56744741e+04 3.58885690e+01 4 C6H13O2-1 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1387.00 1 2.21224820e+01 3.05609710e-02-1.05650154e-05 1.65180006e-09-9.62963346e-14 2 -2.42051418e+04-8.52352442e+01 6.88602736e-01 8.11059947e-02-6.03804039e-05 3 2.67933089e-08-5.47961153e-12-1.65227171e+04 3.02667332e+01 4 C6H13O2-2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.28578467e+01 2.98910703e-02-1.03239520e-05 1.61313659e-09-9.40033512e-14 2 -2.67510910e+04-9.03093778e+01-3.87153539e-02 8.63669707e-02-6.83495750e-05 3 3.15147555e-08-6.46901615e-12-1.88284308e+04 3.21299235e+01 4 C6H13O2-3 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.28578467e+01 2.98910703e-02-1.03239520e-05 1.61313659e-09-9.40033512e-14 2 -2.67510910e+04-9.03093778e+01-3.87153539e-02 8.63669707e-02-6.83495750e-05 3 3.15147555e-08-6.46901615e-12-1.88284308e+04 3.21299235e+01 4 C6H12OOH1-2 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1383.00 1 2.39324013e+01 2.82540690e-02-9.70102532e-06 1.51047138e-09-8.78256178e-14 2 -1.83547859e+04-9.26148836e+01 1.09516749e+00 7.90628551e-02-5.39403640e-05 3 2.03274058e-08-3.52943047e-12-1.00808581e+04 3.11395733e+01 4 C6H12OOH1-3 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1383.00 1 2.39324013e+01 2.82540690e-02-9.70102532e-06 1.51047138e-09-8.78256178e-14 2 -1.83547859e+04-9.26148836e+01 1.09516749e+00 7.90628551e-02-5.39403640e-05 3 2.03274058e-08-3.52943047e-12-1.00808581e+04 3.11395733e+01 4 C6H12OOH1-4 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1383.00 1 2.39324013e+01 2.82540690e-02-9.70102532e-06 1.51047138e-09-8.78256178e-14 2 -1.83547859e+04-9.26148836e+01 1.09516749e+00 7.90628551e-02-5.39403640e-05 3 2.03274058e-08-3.52943047e-12-1.00808581e+04 3.11395733e+01 4 C6H12OOH1-5 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1383.00 1 2.39324013e+01 2.82540690e-02-9.70102532e-06 1.51047138e-09-8.78256178e-14 2 -1.83547859e+04-9.26148836e+01 1.09516749e+00 7.90628551e-02-5.39403640e-05 3 2.03274058e-08-3.52943047e-12-1.00808581e+04 3.11395733e+01 4 C6H12OOH2-1 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.49425195e+01 2.78897045e-02-9.67889017e-06 1.51735809e-09-8.86312636e-14 2 -1.96293670e+04-9.97639395e+01-2.01117755e-01 9.02811977e-02-7.30945345e-05 3 3.33360023e-08-6.65382249e-12-1.10645555e+04 3.43832852e+01 4 C6H12OOH2-3 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1389.00 1 2.42386096e+01 2.82611912e-02-9.75785456e-06 1.52463492e-09-8.88530032e-14 2 -2.07551656e+04-9.53095308e+01 5.92855128e-01 8.36108109e-02-6.17281483e-05 3 2.55843648e-08-4.77506715e-12-1.24244917e+04 3.19211198e+01 4 C6H12OOH2-4 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1389.00 1 2.42386096e+01 2.82611912e-02-9.75785456e-06 1.52463492e-09-8.88530032e-14 2 -2.07551656e+04-9.53095308e+01 5.92855128e-01 8.36108109e-02-6.17281483e-05 3 2.55843648e-08-4.77506715e-12-1.24244917e+04 3.19211198e+01 4 C6H12OOH2-5 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1389.00 1 2.42386096e+01 2.82611912e-02-9.75785456e-06 1.52463492e-09-8.88530032e-14 2 -2.07551656e+04-9.53095308e+01 5.92855128e-01 8.36108109e-02-6.17281483e-05 3 2.55843648e-08-4.77506715e-12-1.24244917e+04 3.19211198e+01 4 C6H12OOH2-6 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.49425195e+01 2.78897045e-02-9.67889017e-06 1.51735809e-09-8.86312636e-14 2 -1.96293670e+04-9.97639395e+01-2.01117755e-01 9.02811977e-02-7.30945345e-05 3 3.33360023e-08-6.65382249e-12-1.10645555e+04 3.43832852e+01 4 C6H12OOH3-1 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.49425195e+01 2.78897045e-02-9.67889017e-06 1.51735809e-09-8.86312636e-14 2 -1.96293670e+04-9.97639395e+01-2.01117755e-01 9.02811977e-02-7.30945345e-05 3 3.33360023e-08-6.65382249e-12-1.10645555e+04 3.43832852e+01 4 C6H12OOH3-2 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1389.00 1 2.42386096e+01 2.82611912e-02-9.75785456e-06 1.52463492e-09-8.88530032e-14 2 -2.07551656e+04-9.53095308e+01 5.92855128e-01 8.36108109e-02-6.17281483e-05 3 2.55843648e-08-4.77506715e-12-1.24244917e+04 3.19211198e+01 4 C6H12OOH3-4 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1389.00 1 2.42386096e+01 2.82611912e-02-9.75785456e-06 1.52463492e-09-8.88530032e-14 2 -2.07551656e+04-9.53095308e+01 5.92855128e-01 8.36108109e-02-6.17281483e-05 3 2.55843648e-08-4.77506715e-12-1.24244917e+04 3.19211198e+01 4 C6H12OOH3-5 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1389.00 1 2.42386096e+01 2.82611912e-02-9.75785456e-06 1.52463492e-09-8.88530032e-14 2 -2.07551656e+04-9.53095308e+01 5.92855128e-01 8.36108109e-02-6.17281483e-05 3 2.55843648e-08-4.77506715e-12-1.24244917e+04 3.19211198e+01 4 C6H12OOH3-6 7/19/0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.49425195e+01 2.78897045e-02-9.67889017e-06 1.51735809e-09-8.86312636e-14 2 -1.96293670e+04-9.97639395e+01-2.01117755e-01 9.02811977e-02-7.30945345e-05 3 3.33360023e-08-6.65382249e-12-1.10645555e+04 3.43832852e+01 4 C6H12OOH1-2O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 C6H12OOH1-3O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 C6H12OOH1-4O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 C6H12OOH1-5O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 C6H12OOH2-1O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 C6H12OOH2-3O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.95548919e+01 2.88270019e-02-1.00437732e-05 1.57871998e-09-9.23848804e-14 2 -4.12979111e+04-1.19647836e+02 1.04165350e+00 1.03200166e-01-9.02640391e-05 3 4.39998435e-08-9.14643609e-12-3.18925535e+04 3.12963014e+01 4 C6H12OOH2-4O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.95548919e+01 2.88270019e-02-1.00437732e-05 1.57871998e-09-9.23848804e-14 2 -4.12979111e+04-1.19647836e+02 1.04165350e+00 1.03200166e-01-9.02640391e-05 3 4.39998435e-08-9.14643609e-12-3.18925535e+04 3.12963014e+01 4 C6H12OOH2-5O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.95548919e+01 2.88270019e-02-1.00437732e-05 1.57871998e-09-9.23848804e-14 2 -4.12979111e+04-1.19647836e+02 1.04165350e+00 1.03200166e-01-9.02640391e-05 3 4.39998435e-08-9.14643609e-12-3.18925535e+04 3.12963014e+01 4 C6H12OOH2-6O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 C6H12OOH3-1O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 C6H12OOH3-2O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.95548919e+01 2.88270019e-02-1.00437732e-05 1.57871998e-09-9.23848804e-14 2 -4.12979111e+04-1.19647836e+02 1.04165350e+00 1.03200166e-01-9.02640391e-05 3 4.39998435e-08-9.14643609e-12-3.18925535e+04 3.12963014e+01 4 C6H12OOH3-4O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.95548919e+01 2.88270019e-02-1.00437732e-05 1.57871998e-09-9.23848804e-14 2 -4.12979111e+04-1.19647836e+02 1.04165350e+00 1.03200166e-01-9.02640391e-05 3 4.39998435e-08-9.14643609e-12-3.18925535e+04 3.12963014e+01 4 C6H12OOH3-5O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.95548919e+01 2.88270019e-02-1.00437732e-05 1.57871998e-09-9.23848804e-14 2 -4.12979111e+04-1.19647836e+02 1.04165350e+00 1.03200166e-01-9.02640391e-05 3 4.39998435e-08-9.14643609e-12-3.18925535e+04 3.12963014e+01 4 C6H12OOH3-6O2 7/19/0 TRMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.87780675e+01 2.95251779e-02-1.02931692e-05 1.61854521e-09-9.47401775e-14 2 -3.87542019e+04-1.15066016e+02 1.53235933e+00 9.85715260e-02-8.29898926e-05 3 3.96148780e-08-8.21556536e-12-2.95388968e+04 2.99312515e+01 4 NC6KET12 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1431.00 1 1.76692622e+01 2.98180137e-02-9.43179071e-06 1.38583919e-09-7.72738616e-14 2 -4.66978378e+04-4.87244471e+01 3.24083013e+00 6.62017670e-02-4.50751950e-05 3 1.75943763e-08-2.97334491e-12-4.20037871e+04 2.77476686e+01 4 NC6KET13 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.59328855e+01 2.71799865e-02-9.46340472e-06 1.48679538e-09-8.69765690e-14 2 -5.41271795e+04-1.02600610e+02 1.80374681e+00 8.68835039e-02-7.05706692e-05 3 3.26691030e-08-6.66002754e-12-4.58402589e+04 2.62878923e+01 4 NC6KET14 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.59328855e+01 2.71799865e-02-9.46340472e-06 1.48679538e-09-8.69765690e-14 2 -5.41271795e+04-1.02600610e+02 1.80374681e+00 8.68835039e-02-7.05706692e-05 3 3.26691030e-08-6.66002754e-12-4.58402589e+04 2.62878923e+01 4 NC6KET15 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.59328855e+01 2.71799865e-02-9.46340472e-06 1.48679538e-09-8.69765690e-14 2 -5.41271795e+04-1.02600610e+02 1.80374681e+00 8.68835039e-02-7.05706692e-05 3 3.26691030e-08-6.66002754e-12-4.58402589e+04 2.62878923e+01 4 NC6KET21 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1380.00 1 2.48977627e+01 2.82099062e-02-9.85249224e-06 1.55108568e-09-9.08649219e-14 2 -5.53557226e+04-9.63732261e+01 3.80941221e+00 7.63839710e-02-5.60400426e-05 3 2.46980602e-08-5.12684953e-12-4.76098315e+04 1.78804698e+01 4 NC6KET23 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1388.00 1 2.63430506e+01 2.69861544e-02-9.43297025e-06 1.48601772e-09-8.70977117e-14 2 -5.77848478e+04-1.05845981e+02-6.77172142e-01 9.37590589e-02-7.67062940e-05 3 3.48619025e-08-6.90472249e-12-4.85821549e+04 3.83602860e+01 4 NC6KET24 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1386.00 1 2.56847445e+01 2.74782488e-02-9.58627575e-06 1.50810536e-09-8.83051336e-14 2 -5.79000439e+04-1.01987433e+02 1.15146945e+00 8.79009865e-02-7.12662157e-05 3 3.30082661e-08-6.75318594e-12-4.94348524e+04 2.91805008e+01 4 NC6KET25 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1386.00 1 2.56847445e+01 2.74782488e-02-9.58627575e-06 1.50810536e-09-8.83051336e-14 2 -5.79000439e+04-1.01987433e+02 1.15146945e+00 8.79009865e-02-7.12662157e-05 3 3.30082661e-08-6.75318594e-12-4.94348524e+04 2.91805008e+01 4 NC6KET26 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1383.00 1 2.50574425e+01 2.80369155e-02-9.78501982e-06 1.53978046e-09-9.01766406e-14 2 -5.54010375e+04-9.82296760e+01 2.04204028e+00 8.17718681e-02-6.15875934e-05 3 2.69739527e-08-5.41973360e-12-4.71519047e+04 2.58914306e+01 4 NC6KET31 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1383.00 1 2.49194999e+01 2.81507231e-02-9.82266516e-06 1.54541788e-09-9.04929606e-14 2 -5.54274331e+04-9.70906726e+01 2.33776318e+00 8.29729935e-02-6.60770751e-05 3 3.10563381e-08-6.56986533e-12-4.74575706e+04 2.41048335e+01 4 NC6KET32 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.60960142e+01 2.71703309e-02-9.48970254e-06 1.49407399e-09-8.75315577e-14 2 -5.77541940e+04-1.04044128e+02-5.25763254e-02 9.35041190e-02-7.91780936e-05 3 3.77378910e-08-7.78844449e-12-4.89367272e+04 3.50544721e+01 4 NC6KET34 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.60960142e+01 2.71703309e-02-9.48970254e-06 1.49407399e-09-8.75315577e-14 2 -5.77541940e+04-1.04044128e+02-5.25763254e-02 9.35041190e-02-7.91780936e-05 3 3.77378910e-08-7.78844449e-12-4.89367272e+04 3.50544721e+01 4 NC6KET35 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1385.00 1 2.55125763e+01 2.76136115e-02-9.62969344e-06 1.51447067e-09-8.86568371e-14 2 -5.79127800e+04-1.00646148e+02 1.82516693e+00 8.72758564e-02-7.28814958e-05 3 3.52081449e-08-7.46149436e-12-4.97939277e+04 2.56728439e+01 4 NC6KET36 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1383.00 1 2.49194999e+01 2.81507231e-02-9.82266516e-06 1.54541788e-09-9.04929606e-14 2 -5.54274331e+04-9.70906726e+01 2.33776318e+00 8.29729935e-02-6.60770751e-05 3 3.10563381e-08-6.56986533e-12-4.74575706e+04 2.41048335e+01 4 C6H13O-1 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1391.00 1 2.04847348e+01 2.93216823e-02-1.00270389e-05 1.55645319e-09-9.02886762e-14 2 -2.24192125e+04-7.93071342e+01-6.69553523e-01 7.82545654e-02-5.54666248e-05 3 2.24601495e-08-4.16420302e-12-1.48891731e+04 3.47567734e+01 4 C6H13O-2 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1396.00 1 2.10569902e+01 2.87986753e-02-9.83767726e-06 1.52590233e-09-8.84677299e-14 2 -2.47327888e+04-8.26986432e+01-1.18264605e+00 8.26558719e-02-6.24504175e-05 3 2.66935257e-08-5.06022748e-12-1.70773532e+04 3.63256436e+01 4 C6H13O-3 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1396.00 1 2.10569902e+01 2.87986753e-02-9.83767726e-06 1.52590233e-09-8.84677299e-14 2 -2.47327888e+04-8.26986432e+01-1.18264605e+00 8.26558719e-02-6.24504175e-05 3 2.66935257e-08-5.06022748e-12-1.70773532e+04 3.63256436e+01 4 C6H12OH-1 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1374.00 1 2.08351245e+01 2.75160242e-02-9.19212642e-06 1.40613856e-09-8.07910065e-14 2 -2.53937643e+04-7.80357332e+01 4.96875941e-01 6.97352656e-02-4.10882106e-05 3 1.21068362e-08-1.54319599e-12-1.78247301e+04 3.30672955e+01 4 C6H12OH-2 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.05388853e+01 2.82512269e-02-9.53280388e-06 1.46688381e-09-8.45889133e-14 2 -2.73265898e+04-7.65166256e+01-9.38532555e-02 7.50206898e-02-5.08551288e-05 3 1.90345364e-08-3.22360309e-12-1.99741771e+04 3.49164189e+01 4 C6H12OH-3 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.05388853e+01 2.82512269e-02-9.53280388e-06 1.46688381e-09-8.45889133e-14 2 -2.73265898e+04-7.65166256e+01-9.38532555e-02 7.50206898e-02-5.08551288e-05 3 1.90345364e-08-3.22360309e-12-1.99741771e+04 3.49164189e+01 4 O2C6H12OH-1 6/25/99 THRMC 6H 13O 3 0G 300.0000 5000.0000 1395.00 1 2.37745808e+01 3.06705946e-02-1.04669074e-05 1.62226472e-09-9.39991386e-14 2 -4.49398581e+04-8.94688132e+01 2.06426268e+00 8.36124426e-02-6.33385961e-05 3 2.77978153e-08-5.45781092e-12-3.74378781e+04 2.67108396e+01 4 O2C6H12OH-2 6/25/99 THRMC 6H 13O 3 0G 300.0000 5000.0000 1397.00 1 2.46632042e+01 2.99541594e-02-1.02286047e-05 1.58601587e-09-9.19277798e-14 2 -4.73977276e+04-9.48049650e+01 1.11111557e+00 8.97402074e-02-7.22560871e-05 3 3.30384379e-08-6.56839946e-12-3.95211624e+04 3.03497105e+01 4 O2C6H12OH-3 6/25/99 THRMC 6H 13O 3 0G 300.0000 5000.0000 1397.00 1 2.46632042e+01 2.99541594e-02-1.02286047e-05 1.58601587e-09-9.19277798e-14 2 -4.73977276e+04-9.48049650e+01 1.11111557e+00 8.97402074e-02-7.22560871e-05 3 3.30384379e-08-6.56839946e-12-3.95211624e+04 3.03497105e+01 4 NC4H9CHO 2/29/96 THERMC 5H 10O 1 0G 300.0000 5000.0000 1381.00 1 1.67965163e+01 2.25684519e-02-7.67631588e-06 1.18769369e-09-6.87545554e-14 2 -3.56735861e+04-6.08951643e+01 1.29458660e+00 5.65219949e-02-3.71515924e-05 3 1.40081518e-08-2.52670195e-12-2.99541958e+04 2.33893118e+01 4 NC4H9CO 2/29/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1382.00 1 1.61782939e+01 2.07991920e-02-7.11787892e-06 1.10559975e-09-6.41697187e-14 2 -1.66449911e+04-5.58834999e+01 2.14276126e+00 5.14671459e-02-3.38746608e-05 3 1.29258144e-08-2.37892678e-12-1.14385824e+04 2.04911330e+01 4 C4H8CHO-1 2/29/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1382.00 1 1.62387385e+01 2.06785503e-02-7.06216576e-06 1.09553003e-09-6.35307382e-14 2 -1.05630880e+04-5.50339245e+01 2.12732067e+00 5.17160597e-02-3.43633708e-05 3 1.32381438e-08-2.44572855e-12-5.35172833e+03 2.16764774e+01 4 C4H8CHO-2 2/29/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 2014.00 1 1.41407667e+01 2.28357886e-02-7.96904210e-06 1.26040379e-09-7.42466834e-14 2 -1.07617384e+04-4.21761793e+01 2.35146003e+00 4.78091617e-02-2.66038723e-05 3 7.06773835e-09-7.04032715e-13-6.63569931e+03 2.17890232e+01 4 C4H8CHO-3 2/29/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 2014.00 1 1.41407667e+01 2.28357886e-02-7.96904210e-06 1.26040379e-09-7.42466834e-14 2 -1.07617384e+04-4.21761793e+01 2.35146003e+00 4.78091617e-02-2.66038723e-05 3 7.06773835e-09-7.04032715e-13-6.63569931e+03 2.17890232e+01 4 C4H8CHO-4 2/29/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1388.00 1 1.65969615e+01 2.07196999e-02-7.14969212e-06 1.11659188e-09-6.50492039e-14 2 -1.54446952e+04-6.03065931e+01 8.60332022e-01 5.65765837e-02-3.99675320e-05 3 1.61083021e-08-3.00078431e-12-9.77599926e+03 2.47620376e+01 4 AC3H5CHO 2/29/96 THERMC 4H 6O 1 0G 300.0000 5000.0000 1390.00 1 1.22811161e+01 1.50167397e-02-5.17605303e-06 8.07796972e-10-4.70379360e-14 2 -1.50915398e+04-3.71969503e+01-6.91585394e-02 4.42142822e-02-3.29911231e-05 3 1.38887068e-08-2.62489109e-12-1.07632739e+04 2.91645554e+01 4 AC3H5CO 2/29/96 THERMC 4H 5O 1 0G 300.0000 5000.0000 1389.00 1 1.18646590e+01 1.28852832e-02-4.45460888e-06 6.96613045e-10-4.06215490e-14 2 3.86957976e+03-3.32914374e+01 7.33603050e-01 3.92123346e-02-2.94741601e-05 3 1.23991944e-08-2.33152009e-12 7.76213734e+03 2.65019697e+01 4 C2H3CHCHO 2/29/96 THERMC 4H 5O 1 0G 300.0000 5000.0000 1382.00 1 1.24074059e+01 1.27319711e-02-4.47199396e-06 7.06819922e-10-4.15245536e-14 2 1.72338349e+03-3.93961240e+01-2.20226243e-01 4.13802922e-02-3.01459246e-05 3 1.19987058e-08-2.16175389e-12 6.24568945e+03 2.88420709e+01 4 NC3H7COCH3 2/22/96 THERMC 5H 10O 1 0G 300.0000 5000.0000 1383.00 1 1.61841564e+01 2.35245881e-02-8.09675055e-06 1.26230690e-09-7.34487839e-14 2 -3.93268268e+04-5.82847922e+01 8.82426093e-01 5.68171643e-02-3.74589237e-05 3 1.46438204e-08-2.80105852e-12-3.35921941e+04 2.51097124e+01 4 NC3H7COCH2 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1389.00 1 1.61502419e+01 2.14093466e-02-7.36059614e-06 1.14656816e-09-6.66712722e-14 2 -1.76849947e+04-5.83718712e+01 5.70573800e-01 5.95926352e-02-4.63552293e-05 3 2.11759361e-08-4.33797688e-12-1.22677769e+04 2.50308908e+01 4 C3H6COCH3-1 2/22/96 THRMC 5H 9O 1 0G 300.0000 5000.0000 1381.00 1 1.58052948e+01 2.12787457e-02-7.31842496e-06 1.14049355e-09-6.63446381e-14 2 -1.42730209e+04-5.33896162e+01 1.67442856e+00 5.19465110e-02-3.41952952e-05 3 1.32841948e-08-2.52609241e-12-8.97783951e+03 2.36369506e+01 4 C3H6COCH3-2 2/22/96 THRMC 5H 9O 1 0G 300.0000 5000.0000 2017.00 1 1.36994763e+01 2.33997602e-02-8.20838083e-06 1.30268499e-09-7.69151198e-14 2 -1.44405834e+04-4.04457798e+01 1.86522719e+00 4.80870011e-02-2.62282113e-05 3 6.73476829e-09-6.34241504e-13-1.02551323e+04 2.39141214e+01 4 C3H6COCH3-3 2/22/96 THRMC 5H 9O 1 0G 300.0000 5000.0000 1389.00 1 1.57976789e+01 2.17091054e-02-7.46487769e-06 1.16300253e-09-6.76366022e-14 2 -1.89572089e+04-5.64926344e+01 3.14495781e-01 5.73130115e-02-4.06798613e-05 3 1.67371380e-08-3.19052503e-12-1.33902151e+04 2.71303603e+01 4 C2H5COC2H5 2/22/96 THERMC 5H 10O 1 0G 300.0000 5000.0000 1376.00 1 1.67131896e+01 2.24769805e-02-7.61830162e-06 1.17658492e-09-6.80456888e-14 2 -3.95908494e+04-6.15223233e+01 1.21191508e+00 5.72782331e-02-3.96992128e-05 3 1.64639629e-08-3.26816043e-12-3.38907780e+04 2.25804929e+01 4 C2H5COC2H4P 2/22/96 THRMC 5H 9O 1 0G 300.0000 5000.0000 1376.00 1 1.62000827e+01 2.05106647e-02-6.96977982e-06 1.07826230e-09-6.24324406e-14 2 -1.44959959e+04-5.52139598e+01 2.03090805e+00 5.24863317e-02-3.68392217e-05 3 1.55831279e-08-3.14889434e-12-9.28527199e+03 2.16339884e+01 4 C2H5COC2H4S 2/22/96 THRMC 5H 9O 1 0G 300.0000 5000.0000 1385.00 1 1.61904470e+01 2.12169293e-02-7.35412919e-06 1.15187377e-09-6.72380864e-14 2 -1.92528014e+04-5.84785575e+01 7.00493674e-01 5.78066365e-02-4.35508796e-05 3 1.95189602e-08-4.02145415e-12-1.37032300e+04 2.49792770e+01 4 C2H5COC2H3 2/22/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1387.00 1 1.55916947e+01 1.96028302e-02-6.79737285e-06 1.06496015e-09-6.21767189e-14 2 -2.55865953e+04-5.53151601e+01 8.49380886e-02 5.78913815e-02-4.64279627e-05 3 2.17482548e-08-4.53351781e-12-2.02057877e+04 2.76292722e+01 4 PC2H4COC2H3 2/22/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1404.00 1 1.26732841e+01 2.02366192e-02-6.61089203e-06 9.93878746e-10-5.63457733e-14 2 7.83977755e+02-3.54421468e+01 4.48609551e-01 5.58193077e-02-4.88095721e-05 3 2.46208993e-08-5.18813315e-12 4.45381985e+03 2.79728401e+01 4 SC2H4COC2H3 2/22/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1389.00 1 1.58074213e+01 1.69721022e-02-5.91317608e-06 9.29449082e-10-5.43903161e-14 2 -5.48123498e+03-5.69730744e+01-5.22380033e-01 5.83895524e-02-4.91565788e-05 3 2.31672664e-08-4.71877198e-12 4.71573362e+00 2.98573066e+01 4 NC7H16 7/19/ 0 THERMC 7H 16 0 0G 300.0000 5000.0000 1391.00 1 2.22148969e+01 3.47675750e-02-1.18407129e-05 1.83298478e-09-1.06130266e-13 2 -3.42634787e+04-9.22885664e+01-1.67779583e+00 8.83661002e-02-5.93317201e-05 3 2.25220750e-08-3.96759877e-12-2.56180451e+04 3.70837196e+01 4 C7H15-1 7/19/ 0 THERMC 7H 15 0 0G 300.0000 5000.0000 1390.00 1 2.17940709e+01 3.26280243e-02-1.11138244e-05 1.72067148e-09-9.96366999e-14 2 -9.19735760e+03-8.64806189e+01-8.91611074e-01 8.36891487e-02-5.65643314e-05 3 2.16221126e-08-3.82907841e-12-1.00702043e+03 3.62941151e+01 4 C7H15-2 7/19/ 0 THERMC 7H 15 0 0G 300.0000 5000.0000 1382.00 1 2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2 -1.05785680e+04-8.52100746e+01-3.32417401e-01 7.77858953e-02-4.56680687e-05 3 1.38568283e-08-1.91381270e-12-2.32688940e+03 3.49618544e+01 4 C7H15-3 7/19/ 0 THERMC 7H 15 0 0G 300.0000 5000.0000 1382.00 1 2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2 -1.05785680e+04-8.52100746e+01-3.32417401e-01 7.77858953e-02-4.56680687e-05 3 1.38568283e-08-1.91381270e-12-2.32688940e+03 3.49618544e+01 4 C7H15-4 7/19/ 0 THERMC 7H 15 0 0G 300.0000 5000.0000 1382.00 1 2.16368842e+01 3.23324804e-02-1.09273807e-05 1.68357060e-09-9.71774091e-14 2 -1.05785680e+04-8.58995562e+01-3.32417401e-01 7.77858953e-02-4.56680687e-05 3 1.38568283e-08-1.91381270e-12-2.32688940e+03 3.42723728e+01 4 C7H14-1 7/19/ 0 THERMC 7H 14 0 0G 300.0000 5000.0000 1392.00 1 2.10898039e+01 3.10607878e-02-1.05644793e-05 1.63405780e-09-9.45598219e-14 2 -1.83139076e+04-8.44242210e+01-2.06950060e+00 8.52679049e-02-6.11563525e-05 3 2.47423724e-08-4.51463340e-12-1.01779390e+04 4.01457546e+01 4 C7H14-2 7/19/ 0 THERMC 7H 14 0 0G 300.0000 5000.0000 1390.00 1 2.06192047e+01 3.14852991e-02-1.07162057e-05 1.65827662e-09-9.59911785e-14 2 -1.96595505e+04-8.22374408e+01-1.54930276e+00 8.17927657e-02-5.59875421e-05 3 2.17018465e-08-3.87833109e-12-1.16981550e+04 3.75911000e+01 4 C7H14-3 7/19/ 0 THERMC 7H 14 0 0G 300.0000 5000.0000 1392.00 1 2.06822750e+01 3.15388629e-02-1.07571215e-05 1.66690260e-09-9.65810393e-14 2 -1.96322574e+04-8.25077256e+01-2.44684329e+00 8.56131144e-02-6.14614210e-05 3 2.50976930e-08-4.64907657e-12-1.14727750e+04 4.19719840e+01 4 C7H131-3 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.06977799e+01 2.93585249e-02-9.99754351e-06 1.54773305e-09-8.96230815e-14 2 -1.36916016e+03-8.35487517e+01-2.38483047e+00 8.35227521e-02-6.04375515e-05 3 2.43905174e-08-4.40184313e-12 6.70156561e+03 4.05161414e+01 4 C7H131-4 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1383.00 1 2.05321062e+01 2.85988588e-02-9.64125534e-06 1.48314293e-09-8.55245930e-14 2 5.21480890e+03-7.81505948e+01-6.09852008e-01 7.42059380e-02-4.67905467e-05 3 1.56421672e-08-2.36296333e-12 1.29492194e+04 3.67994146e+01 4 C7H131-5 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1383.00 1 2.05321062e+01 2.85988588e-02-9.64125534e-06 1.48314293e-09-8.55245930e-14 2 5.21480890e+03-7.81505948e+01-6.09852008e-01 7.42059380e-02-4.67905467e-05 3 1.56421672e-08-2.36296333e-12 1.29492194e+04 3.67994146e+01 4 C7H131-6 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1383.00 1 2.05321062e+01 2.85988588e-02-9.64125534e-06 1.48314293e-09-8.55245930e-14 2 5.21480890e+03-7.81505948e+01-6.09852008e-01 7.42059380e-02-4.67905467e-05 3 1.56421672e-08-2.36296333e-12 1.29492194e+04 3.67994146e+01 4 C7H131-7 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.06754243e+01 2.89092236e-02-9.83222685e-06 1.52079763e-09-8.80072255e-14 2 6.60493061e+03-7.93425123e+01-1.22520596e+00 8.03559930e-02-5.80400091e-05 3 2.36108004e-08-4.31876821e-12 1.42776005e+04 3.83870184e+01 4 C7H132-4 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1390.00 1 2.02283723e+01 2.97818393e-02-1.01488201e-05 1.57187813e-09-9.10500113e-14 2 -2.70022237e+03-8.13688848e+01-1.86432779e+00 8.00443852e-02-5.52576773e-05 3 2.13385056e-08-3.76182623e-12 5.19642325e+03 3.79603140e+01 4 C7H132-5 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1379.00 1 2.00522952e+01 2.90375466e-02-9.79903704e-06 1.50841035e-09-8.70206514e-14 2 3.88800567e+03-7.59117722e+01-7.89490248e-02 7.07027921e-02-4.16298404e-05 3 1.26500327e-08-1.74945145e-12 1.14421436e+04 3.41921023e+01 4 C7H132-6 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1379.00 1 2.00522952e+01 2.90375466e-02-9.79903704e-06 1.50841035e-09-8.70206514e-14 2 3.88800567e+03-7.59117722e+01-7.89490248e-02 7.07027921e-02-4.16298404e-05 3 1.26500327e-08-1.74945145e-12 1.14421436e+04 3.41921023e+01 4 C7H132-7 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1390.00 1 2.02038608e+01 2.93419067e-02-9.98810855e-06 1.54578179e-09-8.94871756e-14 2 5.27403884e+03-7.71507321e+01-8.17734265e-01 7.73560974e-02-5.35462903e-05 3 2.09769562e-08-3.77126051e-12 1.27901725e+04 3.63645628e+01 4 C7H133-1 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.02595343e+01 2.94019199e-02-1.00312524e-05 1.55475333e-09-9.00969885e-14 2 5.31976569e+03-7.73772314e+01-1.68352335e+00 8.10328199e-02-5.88131785e-05 3 2.42475141e-08-4.51453287e-12 1.30259734e+04 4.05992139e+01 4 C7H133-5 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.02852000e+01 2.98429179e-02-1.01927262e-05 1.58100534e-09-9.16702393e-14 2 -2.65495315e+03-8.16027002e+01-2.75296291e+00 8.38321732e-02-6.06985589e-05 3 2.47233509e-08-4.53208848e-12 5.43542375e+03 4.22987970e+01 4 C7H133-6 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1384.00 1 2.00865333e+01 2.91250010e-02-9.85196347e-06 1.51881375e-09-8.77061669e-14 2 3.94799536e+03-7.60101227e+01-1.09593267e+00 7.50413417e-02-4.78247715e-05 3 1.64399137e-08-2.59146217e-12 1.17008248e+04 3.91277249e+01 4 C7H133-7 6/24/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.02595343e+01 2.94019199e-02-1.00312524e-05 1.55475333e-09-9.00969885e-14 2 5.31976569e+03-7.73772314e+01-1.68352335e+00 8.10328199e-02-5.88131785e-05 3 2.42475141e-08-4.51453287e-12 1.30259734e+04 4.05992139e+01 4 C7H13O1-3 5/14/ 3 THERMC 7H 13O 1 0G 300.0000 5000.0000 1392.00 1 2.53923888e+01 2.67015459e-02-8.93162555e-06 1.36776722e-09-7.86546152e-14 2 -1.31898923e+04-1.04474254e+02-3.27448471e+00 9.72063068e-02-7.64401993e-05 3 3.17165067e-08-5.54518033e-12-3.66996565e+03 4.81379074e+01 4 C7H13O2-4 5/14/ 3 THERMC 7H 13O 1 0G 300.0000 5000.0000 1389.00 1 2.48888884e+01 2.71728188e-02-9.10354489e-06 1.39555380e-09-8.03103189e-14 2 -1.45287252e+04-1.02110734e+02-2.67946670e+00 9.33811165e-02-7.08239960e-05 3 2.84646790e-08-4.87763323e-12-5.20047943e+03 4.52432490e+01 4 C7H13O3-5 3/28/97 THERMC 7H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.46614185e+01 2.71531970e-02-9.04971128e-06 1.38224414e-09-7.93365017e-14 2 -1.43547532e+04-1.00394869e+02-4.44350062e+00 1.02327687e-01-8.59887779e-05 3 3.86950290e-08-7.29646621e-12-4.97737477e+03 5.34063567e+01 4 C7H15O2-1 7/19/ 0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1388.00 1 2.52656556e+01 3.50803587e-02-1.21178801e-05 1.89360806e-09-1.10354125e-13 2 -2.80930256e+04-1.00682174e+02 6.05370360e-01 9.27294872e-02-6.80268183e-05 3 2.95716322e-08-5.94559205e-12-1.92320472e+04 3.23325159e+01 4 C7H15O2-2 7/19/ 0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.60535640e+01 3.43831688e-02-1.18713247e-05 1.85450241e-09-1.08052399e-13 2 -3.06650735e+04-1.05383960e+02-2.71143978e-01 9.87226869e-02-7.71012074e-05 3 3.50179386e-08-7.11069025e-12-2.15174041e+04 3.55600159e+01 4 C7H15O2-3 7/19/ 0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.60535640e+01 3.43831688e-02-1.18713247e-05 1.85450241e-09-1.08052399e-13 2 -3.06650735e+04-1.05383960e+02-2.71143978e-01 9.87226869e-02-7.71012074e-05 3 3.50179386e-08-7.11069025e-12-2.15174041e+04 3.55600159e+01 4 C7H15O2-4 7/19/ 0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.60535640e+01 3.43831688e-02-1.18713247e-05 1.85450241e-09-1.08052399e-13 2 -3.06650735e+04-1.06073441e+02-2.71143978e-01 9.87226869e-02-7.71012074e-05 3 3.50179386e-08-7.11069025e-12-2.15174041e+04 3.48705343e+01 4 C7H15O2H-1 7/19/ 0 THERMC 7H 16O 2 0G 300.0000 5000.0000 1388.00 1 2.77185802e+01 3.52624458e-02-1.22144164e-05 1.91237244e-09-1.11602067e-13 2 -4.62084903e+04-1.14932916e+02-3.28933181e-01 1.01405319e-01-7.59244639e-05 3 3.26716191e-08-6.38121941e-12-3.62858140e+04 3.59723559e+01 4 C7H15O2H-2 7/19/ 0 THERMC 7H 16O 2 0G 300.0000 5000.0000 1390.00 1 2.85706023e+01 3.45345478e-02-1.19627321e-05 1.87305198e-09-1.09312061e-13 2 -4.88226238e+04-1.20041135e+02-1.21731745e+00 1.07289187e-01-8.45599885e-05 3 3.77289011e-08-7.44146948e-12-3.85659323e+04 3.92838002e+01 4 C7H15O2H-3 7/19/ 0 THERMC 7H 16O 2 0G 300.0000 5000.0000 1390.00 1 2.85706023e+01 3.45345478e-02-1.19627321e-05 1.87305198e-09-1.09312061e-13 2 -4.88226238e+04-1.20041135e+02-1.21731745e+00 1.07289187e-01-8.45599885e-05 3 3.77289011e-08-7.44146948e-12-3.85659323e+04 3.92838002e+01 4 C7H15O2H-4 7/19/ 0 THERMC 7H 16O 2 0G 300.0000 5000.0000 1390.00 1 2.85706023e+01 3.45345478e-02-1.19627321e-05 1.87305198e-09-1.09312061e-13 2 -4.88226238e+04-1.20730617e+02-1.21731745e+00 1.07289187e-01-8.45599885e-05 3 3.77289011e-08-7.44146948e-12-3.85659323e+04 3.85943186e+01 4 C7H15O-1 4/ 7/97 THERMC 7H 15O 1 0G 300.0000 5000.0000 1391.00 1 2.36489937e+01 3.38195865e-02-1.15717686e-05 1.79692111e-09-1.04265757e-13 2 -2.65139325e+04-9.48708804e+01-9.17413549e-01 9.07258518e-02-6.45064289e-05 3 2.61856579e-08-4.86104475e-12-1.77778576e+04 3.75618036e+01 4 C7H15O-2 4/ 7/97 THERMC 7H 15O 1 0G 300.0000 5000.0000 1395.00 1 2.43070968e+01 3.31267815e-02-1.13034023e-05 1.75198875e-09-1.01526945e-13 2 -2.88482199e+04-9.87187135e+01-1.54599799e+00 9.55753148e-02-7.19801709e-05 3 3.05662754e-08-5.75410414e-12-1.99474900e+04 3.96755412e+01 4 C7H15O-3 4/ 7/97 THERMC 7H 15O 1 0G 300.0000 5000.0000 1395.00 1 2.43070968e+01 3.31267815e-02-1.13034023e-05 1.75198875e-09-1.01526945e-13 2 -2.88482199e+04-9.87187135e+01-1.54599799e+00 9.55753148e-02-7.19801709e-05 3 3.05662754e-08-5.75410414e-12-1.99474900e+04 3.96755412e+01 4 C7H15O-4 4/ 7/97 THERMC 7H 15O 1 0G 300.0000 5000.0000 1395.00 1 2.43070968e+01 3.31267815e-02-1.13034023e-05 1.75198875e-09-1.01526945e-13 2 -2.88482199e+04-9.94081951e+01-1.54599799e+00 9.55753148e-02-7.19801709e-05 3 3.05662754e-08-5.75410414e-12-1.99474900e+04 3.89860596e+01 4 C7H14OOH1-2 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1383.00 1 2.72290222e+01 3.24921901e-02-1.11259758e-05 1.72928878e-09-1.00428326e-13 2 -2.24847998e+04-1.08885831e+02 6.82334962e-01 9.22376199e-02-6.38982906e-05 3 2.44783817e-08-4.28841106e-12-1.29443258e+04 3.47119717e+01 4 C7H14OOH1-3 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1383.00 1 2.72290222e+01 3.24921901e-02-1.11259758e-05 1.72928878e-09-1.00428326e-13 2 -2.24847998e+04-1.08885831e+02 6.82334962e-01 9.22376199e-02-6.38982906e-05 3 2.44783817e-08-4.28841106e-12-1.29443258e+04 3.47119717e+01 4 C7H14OOH1-4 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1383.00 1 2.72290222e+01 3.24921901e-02-1.11259758e-05 1.72928878e-09-1.00428326e-13 2 -2.24847998e+04-1.08885831e+02 6.82334962e-01 9.22376199e-02-6.38982906e-05 3 2.44783817e-08-4.28841106e-12-1.29443258e+04 3.47119717e+01 4 C7H14OOH1-5 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1383.00 1 2.72290222e+01 3.24921901e-02-1.11259758e-05 1.72928878e-09-1.00428326e-13 2 -2.24847998e+04-1.08885831e+02 6.82334962e-01 9.22376199e-02-6.38982906e-05 3 2.44783817e-08-4.28841106e-12-1.29443258e+04 3.47119717e+01 4 C7H14OOH2-1 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.81418167e+01 3.23810222e-02-1.12264895e-05 1.75881065e-09-1.02687430e-13 2 -2.37467818e+04-1.14860957e+02-4.40241568e-01 1.02666664e-01-8.18840359e-05 3 3.68613320e-08-7.30050728e-12-1.39538701e+04 3.78441518e+01 4 C7H14OOH2-3 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH2-4 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH2-5 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH2-6 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH3-1 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.81418167e+01 3.23810222e-02-1.12264895e-05 1.75881065e-09-1.02687430e-13 2 -2.37467818e+04-1.14860957e+02-4.40241568e-01 1.02666664e-01-8.18840359e-05 3 3.68613320e-08-7.30050728e-12-1.39538701e+04 3.78441518e+01 4 C7H14OOH3-2 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH3-4 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH3-5 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH3-6 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10183543e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.53444691e+01 4 C7H14OOH3-7 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.81418167e+01 3.23810222e-02-1.12264895e-05 1.75881065e-09-1.02687430e-13 2 -2.37467818e+04-1.14860957e+02-4.40241568e-01 1.02666664e-01-8.18840359e-05 3 3.68613320e-08-7.30050728e-12-1.39538701e+04 3.78441518e+01 4 C7H14OOH4-1 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.81418167e+01 3.23810222e-02-1.12264895e-05 1.75881065e-09-1.02687430e-13 2 -2.37467818e+04-1.15550438e+02-4.40241568e-01 1.02666664e-01-8.18840359e-05 3 3.68613320e-08-7.30050728e-12-1.39538701e+04 3.71546702e+01 4 C7H14OOH4-2 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10873024e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.46549875e+01 4 C7H14OOH4-3 7/19/0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1389.00 1 2.74034778e+01 3.27527893e-02-1.12991770e-05 1.76444649e-09-1.02786945e-13 2 -2.48487131e+04-1.10873024e+02 3.60286108e-01 9.60159958e-02-7.06721396e-05 3 2.92490551e-08-5.45807822e-12-1.53155300e+04 3.46549875e+01 4 C7H14OOH1-2O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH1-3O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH1-4O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH1-5O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH2-1O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH2-3O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH2-4O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH2-5O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH2-6O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH3-1O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH3-2O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH3-4O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH3-5O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH3-6O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH3-7O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH4-1O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.20144349e+01 3.40055996e-02-1.18415856e-05 1.86060347e-09-1.08851012e-13 2 -4.26951769e+04-1.31091075e+02 1.17315932e+00 1.11416161e-01-9.23213485e-05 3 4.34168269e-08-8.91372215e-12-3.22072455e+04 3.32716255e+01 4 C7H14OOH4-2O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14OOH4-3O2 7/19/0 TRMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.28358296e+01 3.32767285e-02-1.15833285e-05 1.81958638e-09-1.06434419e-13 2 -4.52650539e+04-1.35948258e+02 6.79950893e-01 1.15941387e-01-9.92317572e-05 3 4.74712399e-08-9.75157637e-12-3.45581662e+04 3.46683286e+01 4 C7H14O1-2 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1394.00 1 2.35147269e+01 3.21674287e-02-1.10803549e-05 1.72835023e-09-1.00601041e-13 2 -3.33187736e+04-9.74054899e+01-4.18378193e+00 1.00852193e-01-8.02434494e-05 3 3.58218087e-08-6.98658463e-12-2.39272168e+04 5.02991206e+01 4 C7H14O1-3 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1395.00 1 2.26918916e+01 3.32510472e-02-1.14457765e-05 1.78455535e-09-1.03841112e-13 2 -3.41430611e+04-9.46148812e+01-6.01846007e+00 1.03858932e-01-8.15683521e-05 3 3.57727723e-08-6.86255542e-12-2.43777999e+04 5.86417033e+01 4 C7H14O1-4 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1398.00 1 2.20530468e+01 3.40541230e-02-1.16873054e-05 1.81862696e-09-1.05680270e-13 2 -4.41683846e+04-9.24506884e+01-7.00469838e+00 1.03870032e-01-7.83898907e-05 3 3.26175833e-08-5.95215591e-12-3.41870687e+04 6.31206663e+01 4 C7H14O1-5 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1394.00 1 2.27681049e+01 3.42097414e-02-1.18172110e-05 1.84695360e-09-1.07658833e-13 2 -4.68014804e+04-1.01815398e+02-7.61531745e+00 1.05953785e-01-7.89897805e-05 3 3.23262238e-08-5.84364307e-12-3.62357330e+04 6.13069498e+01 4 C7H14O2-3 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1397.00 1 2.44676947e+01 3.13508938e-02-1.07981336e-05 1.68432141e-09-9.80409528e-14 2 -3.58569467e+04-1.03145636e+02-4.85472767e+00 1.05041273e-01-8.53953478e-05 3 3.82242945e-08-7.36046098e-12-2.60717240e+04 5.27643351e+01 4 C7H14O2-4 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1399.00 1 2.32692731e+01 3.25585391e-02-1.11624906e-05 1.73573658e-09-1.00813215e-13 2 -3.64201366e+04-9.79275071e+01-5.86876149e+00 1.05231544e-01-8.38283874e-05 3 3.67915132e-08-6.96567971e-12-2.66647469e+04 5.71540849e+01 4 C7H14O2-5 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1399.00 1 2.26707471e+01 3.34803352e-02-1.14785395e-05 1.78491428e-09-1.03671828e-13 2 -4.65157726e+04-9.61332972e+01-7.72029654e+00 1.09095852e-01-8.66723241e-05 3 3.77747179e-08-7.09213735e-12-3.63417479e+04 6.56475716e+01 4 C7H14O2-6 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1396.00 1 2.33833361e+01 3.36382957e-02-1.16092281e-05 1.81335441e-09-1.05656460e-13 2 -4.91469498e+04-1.05481859e+02-8.31413644e+00 1.11095222e-01-8.71089273e-05 3 3.73467680e-08-6.94306979e-12-3.83928583e+04 6.37572746e+01 4 C7H14O3-4 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1397.00 1 2.44676947e+01 3.13508938e-02-1.07981336e-05 1.68432141e-09-9.80409528e-14 2 -3.58569467e+04-1.03145636e+02-4.85472767e+00 1.05041273e-01-8.53953478e-05 3 3.82242945e-08-7.36046098e-12-2.60717240e+04 5.27643351e+01 4 C7H14O3-5 7/19/ 0 THERMC 7H 14O 1 0G 300.0000 5000.0000 1399.00 1 2.32692731e+01 3.25585391e-02-1.11624906e-05 1.73573658e-09-1.00813215e-13 2 -3.64201366e+04-9.79275071e+01-5.86876149e+00 1.05231544e-01-8.38283874e-05 3 3.67915132e-08-6.96567971e-12-2.66647469e+04 5.71540849e+01 4 NC7KET12 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1387.00 1 3.14039860e+01 2.85485198e-02-9.69585695e-06 1.50017009e-09-8.68909491e-14 2 -5.73893601e+04-1.31557947e+02-1.51115979e+00 1.12098976e-01-9.43022446e-05 3 4.25505597e-08-8.12269833e-12-4.65820597e+04 4.30006418e+01 4 NC7KET13 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1388.00 1 2.90744507e+01 3.17177458e-02-1.10262646e-05 1.73053608e-09-1.01161699e-13 2 -5.82155675e+04-1.18040897e+02 1.59215015e+00 9.92082501e-02-7.94299500e-05 3 3.63089476e-08-7.34229107e-12-4.87346749e+04 2.89227030e+01 4 NC7KET14 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1388.00 1 2.90744507e+01 3.17177458e-02-1.10262646e-05 1.73053608e-09-1.01161699e-13 2 -5.82155675e+04-1.18040897e+02 1.59215015e+00 9.92082501e-02-7.94299500e-05 3 3.63089476e-08-7.34229107e-12-4.87346749e+04 2.89227030e+01 4 NC7KET15 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1388.00 1 2.90744507e+01 3.17177458e-02-1.10262646e-05 1.73053608e-09-1.01161699e-13 2 -5.82155675e+04-1.18040897e+02 1.59215015e+00 9.92082501e-02-7.94299500e-05 3 3.63089476e-08-7.34229107e-12-4.87346749e+04 2.89227030e+01 4 NC7KET21 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1385.00 1 3.07082732e+01 2.92465419e-02-9.95807579e-06 1.54315782e-09-8.94718150e-14 2 -5.87436119e+04-1.27036753e+02-1.55680215e+00 1.12406910e-01-9.66538388e-05 3 4.52557001e-08-8.98802053e-12-4.81817709e+04 4.37998806e+01 4 NC7KET23 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1388.00 1 3.05981614e+01 2.97258855e-02-1.01972578e-05 1.58732411e-09-9.22942417e-14 2 -6.09470471e+04-1.27817099e+02-2.00850268e+00 1.12732003e-01-9.51703776e-05 3 4.35455453e-08-8.47134917e-12-5.02053985e+04 4.51275416e+01 4 NC7KET24 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1387.00 1 2.88330388e+01 3.20168096e-02-1.11508456e-05 1.75226159e-09-1.02520451e-13 2 -6.19946379e+04-1.17475487e+02 8.82600181e-01 1.00451608e-01-8.04356587e-05 3 3.68388881e-08-7.47944359e-12-5.23198471e+04 3.20864729e+01 4 NC7KET25 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1387.00 1 2.88330388e+01 3.20168096e-02-1.11508456e-05 1.75226159e-09-1.02520451e-13 2 -6.19946379e+04-1.17475487e+02 8.82600181e-01 1.00451608e-01-8.04356587e-05 3 3.68388881e-08-7.47944359e-12-5.23198471e+04 3.20864729e+01 4 NC7KET26 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1387.00 1 2.88330388e+01 3.20168096e-02-1.11508456e-05 1.75226159e-09-1.02520451e-13 2 -6.19946379e+04-1.17475487e+02 8.82600181e-01 1.00451608e-01-8.04356587e-05 3 3.68388881e-08-7.47944359e-12-5.23198471e+04 3.20864729e+01 4 NC7KET31 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1384.00 1 2.80739929e+01 3.26743194e-02-1.13798765e-05 1.78819290e-09-1.04618326e-13 2 -5.95191559e+04-1.12602690e+02 2.07771786e+00 9.55328131e-02-7.52834756e-05 3 3.49100313e-08-7.30038028e-12-5.03453219e+04 2.69592357e+01 4 NC7KET32 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1385.00 1 3.09165578e+01 2.91258044e-02-9.92861588e-06 1.53981152e-09-8.93271341e-14 2 -6.11526840e+04-1.29242187e+02-1.59405759e+00 1.13060032e-01-9.76064567e-05 3 4.58299295e-08-9.11747670e-12-5.05224935e+04 4.28484073e+01 4 NC7KET34 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1385.00 1 3.09165578e+01 2.91258044e-02-9.92861588e-06 1.53981152e-09-8.93271341e-14 2 -6.11526840e+04-1.29242187e+02-1.59405759e+00 1.13060032e-01-9.76064567e-05 3 4.58299295e-08-9.11747670e-12-5.05224935e+04 4.28484073e+01 4 NC7KET35 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1387.00 1 2.88330388e+01 3.20168096e-02-1.11508456e-05 1.75226159e-09-1.02520451e-13 2 -6.19946379e+04-1.17475487e+02 8.82600181e-01 1.00451608e-01-8.04356587e-05 3 3.68388881e-08-7.47944359e-12-5.23198471e+04 3.20864729e+01 4 NC7KET36 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1387.00 1 2.88330388e+01 3.20168096e-02-1.11508456e-05 1.75226159e-09-1.02520451e-13 2 -6.19946379e+04-1.17475487e+02 8.82600181e-01 1.00451608e-01-8.04356587e-05 3 3.68388881e-08-7.47944359e-12-5.23198471e+04 3.20864729e+01 4 NC7KET37 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1384.00 1 2.80739929e+01 3.26743194e-02-1.13798765e-05 1.78819290e-09-1.04618326e-13 2 -5.95191559e+04-1.12602690e+02 2.07771786e+00 9.55328131e-02-7.52834756e-05 3 3.49100313e-08-7.30038028e-12-5.03453219e+04 2.69592357e+01 4 NC7KET41 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1384.00 1 2.80739929e+01 3.26743194e-02-1.13798765e-05 1.78819290e-09-1.04618326e-13 2 -5.95191559e+04-1.12602690e+02 2.07771786e+00 9.55328131e-02-7.52834756e-05 3 3.49100313e-08-7.30038028e-12-5.03453219e+04 2.69592357e+01 4 NC7KET42 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1386.00 1 2.86572867e+01 3.21567908e-02-1.11961570e-05 1.75895000e-09-1.02891960e-13 2 -6.20037602e+04-1.16108664e+02 1.61188272e+00 9.96103902e-02-8.17457594e-05 3 3.88521108e-08-8.14585231e-12-5.26882382e+04 2.83145421e+01 4 NC7KET43 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1386.00 1 2.86572867e+01 3.21567908e-02-1.11961570e-05 1.75895000e-09-1.02891960e-13 2 -6.20037602e+04-1.16108664e+02 1.61188272e+00 9.96103902e-02-8.17457594e-05 3 3.88521108e-08-8.14585231e-12-5.26882382e+04 2.83145421e+01 4 C7H14OH-1 6/25/99 THERMC 7H 15O 1 0G 300.0000 5000.0000 1376.00 1 2.41265675e+01 3.16637088e-02-1.05671043e-05 1.61536314e-09-9.27674815e-14 2 -2.95404961e+04-9.42277032e+01 1.84531169e-01 8.24162464e-02-5.03056290e-05 3 1.57180823e-08-2.15562862e-12-2.07369898e+04 3.61859252e+01 4 C7H14OH-2 6/25/99 THERMC 7H 15O 1 0G 300.0000 5000.0000 1390.00 1 2.38036547e+01 3.25612587e-02-1.09916297e-05 1.69186772e-09-9.75842145e-14 2 -3.14849640e+04-9.26223507e+01-4.08890316e-01 8.77116408e-02-6.00138964e-05 3 2.26572130e-08-3.85741685e-12-2.28866051e+04 3.80447601e+01 4 C7H14OH-3 6/25/99 THERMC 7H 15O 1 0G 300.0000 5000.0000 1390.00 1 2.38036547e+01 3.25612587e-02-1.09916297e-05 1.69186772e-09-9.75842145e-14 2 -3.14849640e+04-9.26223507e+01-4.08890316e-01 8.77116408e-02-6.00138964e-05 3 2.26572130e-08-3.85741685e-12-2.28866051e+04 3.80447601e+01 4 O2C7H14OH-1 6/25/99 THRMC 7H 15O 3 0G 300.0000 5000.0000 1395.00 1 2.69431812e+01 3.51661203e-02-1.20111248e-05 1.86268617e-09-1.07974911e-13 2 -4.90720088e+04-1.05058578e+02 1.82205914e+00 9.60502582e-02-7.22979903e-05 3 3.14511202e-08-6.13287293e-12-4.03625695e+04 2.94906378e+01 4 O2C7H14OH-2 6/25/99 THRMC 7H 15O 3 0G 300.0000 5000.0000 1396.00 1 2.78711248e+01 3.44298705e-02-1.17690678e-05 1.82617826e-09-1.05901891e-13 2 -5.15521103e+04-1.10636462e+02 8.87227136e-01 1.02059726e-01-8.09310761e-05 3 3.64772275e-08-7.19226006e-12-4.24481692e+04 3.30495807e+01 4 O2C7H14OH-3 6/25/99 THRMC 7H 15O 3 0G 300.0000 5000.0000 1396.00 1 2.78711248e+01 3.44298705e-02-1.17690678e-05 1.82617826e-09-1.05901891e-13 2 -5.15521103e+04-1.10636462e+02 8.87227136e-01 1.02059726e-01-8.09310761e-05 3 3.64772275e-08-7.19226006e-12-4.24481692e+04 3.30495807e+01 4 NC5H11CHO 2/29/96 THERMC 6H 12O 1 0G 300.0000 5000.0000 1384.00 1 1.98891043e+01 2.71869340e-02-9.27391515e-06 1.43744158e-09-8.33090761e-14 2 -3.97412504e+04-7.60604460e+01 1.00612027e+00 6.92135826e-02-4.65993291e-05 3 1.80454442e-08-3.30338758e-12-3.28375386e+04 2.63755558e+01 4 NC5H11CO 2/29/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1383.00 1 1.94783812e+01 2.50466029e-02-8.54861346e-06 1.32557944e-09-7.68503296e-14 2 -2.07821821e+04-7.21869270e+01 1.80452205e+00 6.42271866e-02-4.30940242e-05 3 1.65545620e-08-3.00785051e-12-1.43114142e+04 2.37336991e+01 4 C5H10CHO-1 2/29/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1383.00 1 1.94701427e+01 2.50490154e-02-8.54838759e-06 1.32543025e-09-7.68369090e-14 2 -1.46773539e+04-7.09606578e+01 1.80477473e+00 6.44718460e-02-4.37166020e-05 3 1.70622713e-08-3.14333456e-12-8.22821774e+03 2.48352685e+01 4 C5H10CHO-2 2/29/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1371.00 1 2.01227062e+01 2.38797102e-02-8.02929509e-06 1.23389172e-09-7.11284276e-14 2 -1.74107028e+04-7.48100858e+01 2.29372806e-01 6.50857715e-02-3.85248716e-05 3 1.08320261e-08-1.20717681e-12-1.00447795e+04 3.38108719e+01 4 C5H10CHO-3 2/29/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1371.00 1 2.01227062e+01 2.38797102e-02-8.02929509e-06 1.23389172e-09-7.11284276e-14 2 -1.74107028e+04-7.48100858e+01 2.29372806e-01 6.50857715e-02-3.85248716e-05 3 1.08320261e-08-1.20717681e-12-1.00447795e+04 3.38108719e+01 4 C5H10CHO-4 2/29/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1371.00 1 2.01227062e+01 2.38797102e-02-8.02929509e-06 1.23389172e-09-7.11284276e-14 2 -1.74107028e+04-7.48100858e+01 2.29372806e-01 6.50857715e-02-3.85248716e-05 3 1.08320261e-08-1.20717681e-12-1.00447795e+04 3.38108719e+01 4 C5H10CHO-5 2/29/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1395.00 1 2.02669246e+01 2.47914857e-02-8.54953747e-06 1.33477274e-09-7.77453379e-14 2 -2.07792366e+04-7.92941095e+01-1.57988837e+00 7.59024028e-02-5.56297912e-05 3 2.22308804e-08-3.92255121e-12-1.31526227e+04 3.81321171e+01 4 C4H7CHO1-4 5/ 6/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1379.00 1 1.59299730e+01 1.84432887e-02-6.21997362e-06 9.57537306e-10-5.52580126e-14 2 -1.98232959e+04-5.51675049e+01 1.04460321e+00 5.26745702e-02-3.75413522e-05 3 1.50862844e-08-2.76753836e-12-1.45336148e+04 2.51184288e+01 4 C4H7CO1-4 5/ 6/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1378.00 1 1.54637001e+01 1.64158685e-02-5.54672481e-06 8.55055295e-10-4.93928750e-14 2 -8.48765953e+02-5.09977739e+01 1.85475646e+00 4.76630340e-02-3.40638213e-05 3 1.36810553e-08-2.50665567e-12 3.99021748e+03 2.24176645e+01 4 C4H6CHO1-43 5/ 6/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1382.00 1 1.54178855e+01 1.71672536e-02-5.95214751e-06 9.32713368e-10-5.44705237e-14 2 -2.75088015e+03-5.37657041e+01 8.46337551e-01 5.06553782e-02-3.70003419e-05 3 1.53458956e-08-2.92006928e-12 2.46962059e+03 2.49066184e+01 4 C4H6CHO1-44 5/ 6/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1390.00 1 1.54721595e+01 1.70164879e-02-5.87513255e-06 9.17941359e-10-5.34945363e-14 2 5.07820144e+02-5.31338358e+01 4.66420674e-01 5.35109080e-02-4.18174873e-05 3 1.83179042e-08-3.53780098e-12 5.66355832e+03 2.71336308e+01 4 NC4H9COCH3 2/22/96 THERMC 6H 12O 1 0G 300.0000 5000.0000 1384.00 1 1.93396071e+01 2.80294129e-02-9.64367685e-06 1.50309259e-09-8.74431874e-14 2 -4.34181658e+04-7.37986859e+01 6.22423588e-01 6.93164295e-02-4.65320810e-05 3 1.83878234e-08-3.50180684e-12-3.64782418e+04 2.79769112e+01 4 NC4H9COCH2 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1387.00 1 1.98575871e+01 2.52406370e-02-8.72522623e-06 1.36422047e-09-7.95374883e-14 2 -2.20392135e+04-7.70968445e+01 1.97012745e-01 7.24795323e-02-5.56561773e-05 3 2.48438264e-08-5.00412329e-12-1.51350473e+04 2.84402640e+01 4 C4H8COCH3-1 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1384.00 1 1.89006813e+01 2.59288818e-02-8.93525037e-06 1.39416390e-09-8.11664734e-14 2 -1.83474762e+04-6.85838667e+01 1.42885581e+00 6.45694729e-02-4.36793064e-05 3 1.74458922e-08-3.35429911e-12-1.18708190e+04 2.63998899e+01 4 C4H8COCH3-2 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1365.00 1 1.92472410e+01 2.47394219e-02-8.34917480e-06 1.28606717e-09-7.42515416e-14 2 -1.98892286e+04-7.00642151e+01 2.07206679e+00 5.78554879e-02-3.05575148e-05 3 7.51760175e-09-7.93744398e-13-1.31954126e+04 2.47495112e+01 4 C4H8COCH3-3 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1365.00 1 1.92472410e+01 2.47394219e-02-8.34917480e-06 1.28606717e-09-7.42515416e-14 2 -1.98892286e+04-7.00642151e+01 2.07206679e+00 5.78554879e-02-3.05575148e-05 3 7.51760175e-09-7.93744398e-13-1.31954126e+04 2.47495112e+01 4 C4H8COCH3-4 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1387.00 1 1.94544114e+01 2.56278187e-02-8.86916402e-06 1.38780777e-09-8.09574343e-14 2 -2.32977253e+04-7.49429800e+01 6.82273999e-02 6.96435472e-02-4.92249270e-05 3 2.00012411e-08-3.78117477e-12-1.62766245e+04 2.99501741e+01 4 C4H7OOH1-4 4/1/96 THERMC 4H 8O 2 0G 300.0000 5000.0000 1393.00 1 1.66978343e+01 1.80578399e-02-6.22476839e-06 9.71479434e-10-5.65686551e-14 2 -1.85262727e+04-5.76508586e+01 1.53213158e+00 5.42323829e-02-4.08714449e-05 3 1.72307744e-08-3.22890711e-12-1.32582886e+04 2.36972036e+01 4 C4H7O1-4 4/ 1/96 THERMC 4H 7O 1 0G 300.0000 5000.0000 1393.00 1 1.31417783e+01 1.64166051e-02-5.56949199e-06 8.60114769e-10-4.97230006e-14 2 1.68677658e+03-4.16072597e+01-5.23368471e-01 4.99653541e-02-3.86379855e-05 3 1.66925585e-08-3.15604101e-12 6.32268214e+03 3.13269465e+01 4 C5H9OOH1-4 3/27/97 THERMC 5H 10O 2 0G 300.0000 5000.0000 1397.00 1 2.02179950e+01 2.21511744e-02-7.60711244e-06 1.18420679e-09-6.88331594e-14 2 -2.44188822e+04-7.58154025e+01 4.18948037e-01 7.18444811e-02-5.79310416e-05 3 2.58896281e-08-4.99605042e-12-1.77971718e+04 2.94950936e+01 4 C5H9O1-4 3/28/97 THERMC 5H 9O 1 0G 300.0000 5000.0000 1398.00 1 1.66809382e+01 2.07591828e-02-7.09289768e-06 1.10031617e-09-6.37992567e-14 2 -4.66518845e+03-5.94927608e+01-1.18830247e+00 6.65829424e-02-5.47302802e-05 3 2.50722566e-08-4.92994204e-12 1.22839517e+03 3.52345643e+01 4 C5H9OOH1-5 3/27/97 THERMC 5H 10O 2 0G 300.0000 5000.0000 1393.00 1 1.98575596e+01 2.25572969e-02-7.76951451e-06 1.21189491e-09-7.05404248e-14 2 -2.26175168e+04-7.31844622e+01 1.32572338e+00 6.65170664e-02-4.96178983e-05 3 2.07560638e-08-3.87583725e-12-1.61532589e+04 2.63103213e+01 4 C5H9O1-5 3/28/97 THERMC 5H 9O 1 0G 300.0000 5000.0000 1394.00 1 1.62564642e+01 2.10561226e-02-7.18323965e-06 1.11331434e-09-6.45162851e-14 2 -2.40058960e+03-5.69287863e+01-9.14652517e-01 6.31042558e-02-4.87132918e-05 3 2.11380992e-08-4.03305122e-12 3.45490061e+03 3.47901320e+01 4 C6H11OOH1-4 3/27/97 THRMC 6H 12O 2 0G 300.0000 5000.0000 1397.00 1 2.33879230e+01 2.66182814e-02-9.13553672e-06 1.42154300e-09-8.26043195e-14 2 -2.85086367e+04-9.13944906e+01 2.07381407e-01 8.41209446e-02-6.65883978e-05 3 2.92896506e-08-5.59741936e-12-2.06908022e+04 3.21371013e+01 4 C6H11O1-4 3/28/97 THERMC 6H 11O 1 0G 300.0000 5000.0000 1397.00 1 1.99304018e+01 2.50878998e-02-8.55881248e-06 1.32642733e-09-7.68596330e-14 2 -8.78038881e+03-7.55093580e+01-1.56325018e+00 7.95479798e-02-6.43166449e-05 3 2.89700048e-08-5.62640384e-12-1.63985937e+03 3.86392344e+01 4 C6H11OOH1-5 3/27/97 THRMC 6H 12O 2 0G 300.0000 5000.0000 1397.00 1 2.33879230e+01 2.66182814e-02-9.13553672e-06 1.42154300e-09-8.26043195e-14 2 -2.85086367e+04-9.13944906e+01 2.07381407e-01 8.41209446e-02-6.65883978e-05 3 2.92896506e-08-5.59741936e-12-2.06908022e+04 3.21371013e+01 4 C6H11O1-5 3/28/97 THERMC 6H 11O 1 0G 300.0000 5000.0000 1397.00 1 1.99304018e+01 2.50878998e-02-8.55881248e-06 1.32642733e-09-7.68596330e-14 2 -8.78038881e+03-7.55093580e+01-1.56325018e+00 7.95479798e-02-6.43166449e-05 3 2.89700048e-08-5.62640384e-12-1.63985937e+03 3.86392344e+01 4 C5H91-1 5/14/ 3 THERMC 5H 9 0 0G 300.0000 5000.0000 1393.00 1 1.44574345e+01 2.00072707e-02-6.81378895e-06 1.05474728e-09-6.10665440e-14 2 2.00359765e+04-4.97724588e+01-4.55679040e-01 5.60735195e-02-4.21771130e-05 3 1.81366109e-08-3.48160500e-12 2.51889384e+04 3.00857114e+01 4 C4H7CHO1-1 2/22/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1393.00 1 1.65147810e+01 1.86176385e-02-6.41423546e-06 1.00074444e-09-5.82623258e-14 2 -2.45026034e+04-6.08495398e+01-1.24244719e+00 6.41399633e-02-5.38830255e-05 3 2.50523747e-08-4.98669972e-12-1.86341646e+04 3.33100673e+01 4 C4H7CO1-1 2/22/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1394.00 1 1.59313061e+01 1.65161742e-02-5.67719248e-06 8.84327967e-10-5.14250392e-14 2 -8.35298014e+03-5.69294324e+01 1.15472701e-01 5.87680485e-02-5.18947983e-05 3 2.53186501e-08-5.20506219e-12-3.26717051e+03 2.63849857e+01 4 C4H6CHO1-14 2/22/96 TRMC 5H 7O 1 0G 300.0000 5000.0000 1393.00 1 1.60679011e+01 1.65205734e-02-5.70629506e-06 8.91819150e-10-5.19829213e-14 2 5.71739517e+02-5.55923316e+01-4.20977979e-01 5.93193937e-02-5.09388060e-05 3 2.40664230e-08-4.83255875e-12 5.97132322e+03 3.16605993e+01 4 C4H6CHO1-13 2/22/96 TRMC 5H 7O 1 0G 300.0000 5000.0000 1388.00 1 1.65957737e+01 1.64087623e-02-5.74432894e-06 9.05904509e-10-5.31381430e-14 2 -7.67338858e+03-6.27970337e+01-1.19210005e+00 6.04364321e-02-4.97971421e-05 3 2.24312286e-08-4.36734617e-12-1.65619646e+03 3.20502571e+01 4 NC3H7COC2H5 2/22/96 THRMC 6H 12O 1 0G 300.0000 5000.0000 1378.00 1 1.99627893e+01 2.68078451e-02-9.08527269e-06 1.40288330e-09-8.11176345e-14 2 -4.37087717e+04-7.68544092e+01 8.50755091e-01 7.01899845e-02-4.92404877e-05 3 2.03608383e-08-3.97073318e-12-3.67611683e+04 2.66099922e+01 4 C3H6COC2H5-1 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1380.00 1 1.92391148e+01 2.51659147e-02-8.57508083e-06 1.32847255e-09-7.69774808e-14 2 -1.85278148e+04-7.00460020e+01 1.66361787e+00 6.55460101e-02-4.68525007e-05 3 1.99426619e-08-3.98488059e-12-1.21570875e+04 2.49819947e+01 4 C3H6COC2H5-2 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1369.00 1 1.91083648e+01 2.49004438e-02-8.41246692e-06 1.29661383e-09-7.48882792e-14 2 -1.99242910e+04-6.89451815e+01 2.52469075e+00 5.82158951e-02-3.35072230e-05 3 1.04836277e-08-1.65921915e-12-1.35220298e+04 2.22604547e+01 4 C3H6COC2H5-3 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1386.00 1 1.93409644e+01 2.56927090e-02-8.88365538e-06 1.38917272e-09-8.09982255e-14 2 -2.33272122e+04-7.39302680e+01 3.48453799e-01 7.08696862e-02-5.36330526e-05 3 2.39435341e-08-4.88026145e-12-1.65792496e+04 2.82419269e+01 4 NC3H7COC2H4P 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1380.00 1 1.92391148e+01 2.51659147e-02-8.57508083e-06 1.32847255e-09-7.69774808e-14 2 -1.85278148e+04-7.00460020e+01 1.66361787e+00 6.55460101e-02-4.68525007e-05 3 1.99426619e-08-3.98488059e-12-1.21570875e+04 2.49819947e+01 4 NC3H7COC2H4S 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1386.00 1 1.93409644e+01 2.56927090e-02-8.88365538e-06 1.38917272e-09-8.09982255e-14 2 -2.33272122e+04-7.39302680e+01 3.48453799e-01 7.08696862e-02-5.36330526e-05 3 2.39435341e-08-4.88026145e-12-1.65792496e+04 2.82419269e+01 4 CHCHCHO 5/14/ 3 C 3H 3O 1 0G 300.0000 5000.0000 1394.00 1 1.02666402e+01 7.09612931e-03-2.47272731e-06 3.88739735e-10-2.27523413e-14 2 1.51718163e+04-2.79848271e+01 1.00128697e+00 3.33982185e-02-3.27853030e-05 3 1.69547013e-08-3.56346607e-12 1.79917780e+04 2.02670675e+01 4 C6H101-3 C 6H 10 G 300.0000 5000.0000 1396.00 1 1.72274136e+01 2.28968868e-02-7.84176920e-06 1.21837034e-09-7.07190802e-14 2 -1.63591253e+03-6.62899289e+01-2.83124350e+00 7.62510312e-02-6.60602820e-05 3 3.19849059e-08-6.56601244e-12 4.84814740e+03 3.94748423e+01 4 C6H101-4 C 6H 10 G 300.0000 5000.0000 1396.00 1 1.72274136e+01 2.28968868e-02-7.84176920e-06 1.21837034e-09-7.07190802e-14 2 -1.63591253e+03-6.62899289e+01-2.83124350e+00 7.62510312e-02-6.60602820e-05 3 3.19849059e-08-6.56601244e-12 4.84814740e+03 3.94748423e+01 4 C6H101-5 C 6H 10 G 300.0000 5000.0000 1396.00 1 1.72274136e+01 2.28968868e-02-7.84176920e-06 1.21837034e-09-7.07190802e-14 2 -1.63591253e+03-6.62899289e+01-2.83124350e+00 7.62510312e-02-6.60602820e-05 3 3.19849059e-08-6.56601244e-12 4.84814740e+03 3.94748423e+01 4 C6H102-4 C 6H 10 G 300.0000 5000.0000 1396.00 1 1.72274136e+01 2.28968868e-02-7.84176920e-06 1.21837034e-09-7.07190802e-14 2 -1.63591253e+03-6.62899289e+01-2.83124350e+00 7.62510312e-02-6.60602820e-05 3 3.19849059e-08-6.56601244e-12 4.84814740e+03 3.94748423e+01 4 ETES1 C 6H 10O 1 G 300.0000 5000.0000 1401.00 1 1.91884587e+01 2.42677667e-02-8.33134636e-06 1.29673623e-09-7.53674415e-14 2 -1.54319696e+04-7.73815860e+01-6.39923405e+00 9.21435534e-02-8.06357143e-05 3 3.79917398e-08-7.47148952e-12-7.27933307e+03 5.73532000e+01 4 MVOX C 6H 10O 1 G 300.0000 5000.0000 1401.00 1 1.91884587e+01 2.42677667e-02-8.33134636e-06 1.29673623e-09-7.53674415e-14 2 -1.54319696e+04-7.73815860e+01-6.39923405e+00 9.21435534e-02-8.06357143e-05 3 3.79917398e-08-7.47148952e-12-7.27933307e+03 5.73532000e+01 4 VTHF C 6H 10O 1 G 300.0000 5000.0000 1401.00 1 1.91884587e+01 2.42677667e-02-8.33134636e-06 1.29673623e-09-7.53674415e-14 2 -1.54319696e+04-7.73815860e+01-6.39923405e+00 9.21435534e-02-8.06357143e-05 3 3.79917398e-08-7.47148952e-12-7.27933307e+03 5.73532000e+01 4 EDHF C 6H 10O 1 G 300.0000 5000.0000 1401.00 1 1.91884587e+01 2.42677667e-02-8.33134636e-06 1.29673623e-09-7.53674415e-14 2 -1.54319696e+04-7.73815860e+01-6.39923405e+00 9.21435534e-02-8.06357143e-05 3 3.79917398e-08-7.47148952e-12-7.27933307e+03 5.73532000e+01 4 ETC6 C 6H 12O 1 G 300.0000 5000.0000 1394.00 1 2.03993533e+01 2.76439546e-02-9.53039676e-06 1.48744527e-09-8.66140106e-14 2 -2.87438406e+04-8.21897116e+01-4.03865370e+00 8.89286233e-02-7.20442859e-05 3 3.26509903e-08-6.42415410e-12-2.05227424e+04 4.78921635e+01 4 KES1 C 6H 10O 1 G 300.0000 5000.0000 1388.00 1 1.86909693e+01 2.41939465e-02-8.38233377e-06 1.31252224e-09-7.65989643e-14 2 -2.95549134e+04-7.05651782e+01-2.42573756e-02 6.98307175e-02-5.48386823e-05 3 2.51826656e-08-5.18446282e-12-2.30161838e+04 2.97202895e+01 4 C6H111O2H-3 C 6H 12O 2 G 300.0000 5000.0000 1392.00 1 2.42792322e+01 2.63321024e-02-9.14194501e-06 1.43356642e-09-8.37527455e-14 2 -2.79428858e+04-9.75719905e+01-1.34557261e+00 9.24226167e-02-7.90479624e-05 3 3.75498931e-08-7.63002536e-12-1.94651475e+04 3.82541419e+01 4 C6H111O2H-4 C 6H 12O 2 G 300.0000 5000.0000 1392.00 1 2.41598315e+01 2.64141743e-02-9.16604821e-06 1.43689654e-09-8.39293545e-14 2 -2.84378251e+04-9.66906873e+01-1.19573681e+00 9.10249267e-02-7.65097173e-05 3 3.57634599e-08-7.18992928e-12-1.99852354e+04 3.79597989e+01 4 C6H111O2H-5 C 6H 12O 2 G 300.0000 5000.0000 1392.00 1 2.41598315e+01 2.64141743e-02-9.16604821e-06 1.43689654e-09-8.39293545e-14 2 -2.84378251e+04-9.66906873e+01-1.19573681e+00 9.10249267e-02-7.65097173e-05 3 3.57634599e-08-7.18992928e-12-1.99852354e+04 3.79597989e+01 4 C6H111O2H-6 C 6H 12O 2 G 300.0000 5000.0000 1389.00 1 2.34008570e+01 2.70661621e-02-9.39242872e-06 1.47237442e-09-8.60004431e-14 2 -2.61150540e+04-9.14032990e+01-1.83726333e-01 8.45595788e-02-6.67346588e-05 3 2.98422681e-08-5.90732766e-12-1.79759090e+04 3.47951951e+01 4 C6H112O2H-4 C 6H 12O 2 G 300.0000 5000.0000 1390.00 1 2.38605691e+01 2.67263131e-02-9.28634310e-06 1.45697133e-09-8.51501903e-14 2 -2.93062196e+04-9.56828886e+01-1.32934512e+00 9.14783231e-02-7.79566136e-05 3 3.72399453e-08-7.64928249e-12-2.09165288e+04 3.79777298e+01 4 C6H112O2H-5 C 6H 12O 2 G 300.0000 5000.0000 1390.00 1 2.36804698e+01 2.68319366e-02-9.31237637e-06 1.45995807e-09-8.52807436e-14 2 -2.97736465e+04-9.44343387e+01-6.11774551e-01 8.72948579e-02-7.09881622e-05 3 3.25016536e-08-6.50197800e-12-2.15157208e+04 3.51081769e+01 4 C6H112O2H-6 C 6H 12O 2 G 300.0000 5000.0000 1388.00 1 2.29488499e+01 2.74438680e-02-9.52133333e-06 1.49235013e-09-8.71576434e-14 2 -2.74611761e+04-8.93021152e+01 3.24006957e-01 8.11286255e-02-6.15658776e-05 3 2.67306312e-08-5.23639029e-12-1.94941356e+04 3.23030934e+01 4 C6H113O2H-2 C 6H 12O 2 G 300.0000 5000.0000 1391.00 1 2.39772718e+01 2.66035589e-02-9.23895225e-06 1.44906345e-09-8.46695750e-14 2 -2.91858676e+04-9.62691450e+01-1.83042592e+00 9.31764075e-02-7.97595687e-05 3 3.79800822e-08-7.74178294e-12-2.06416587e+04 4.05360902e+01 4 C6H113O2H-1 C 6H 12O 2 G 300.0000 5000.0000 1387.00 1 2.36308952e+01 2.66617050e-02-9.30222928e-06 1.46355920e-09-8.57041772e-14 2 -2.76122331e+04-9.31875608e+01-6.32318597e-01 8.49222385e-02-6.63930831e-05 3 2.93055961e-08-5.76124503e-12-1.91545686e+04 3.69495729e+01 4 NC6D1KET34 C 6H 10O 3 G 300.0000 5000.0000 1390.00 1 2.57983094e+01 2.28116397e-02-8.00057802e-06 1.26322558e-09-7.41574060e-14 2 -4.35240822e+04-1.03573530e+02-1.44344261e+00 9.46959482e-02-8.54082052e-05 3 4.15995482e-08-8.49796321e-12-3.47080321e+04 4.01892935e+01 4 NC6D1KET35 C 6H 10O 3 G 300.0000 5000.0000 1388.00 1 2.52251243e+01 2.32468040e-02-8.13790138e-06 1.28321972e-09-7.52598084e-14 2 -4.39039305e+04-9.98160369e+01 2.58582501e-01 8.92735802e-02-8.03518878e-05 3 3.98680565e-08-8.35550295e-12-3.57555409e+04 3.20395706e+01 4 NC6D1KET36 C 6H 10O 3 G 300.0000 5000.0000 1386.00 1 2.46079059e+01 2.38193350e-02-8.34639116e-06 1.31693263e-09-7.72708520e-14 2 -4.16635455e+04-9.54050830e+01 1.07722927e+00 8.35172227e-02-7.12502364e-05 3 3.42089305e-08-7.10868918e-12-3.37146281e+04 2.97929729e+01 4 NC6D1KET43 C 6H 10O 3 G 300.0000 5000.0000 1386.00 1 2.48134658e+01 2.36679402e-02-8.29973712e-06 1.31026548e-09-7.69086532e-14 2 -4.14678045e+04-9.64362079e+01 5.08926657e-01 8.55958951e-02-7.35882930e-05 3 3.53233412e-08-7.30367034e-12-3.33062924e+04 3.27450019e+01 4 NC6D1KET45 C 6H 10O 3 G 300.0000 5000.0000 1390.00 1 2.51943125e+01 2.33015181e-02-8.16424277e-06 1.28820260e-09-7.55881804e-14 2 -4.09128608e+04-9.88990467e+01-1.92066284e+00 9.44314314e-02-8.43306654e-05 3 4.08211568e-08-8.31690248e-12-3.20950208e+04 4.43447005e+01 4 NC6D1KET46 C 6H 10O 3 G 300.0000 5000.0000 1386.00 1 2.40046171e+01 2.43109061e-02-8.51114087e-06 1.34213064e-09-7.87165658e-14 2 -3.90529645e+04-9.07325003e+01 6.43110479e-01 8.30852293e-02-6.99337334e-05 3 3.32848481e-08-6.89527821e-12-3.11100655e+04 3.37433392e+01 4 NC6D1KET53 C 6H 10O 3 G 300.0000 5000.0000 1387.00 1 2.47812957e+01 2.36294207e-02-8.27119017e-06 1.30416539e-09-7.64852162e-14 2 -4.13375482e+04-9.63886926e+01 6.78238048e-01 8.57122283e-02-7.44678151e-05 3 3.60756771e-08-7.49051285e-12-3.33062538e+04 3.14921884e+01 4 NC6D1KET54 C 6H 10O 3 G 300.0000 5000.0000 1389.00 1 2.50907419e+01 2.33708456e-02-8.18394462e-06 1.29083225e-09-7.57230478e-14 2 -4.13742378e+04-9.83873995e+01-7.11649505e-01 8.91250758e-02-7.64307285e-05 3 3.58272407e-08-7.17134175e-12-3.28033586e+04 3.85822488e+01 4 NC6D1KET56 C 6H 10O 3 G 300.0000 5000.0000 1381.00 1 2.37618794e+01 2.45055834e-02-8.57519967e-06 1.35176226e-09-7.92610624e-14 2 -3.84976972e+04-8.92990817e+01 3.46141506e+00 7.31649573e-02-5.77149193e-05 3 2.68058804e-08-5.63881468e-12-3.12827992e+04 1.98532523e+01 4 NC6D1KET63 C 6H 10O 3 G 300.0000 5000.0000 1388.00 1 2.50462110e+01 2.33305307e-02-8.15110144e-06 1.28360076e-09-7.52125954e-14 2 -3.75755385e+04-9.71145472e+01 1.13739944e+00 8.55938600e-02-7.51701369e-05 3 3.66611104e-08-7.61879652e-12-2.96835105e+04 2.94825435e+01 4 NC6D1KET64 C 6H 10O 3 G 300.0000 5000.0000 1389.00 1 2.47760251e+01 2.35073590e-02-8.20009414e-06 1.28997010e-09-7.55308784e-14 2 -3.79861843e+04-9.53076550e+01 1.62745929e+00 8.27757406e-02-7.07942119e-05 3 3.38111788e-08-6.94290317e-12-3.02549496e+04 2.76016802e+01 4 NC6D1KET65 C 6H 10O 3 G 300.0000 5000.0000 1391.00 1 2.53952898e+01 2.30473334e-02-8.05738668e-06 1.26947036e-09-7.44126533e-14 2 -3.76272333e+04-9.93442166e+01-6.74575491e-01 9.10758576e-02-8.04165969e-05 3 3.85766805e-08-7.81012967e-12-2.91217556e+04 3.84896310e+01 4 NC6D2KET45 C 6H 10O 3 G 300.0000 5000.0000 1389.00 1 2.53327329e+01 2.32200480e-02-8.14427749e-06 1.28594516e-09-7.54918410e-14 2 -4.48686779e+04-1.01404937e+02-8.92256318e-01 9.10710454e-02-7.99700405e-05 3 3.83460843e-08-7.80189972e-12-3.62327047e+04 3.74954690e+01 4 NC6D2KET46 C 6H 10O 3 G 300.0000 5000.0000 1438.00 1 1.47972337e+01 2.63787617e-02-7.98793527e-06 1.13433394e-09-6.15921181e-14 2 -3.40210948e+04-4.11820440e+01 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-2.43524313e+04-1.10841151e+02 9.05230375e-01 9.84085691e-02-9.01156745e-05 3 4.54245330e-08-9.60685476e-12-1.56183608e+04 3.17903298e+01 4 C6H102OOH5-6O2 C 6H 11O 4 G 300.0000 5000.0000 1387.00 1 2.70950096e+01 2.62942321e-02-9.18082428e-06 1.44512064e-09-8.46497937e-14 2 -2.25346529e+04-1.04616770e+02 1.99118332e+00 9.06397632e-02-7.77680189e-05 3 3.76354142e-08-7.85654152e-12-1.41108398e+04 2.87348320e+01 4 C6H102OOH6-4O2 C 6H 11O 4 G 300.0000 5000.0000 1387.00 1 2.72773170e+01 2.61796496e-02-9.15059792e-06 1.44140203e-09-8.44746905e-14 2 -2.21211191e+04-1.05988374e+02 1.12535330e+00 9.43503786e-02-8.30085606e-05 3 4.08380388e-08-8.57864015e-12-1.34600715e+04 3.25271860e+01 4 C6H102OOH6-5O2 C 6H 11O 4 G 300.0000 5000.0000 1387.00 1 2.70950096e+01 2.62942321e-02-9.18082428e-06 1.44512064e-09-8.46497937e-14 2 -2.25346529e+04-1.04616770e+02 1.99118332e+00 9.06397632e-02-7.77680189e-05 3 3.76354142e-08-7.85654152e-12-1.41108398e+04 2.87348320e+01 4 C6H103OOH2-1O2 C 6H 11O 4 G 300.0000 5000.0000 1389.00 1 2.74462755e+01 2.60361877e-02-9.10124714e-06 1.43372336e-09-8.40289184e-14 2 -2.20203915e+04-1.06881619e+02 7.11994175e-02 9.88182649e-02-8.92478799e-05 3 4.45240265e-08-9.37005898e-12-1.31096983e+04 3.75834892e+01 4 C6H103OOH1-2O2 C 6H 11O 4 G 300.0000 5000.0000 1389.00 1 2.74462755e+01 2.60361877e-02-9.10124714e-06 1.43372336e-09-8.40289184e-14 2 -2.20203915e+04-1.06881619e+02 7.11994175e-02 9.88182649e-02-8.92478799e-05 3 4.45240265e-08-9.37005898e-12-1.31096983e+04 3.75834892e+01 4 C2H3COC3H7 C 6H 10O 1 G 300.0000 5000.0000 1388.00 1 1.86909693e+01 2.41939465e-02-8.38233377e-06 1.31252224e-09-7.65989643e-14 2 -2.95549134e+04-7.05651782e+01-2.42573756e-02 6.98307175e-02-5.48386823e-05 3 2.51826656e-08-5.18446282e-12-2.30161838e+04 2.97202895e+01 4 C5H81-4 3/ 4/ 8 THERMC 5H 8 0 0G 300.0000 5000.0000 1393.00 1 1.35352242e+01 1.85170786e-02-6.26984814e-06 9.66983255e-10-5.58485033e-14 2 6.00992055e+03-4.62445393e+01-1.93072608e+00 5.74437805e-02-4.59073440e-05 3 2.05812270e-08-4.00305895e-12 1.11774683e+04 3.59920922e+01 4 IC5H12 8/ 4/ 4 THERMC 5H 12 0 0G 300.0000 5000.0000 1390.00 1 1.57545572e+01 2.63925840e-02-9.07431001e-06 1.41352979e-09-8.21942294e-14 2 -2.70599801e+04-6.15027364e+01-1.57948471e+00 6.55210828e-02-4.50392484e-05 3 1.82238230e-08-3.48769149e-12-2.07238110e+04 3.24295718e+01 4 AC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1389.00 1 1.53402738e+01 2.42432570e-02-8.34319703e-06 1.30047471e-09-7.56543396e-14 2 -1.99683781e+03-5.64221188e+01-8.06023115e-01 6.08895340e-02-4.23223503e-05 3 1.73438766e-08-3.35112768e-12 3.88939621e+03 3.10115101e+01 4 BC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1378.00 1 1.38978149e+01 2.54963909e-02-8.78132157e-06 1.36944491e-09-7.96929021e-14 2 -3.84983667e+03-4.73774296e+01 2.05205419e+00 4.52744862e-02-1.94299882e-05 3 3.68596955e-09-4.26203509e-13 1.23959075e+03 1.93962442e+01 4 CC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1384.00 1 1.49364897e+01 2.42796217e-02-8.29146318e-06 1.28598475e-09-7.45598253e-14 2 -3.25645747e+03-5.37159758e+01-3.87704897e-01 5.57897049e-02-3.28635777e-05 3 1.05657297e-08-1.66069301e-12 2.58667561e+03 3.02979769e+01 4 DC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1389.00 1 1.53402738e+01 2.42432570e-02-8.34319703e-06 1.30047471e-09-7.56543396e-14 2 -1.99683781e+03-5.64221188e+01-8.06023115e-01 6.08895340e-02-4.23223503e-05 3 1.73438766e-08-3.35112768e-12 3.88939621e+03 3.10115101e+01 4 AC5H10 2/14/95 C 5H 10 0 0G 300.0000 5000.0000 1391.00 1 1.45614087e+01 2.25370538e-02-7.70100060e-06 1.19467870e-09-6.92704808e-14 2 -1.17907682e+04-5.30532622e+01-5.92323541e-01 5.76133767e-02-4.06900753e-05 3 1.67631553e-08-3.19681769e-12-6.36415866e+03 2.87099919e+01 4 BC5H10 2/14/95 C 5H 10 0 0G 300.0000 5000.0000 1385.00 1 1.39945443e+01 2.29446582e-02-7.82594153e-06 1.21260230e-09-7.02518457e-14 2 -1.31494318e+04-5.03981839e+01 9.29711441e-01 4.98444923e-02-2.93652192e-05 3 9.91682945e-09-1.70063558e-12-8.12506926e+03 2.12995129e+01 4 CC5H10 2/14/95 C 5H 10 0 0G 300.0000 5000.0000 1393.00 1 1.46491909e+01 2.25422061e-02-7.72053001e-06 1.19958604e-09-6.96317745e-14 2 -1.11546018e+04-5.42121345e+01-2.18192641e+00 6.32393282e-02-4.78791754e-05 3 2.08451317e-08-4.06315266e-12-5.31440264e+03 3.59620616e+01 4 AC5H9-A1 5/14/ 3 THERMC 5H 9 0 0G 300.0000 5000.0000 1392.00 1 1.44275954e+01 2.01413496e-02-6.88263565e-06 1.06773206e-09-6.19095750e-14 2 1.83280973e+04-5.04328243e+01 3.70280424e-01 5.38733529e-02-4.01112484e-05 3 1.74312664e-08-3.43061214e-12 2.32520786e+04 2.50089217e+01 4 AC5H9-A2 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1395.00 1 1.49750409e+01 2.01225887e-02-6.88146417e-06 1.06814445e-09-6.19590521e-14 2 6.45699982e+03-5.54427400e+01-1.55666576e+00 6.24030311e-02-5.11488566e-05 3 2.37129927e-08-4.75646013e-12 1.19579821e+04 3.23022404e+01 4 AC5H9-C 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1391.00 1 1.41589519e+01 2.08476156e-02-7.13922935e-06 1.10922683e-09-6.43869471e-14 2 5.30455196e+03-5.21168408e+01-8.70083413e-01 5.57073519e-02-3.97442008e-05 3 1.62759229e-08-3.05444132e-12 1.06554905e+04 2.89053277e+01 4 AC5H9-D 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1391.00 1 1.41324788e+01 2.04049427e-02-6.97672248e-06 1.08277127e-09-6.28002919e-14 2 1.32793531e+04-4.78864571e+01 2.24428246e-01 5.27813630e-02-3.76555023e-05 3 1.56642875e-08-3.00442193e-12 1.82426496e+04 2.70927471e+01 4 CC5H9-A 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1393.00 1 1.42217097e+01 2.04119170e-02-6.99754727e-06 1.08794956e-09-6.31801197e-14 2 1.39145590e+04-4.90549414e+01-1.37339142e+00 5.84542782e-02-4.49249181e-05 3 1.98052205e-08-3.88631555e-12 1.92933689e+04 3.43807120e+01 4 CC5H9-B 4/ 7/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1390.00 1 1.37488177e+01 2.12968668e-02-7.31667105e-06 1.13927710e-09-6.62322892e-14 2 4.96293137e+03-5.04767561e+01-1.62840620e+00 5.60516150e-02-3.86670027e-05 3 1.51865218e-08-2.76792512e-12 1.05215903e+04 3.27321883e+01 4 AC5H9O-A2 5/14/ 3 THERMC 5H 9O 1 0G 300.0000 5000.0000 1389.00 1 1.67122590e+01 2.04099546e-02-6.90863640e-06 1.06549630e-09-6.15447496e-14 2 -3.49530703e+03-6.02694348e+01 2.70188546e-01 5.88493959e-02-4.23731126e-05 3 1.69007907e-08-3.00699850e-12 2.25116651e+03 2.81254300e+01 4 AC5H9O-C 5/14/ 3 THERMC 5H 9O 1 0G 300.0000 5000.0000 1395.00 1 1.85587275e+01 1.84066669e-02-6.13501346e-06 9.37166339e-10-5.37971701e-14 2 -6.47598903e+03-7.12120480e+01-1.95228325e+00 7.07817456e-02-5.86499345e-05 3 2.57078283e-08-4.70176389e-12 1.55328820e+02 3.73209012e+01 4 CC5H9O-B 5/14/ 3 THERMC 5H 9O 1 0G 300.0000 5000.0000 1462.00 1 2.16481795e+01 1.80406173e-02-6.50182738e-06 1.04533712e-09-6.21435998e-14 2 -9.81741969e+03-7.07174192e+01 3.36513070e+00 4.24688311e-02-4.27568633e-06 3 -1.28833817e-08 4.60819091e-12-1.84350560e+03 3.36027506e+01 4 AC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.0000 5000.0000 1389.00 1 2.15869555e+01 2.60547378e-02-9.04237813e-06 1.41759111e-09-8.28040951e-14 2 -3.92313979e+04-8.56249987e+01-4.12707157e-01 7.87502351e-02-6.05817370e-05 3 2.65268431e-08-5.19979322e-12-3.15429732e+04 3.24281969e+01 4 BC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.0000 5000.0000 1390.00 1 2.23401401e+01 2.54352935e-02-8.83297551e-06 1.38533290e-09-8.09425716e-14 2 -4.24135132e+04-9.23759742e+01-9.22322650e-01 8.44395262e-02-7.05508035e-05 3 3.32186761e-08-6.77812097e-12-3.45879119e+04 3.13352147e+01 4 CC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.0000 5000.0000 1391.00 1 2.23595350e+01 2.53908945e-02-8.81185324e-06 1.38146156e-09-8.06948998e-14 2 -4.18113225e+04-9.09559995e+01-1.48266685e+00 8.54855220e-02-7.07737447e-05 3 3.27298637e-08-6.55338797e-12-3.37951657e+04 3.58955452e+01 4 DC5H11O2H 7/19/ 0 THERMC 5H 12O 2 0G 300.0000 5000.0000 1389.00 1 2.15869555e+01 2.60547378e-02-9.04237813e-06 1.41759111e-09-8.28040951e-14 2 -3.92313979e+04-8.63144804e+01-4.12707157e-01 7.87502351e-02-6.05817370e-05 3 2.65268431e-08-5.19979322e-12-3.15429732e+04 3.17387152e+01 4 AC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.0000 5000.0000 1387.00 1 1.91305682e+01 2.58734361e-02-8.94564539e-06 1.39874818e-09-8.15496670e-14 2 -2.13145353e+04-7.13508214e+01 5.74329626e-01 6.98680949e-02-5.24382415e-05 3 2.33240585e-08-4.75535880e-12-1.46990381e+04 2.85393870e+01 4 BC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.0000 5000.0000 1389.00 1 1.98915257e+01 2.52452528e-02-8.73274408e-06 1.36589254e-09-7.96512543e-14 2 -2.44984497e+04-7.81443341e+01 1.34876260e-02 7.58006931e-02-6.27580343e-05 3 3.02154752e-08-6.37236194e-12-1.77367962e+04 2.76796300e+01 4 CC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.0000 5000.0000 1390.00 1 1.98562654e+01 2.52285636e-02-8.71686439e-06 1.36237600e-09-7.94050428e-14 2 -2.38619216e+04-7.63815436e+01-5.51887617e-01 7.69826835e-02-6.33979381e-05 3 3.00769990e-08-6.23993119e-12-1.69455579e+04 3.22437037e+01 4 DC5H11O2 7/19/ 0 THERMC 5H 11O 2 0G 300.0000 5000.0000 1387.00 1 1.91305682e+01 2.58734361e-02-8.94564539e-06 1.39874818e-09-8.15496670e-14 2 -2.13145353e+04-7.20403030e+01 5.74329626e-01 6.98680949e-02-5.24382415e-05 3 2.33240585e-08-4.75535880e-12-1.46990381e+04 2.78499054e+01 4 AC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.0000 5000.0000 1393.00 1 1.75869049e+01 2.45367427e-02-8.37092452e-06 1.29739442e-09-7.51829993e-14 2 -1.95704816e+04-6.59759915e+01-1.24589385e+00 6.91180188e-02-5.06453864e-05 3 2.09378030e-08-3.87998938e-12-1.29971892e+04 3.51579822e+01 4 BC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.0000 5000.0000 1394.00 1 1.82069801e+01 2.41156964e-02-8.24753836e-06 1.28029203e-09-7.42707701e-14 2 -2.31091356e+04-7.15227782e+01-1.34876635e+00 7.30154233e-02-5.80871717e-05 3 2.61706128e-08-5.15481274e-12-1.65059612e+04 3.26397269e+01 4 CC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.0000 5000.0000 1394.00 1 1.79690528e+01 2.45047519e-02-8.42212090e-06 1.31167041e-09-7.62623929e-14 2 -2.18856056e+04-6.91452054e+01-1.58430835e+00 7.28901002e-02-5.73977727e-05 3 2.57530033e-08-5.09007305e-12-1.52125062e+04 3.52200336e+01 4 DC5H11O 4/ 7/97 THERMC 5H 11O 1 0G 300.0000 5000.0000 1393.00 1 1.75869049e+01 2.45367427e-02-8.37092452e-06 1.29739442e-09-7.51829993e-14 2 -1.95704816e+04-6.66654731e+01-1.24589385e+00 6.91180188e-02-5.06453864e-05 3 2.09378030e-08-3.87998938e-12-1.29971892e+04 3.44685006e+01 4 AC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1388.00 1 2.11791318e+01 2.38906528e-02-8.30419248e-06 1.30323110e-09-7.61802631e-14 2 -1.41679438e+04-8.05741386e+01 3.93109594e-01 7.39880461e-02-5.76612250e-05 3 2.55046112e-08-5.02723571e-12-6.93514171e+03 3.08568722e+01 4 AC5H10OOH-B 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1396.00 1 1.83971804e+01 2.51599624e-02-8.49818403e-06 1.30795807e-09-7.54165072e-14 2 -1.43131142e+04-6.12317855e+01 3.32162563e+00 5.90275010e-02-3.86592525e-05 3 1.45485715e-08-2.56281996e-12-8.85091606e+03 2.04004107e+01 4 AC5H10OOH-C 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1379.00 1 2.12375512e+01 2.31283536e-02-7.89600878e-06 1.22535095e-09-7.11019018e-14 2 -1.55840469e+04-8.04144675e+01 6.19942891e-01 6.93739161e-02-4.81007281e-05 3 1.80279171e-08-3.04726247e-12-8.20202754e+03 3.10905626e+01 4 AC5H10OOH-D 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1388.00 1 2.11791318e+01 2.38906528e-02-8.30419248e-06 1.30323110e-09-7.61802631e-14 2 -1.41679438e+04-8.05741386e+01 3.93109594e-01 7.39880461e-02-5.76612250e-05 3 2.55046112e-08-5.02723571e-12-6.93514171e+03 3.08568722e+01 4 BC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1390.00 1 2.19189546e+01 2.32732351e-02-8.09345412e-06 1.27055477e-09-7.42859874e-14 2 -1.73453376e+04-8.72467854e+01 2.34498909e-02 7.89383778e-02-6.63902381e-05 3 3.13302193e-08-6.38893048e-12-9.99831497e+03 2.91388907e+01 4 BC5H10OOH-C 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1387.00 1 2.14861952e+01 2.33370570e-02-8.05076237e-06 1.25735030e-09-7.32587422e-14 2 -1.85834360e+04-8.43563017e+01 5.47184622e-01 7.33675650e-02-5.61453853e-05 3 2.39780803e-08-4.54660429e-12-1.13174183e+04 2.79349781e+01 4 BC5H10OOH-D 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1390.00 1 2.19189546e+01 2.32732351e-02-8.09345412e-06 1.27055477e-09-7.42859874e-14 2 -1.73453376e+04-8.72467854e+01 2.34498909e-02 7.89383778e-02-6.63902381e-05 3 3.13302193e-08-6.38893048e-12-9.99831497e+03 2.91388907e+01 4 CC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1391.00 1 2.19354136e+01 2.32306883e-02-8.07273382e-06 1.26671388e-09-7.40385402e-14 2 -1.67355140e+04-8.57975318e+01-6.30400716e-01 8.05452680e-02-6.76121568e-05 3 3.15454994e-08-6.33778208e-12-9.19510030e+03 3.41032866e+01 4 CC5H10OOH-B 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1383.00 1 2.05037039e+01 2.44417681e-02-8.48903925e-06 1.33151458e-09-7.78033634e-14 2 -1.85634193e+04-7.74351263e+01 2.99744008e+00 6.17498544e-02-3.99139306e-05 3 1.47313475e-08-2.65563037e-12-1.19696479e+04 1.81686626e+01 4 CC5H10OOH-D 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1391.00 1 2.19354136e+01 2.32306883e-02-8.07273382e-06 1.26671388e-09-7.40385402e-14 2 -1.67355140e+04-8.57975318e+01-6.30400716e-01 8.05452680e-02-6.76121568e-05 3 3.15454994e-08-6.33778208e-12-9.19510030e+03 3.41032866e+01 4 DC5H10OOH-A 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1388.00 1 2.11791318e+01 2.38906528e-02-8.30419248e-06 1.30323110e-09-7.61802631e-14 2 -1.41679438e+04-8.16712700e+01 3.93109594e-01 7.39880461e-02-5.76612250e-05 3 2.55046112e-08-5.02723571e-12-6.93514171e+03 2.97597408e+01 4 DC5H10OOH-B 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1378.00 1 1.97619617e+01 2.51237235e-02-8.73586300e-06 1.37125464e-09-8.01665463e-14 2 -1.60299472e+04-7.30470531e+01 3.60567989e+00 5.67909847e-02-3.22672502e-05 3 1.01914298e-08-1.71012733e-12-9.63934537e+03 1.62172016e+01 4 DC5H10OOH-C 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1379.00 1 2.12375512e+01 2.31283536e-02-7.89600878e-06 1.22535095e-09-7.11019018e-14 2 -1.55840469e+04-8.11039491e+01 6.19942891e-01 6.93739161e-02-4.81007281e-05 3 1.80279171e-08-3.04726247e-12-8.20202754e+03 3.04010810e+01 4 A-AC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1371.00 1 1.80576624e+01 2.21664890e-02-7.87642300e-06 1.25444585e-09-7.40861328e-14 2 -2.50221939e+04-7.53554890e+01-3.57838040e+00 6.86320858e-02-4.74149237e-05 3 1.83548549e-08-3.41897172e-12-1.69288400e+04 4.26480362e+01 4 A-BC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1382.00 1 1.86652877e+01 2.13598734e-02-7.52975880e-06 1.19287800e-09-7.01891378e-14 2 -2.77333744e+04-7.75547799e+01-3.30787996e+00 7.62559944e-02-6.46592174e-05 3 3.09404651e-08-6.45746006e-12-2.02138679e+04 3.96813447e+01 4 A-CC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1373.00 1 1.87148832e+01 2.16122625e-02-7.68638433e-06 1.22492227e-09-7.23734176e-14 2 -2.74203575e+04-7.86496924e+01-3.97142805e+00 7.19714633e-02-5.23111225e-05 3 2.11464265e-08-3.98263938e-12-1.91213657e+04 4.44583215e+01 4 A-DC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1368.00 1 1.73081373e+01 2.28491250e-02-8.12276465e-06 1.29408434e-09-7.64438847e-14 2 -3.51933167e+04-7.10467657e+01-4.59148110e+00 6.84200893e-02-4.48984606e-05 3 1.62235622e-08-2.88597470e-12-2.68721742e+04 4.88826067e+01 4 B-CC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1385.00 1 1.92598600e+01 2.08099611e-02-7.32974772e-06 1.16055317e-09-6.82613470e-14 2 -3.00662222e+04-8.17795821e+01-3.93403397e+00 8.10405477e-02-7.21577496e-05 3 3.54984335e-08-7.43257957e-12-2.23814272e+04 4.11158543e+01 4 B-DC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1373.00 1 1.87653667e+01 2.15362849e-02-7.65224713e-06 1.21871934e-09-7.19753198e-14 2 -2.85611428e+04-8.06291591e+01-3.19619872e+00 7.03850010e-02-5.13350575e-05 3 2.10518994e-08-4.03792897e-12-2.05133437e+04 3.85544897e+01 4 C-DC5H10O 1/22/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1383.00 1 1.85201884e+01 2.14489156e-02-7.55266486e-06 1.19562146e-09-7.03146400e-14 2 -2.64926491e+04-7.62725892e+01-3.69386455e+00 7.66683571e-02-6.43279818e-05 3 3.02808987e-08-6.22022598e-12-1.88959093e+04 4.22866902e+01 4 AC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1386.00 1 2.50520466e+01 2.55131460e-02-8.91854409e-06 1.40493521e-09-8.23407399e-14 2 -3.33495563e+04-9.75677620e+01 1.47904645e+00 8.45569190e-02-7.04935475e-05 3 3.34645215e-08-6.94777379e-12-2.52948946e+04 2.81523576e+01 4 AC5H10OOH-BO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.57755531e+01 2.48880708e-02-8.70043618e-06 1.37061896e-09-8.03312626e-14 2 -3.65165378e+04-1.02758938e+02 1.41320091e+00 8.80395394e-02-7.68832845e-05 3 3.77283845e-08-7.93599707e-12-2.84011778e+04 2.64239612e+01 4 AC5H10OOH-CO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1388.00 1 2.56730505e+01 2.49303331e-02-8.70500104e-06 1.37028133e-09-8.02689026e-14 2 -3.58459179e+04-1.01283280e+02 8.63464898e-01 8.92416050e-02-7.77625088e-05 3 3.78434636e-08-7.87831102e-12-2.76138443e+04 3.02120124e+01 4 AC5H10OOH-DO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1386.00 1 2.50520466e+01 2.55131460e-02-8.91854409e-06 1.40493521e-09-8.23407399e-14 2 -3.33495563e+04-9.68782803e+01 1.47904645e+00 8.45569190e-02-7.04935475e-05 3 3.34645215e-08-6.94777379e-12-2.52948946e+04 2.88418393e+01 4 BC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.57755531e+01 2.48880708e-02-8.70043618e-06 1.37061896e-09-8.03312626e-14 2 -3.65165378e+04-1.02758938e+02 1.41320091e+00 8.80395394e-02-7.68832845e-05 3 3.77283845e-08-7.93599707e-12-2.84011778e+04 2.64239612e+01 4 BC5H10OOH-CO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1390.00 1 2.63952675e+01 2.43055030e-02-8.48674313e-06 1.33591350e-09-7.82551637e-14 2 -3.90152147e+04-1.07161672e+02 4.64162518e-01 9.41865603e-02-8.63742772e-05 3 4.35211304e-08-9.18899328e-12-3.06687104e+04 2.93499948e+01 4 BC5H10OOH-DO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.57755531e+01 2.48880708e-02-8.70043618e-06 1.37061896e-09-8.03312626e-14 2 -3.65165378e+04-1.03448419e+02 1.41320091e+00 8.80395394e-02-7.68832845e-05 3 3.77283845e-08-7.93599707e-12-2.84011778e+04 2.57344796e+01 4 CC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1388.00 1 2.56730505e+01 2.49303331e-02-8.70500104e-06 1.37028133e-09-8.02689026e-14 2 -3.58459179e+04-1.01283280e+02 8.63464898e-01 8.92416050e-02-7.77625088e-05 3 3.78434636e-08-7.87831102e-12-2.76138443e+04 3.02120124e+01 4 CC5H10OOH-BO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1390.00 1 2.63952675e+01 2.43055030e-02-8.48674313e-06 1.33591350e-09-7.82551637e-14 2 -3.90152147e+04-1.07161672e+02 4.64162518e-01 9.41865603e-02-8.63742772e-05 3 4.35211304e-08-9.18899328e-12-3.06687104e+04 2.93499948e+01 4 CC5H10OOH-DO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1388.00 1 2.56730505e+01 2.49303331e-02-8.70500104e-06 1.37028133e-09-8.02689026e-14 2 -3.58459179e+04-1.01283280e+02 8.63464898e-01 8.92416050e-02-7.77625088e-05 3 3.78434636e-08-7.87831102e-12-2.76138443e+04 3.02120124e+01 4 DC5H10OOH-AO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1386.00 1 2.50520466e+01 2.55131460e-02-8.91854409e-06 1.40493521e-09-8.23407399e-14 2 -3.33495563e+04-9.68782803e+01 1.47904645e+00 8.45569190e-02-7.04935475e-05 3 3.34645215e-08-6.94777379e-12-2.52948946e+04 2.88418393e+01 4 DC5H10OOH-BO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1387.00 1 2.57755531e+01 2.48880708e-02-8.70043618e-06 1.37061896e-09-8.03312626e-14 2 -3.65165378e+04-1.03448419e+02 1.41320091e+00 8.80395394e-02-7.68832845e-05 3 3.77283845e-08-7.93599707e-12-2.84011778e+04 2.57344796e+01 4 DC5H10OOH-CO2 7/19/ 0 TMC 5H 11O 4 0G 300.0000 5000.0000 1388.00 1 2.56730505e+01 2.49303331e-02-8.70500104e-06 1.37028133e-09-8.02689026e-14 2 -3.58459179e+04-1.01283280e+02 8.63464898e-01 8.92416050e-02-7.77625088e-05 3 3.78434636e-08-7.87831102e-12-2.76138443e+04 3.02120124e+01 4 IC5KETAA 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1388.00 1 2.27018201e+01 2.27623983e-02-7.95317701e-06 1.25254826e-09-7.33995564e-14 2 -4.87914107e+04-8.74314724e+01 9.27804145e-02 7.82687869e-02-6.33801564e-05 3 2.85043852e-08-5.60310505e-12-4.10624564e+04 3.33474306e+01 4 IC5KETAB 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1389.00 1 2.40842006e+01 2.16434154e-02-7.58091068e-06 1.19599268e-09-7.01732329e-14 2 -5.18653514e+04-9.75480436e+01 6.28226952e-01 7.78396152e-02-6.10915218e-05 3 2.58739382e-08-4.76998784e-12-4.38002468e+04 2.80796914e+01 4 IC5KETAC 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1391.00 1 2.34683563e+01 2.20730486e-02-7.70715635e-06 1.21330946e-09-7.10816173e-14 2 -5.13652429e+04-9.20243598e+01-2.23705138e-01 8.13455552e-02-6.75941740e-05 3 3.06299729e-08-5.96203002e-12-4.34219326e+04 3.40653159e+01 4 IC5KETAD 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1388.00 1 2.27018201e+01 2.27623983e-02-7.95317701e-06 1.25254826e-09-7.33995564e-14 2 -4.87914107e+04-8.74314724e+01 9.27804145e-02 7.82687869e-02-6.33801564e-05 3 2.85043852e-08-5.60310505e-12-4.10624564e+04 3.33474306e+01 4 IC5KETCA 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1386.00 1 2.23936225e+01 2.30830714e-02-8.07739965e-06 1.27340111e-09-7.46743612e-14 2 -5.25330679e+04-8.64471279e+01 7.40692740e-02 7.62693480e-02-5.93434760e-05 3 2.57216711e-08-4.95465471e-12-4.47478560e+04 3.33454729e+01 4 IC5KETCB 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1387.00 1 2.38381050e+01 2.19492828e-02-7.70845830e-06 1.21824528e-09-7.15652458e-14 2 -5.56409105e+04-9.76367511e+01-9.26104709e-02 7.91980518e-02-6.23563842e-05 3 2.66170117e-08-4.96608002e-12-4.73852705e+04 3.05987712e+01 4 IC5KETCD 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1383.00 1 2.22445195e+01 2.32429375e-02-8.13939936e-06 1.28375132e-09-7.53028874e-14 2 -5.24878568e+04-8.53326267e+01 1.81210091e+00 7.10669725e-02-5.40803176e-05 3 2.36064640e-08-4.69118957e-12-4.52030729e+04 2.47681620e+01 4 IC5KETDA 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1385.00 1 2.23748861e+01 2.30141606e-02-8.03341343e-06 1.26431338e-09-7.40516168e-14 2 -4.87661789e+04-8.53282080e+01 1.98394441e+00 7.23325036e-02-5.73125234e-05 3 2.59949430e-08-5.26198031e-12-4.16477961e+04 2.39984596e+01 4 IC5KETDB 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1386.00 1 2.30963831e+01 2.24125490e-02-7.82820477e-06 1.23251010e-09-7.22086331e-14 2 -5.19349928e+04-9.18943733e+01 1.87691204e+00 7.60906040e-02-6.42346071e-05 3 3.06775673e-08-6.36432201e-12-4.47501110e+04 2.10638292e+01 4 IC5KETDC 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1390.00 1 2.35511020e+01 2.20370496e-02-7.70229869e-06 1.21333612e-09-7.11148382e-14 2 -5.10949440e+04-9.29738051e+01-4.17804600e-01 8.29135128e-02-7.05116188e-05 3 3.27623197e-08-6.50668209e-12-4.31250579e+04 3.43124066e+01 4 AC5H10OH 6/25/99 THERMC 5H 11O 1 0G 300.0000 5000.0000 1381.00 1 1.57053942e+01 2.55921700e-02-8.70811298e-06 1.34716260e-09-7.79628294e-14 2 -2.25306525e+04-5.15466949e+01 2.85757177e+00 4.85805368e-02-2.23804023e-05 3 4.49889530e-09-3.87221504e-13-1.72609933e+04 2.01552043e+01 4 BC5H10OH 6/25/99 THERMC 5H 11O 1 0G 300.0000 5000.0000 1387.00 1 1.61657616e+01 2.54934476e-02-8.73565162e-06 1.35763483e-09-7.88148800e-14 2 -2.48220188e+04-5.58274109e+01 2.19983074e+00 5.41290325e-02-3.18867756e-05 3 1.10215395e-08-1.97027883e-12-1.94036956e+04 2.09205603e+01 4 CC5H10OH 6/25/99 THERMC 5H 11O 1 0G 300.0000 5000.0000 1374.00 1 1.78146436e+01 2.31777549e-02-7.76038398e-06 1.18900766e-09-6.83934164e-14 2 -2.24486316e+04-6.48544036e+01 9.67356518e-03 6.02284829e-02-3.57576242e-05 3 1.05212975e-08-1.31831842e-12-1.58415177e+04 3.23596047e+01 4 AO2C5H10OH 6/25/99 THERMC 5H 11O 3 0G 300.0000 5000.0000 1398.00 1 2.08105945e+01 2.58369830e-02-8.76925603e-06 1.35402215e-09-7.82456030e-14 2 -4.24541075e+04-7.60780798e+01 1.95532659e+00 7.48853237e-02-6.13115328e-05 3 2.88367985e-08-5.86810026e-12-3.62320500e+04 2.37605219e+01 4 BO2C5H10OH 6/25/99 THERMC 5H 11O 3 0G 300.0000 5000.0000 1400.00 1 2.16076261e+01 2.51801329e-02-8.54720351e-06 1.31983972e-09-7.62748525e-14 2 -4.48618657e+04-8.15401090e+01 1.07000641e+00 8.08055752e-02-7.01785982e-05 3 3.41619272e-08-7.01587142e-12-3.83269270e+04 2.63874540e+01 4 CO2C5H10OH 6/25/99 THERMC 5H 11O 3 0G 300.0000 5000.0000 1397.00 1 2.08408570e+01 2.59206320e-02-8.82353537e-06 1.36524107e-09-7.90130782e-14 2 -4.19685016e+04-7.66154913e+01 1.49567071e+00 7.44861068e-02-5.86522517e-05 3 2.64295158e-08-5.22234125e-12-3.54420591e+04 2.63801125e+01 4 IC3H5COCH3 11/14/95 THERC 5H 8O 1 0G 300.0000 5000.0000 1389.00 1 1.57135746e+01 1.94104717e-02-6.71160542e-06 1.04957119e-09-6.12003730e-14 2 -2.64975760e+04-5.72151491e+01 4.96676099e-01 5.50760872e-02-4.06999266e-05 3 1.72438031e-08-3.32425393e-12-2.11012820e+04 2.47177299e+01 4 IC3H5COCH2 11/14/95 THERC 5H 7O 1 0G 300.0000 5000.0000 1391.00 1 1.70407321e+01 1.59214786e-02-5.55063598e-06 8.72891334e-10-5.10998924e-14 2 -5.40847387e+03-6.39104966e+01 2.22142599e-01 5.87786671e-02-4.99716261e-05 3 2.32885610e-08-4.63910210e-12 1.74970872e+02 2.53631494e+01 4 AC3H4COCH3 2/22/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1389.00 1 1.56880361e+01 1.74310098e-02-6.05676510e-06 9.50342951e-10-5.55458474e-14 2 -8.65266314e+03-5.67149031e+01-7.25390296e-01 5.83604343e-02-4.78145667e-05 3 2.19327435e-08-4.38153519e-12-3.08849068e+03 3.07719197e+01 4 IC6H14 7/19/ 0 THERMC 6H 14 0 0G 300.0000 5000.0000 1392.00 1 1.89218968e+01 3.07714665e-02-1.05523935e-05 1.64094307e-09-9.53043216e-14 2 -3.13281434e+04-7.68725926e+01-1.89937098e+00 7.79047401e-02-5.34276000e-05 3 2.11468962e-08-3.91002113e-12-2.37826803e+04 3.58147358e+01 4 AC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1392.00 1 1.85074039e+01 2.86218271e-02-9.82105187e-06 1.52783880e-09-8.87609934e-14 2 -6.26463529e+03-7.17897613e+01-1.10688495e+00 7.31811486e-02-5.05480520e-05 3 2.01424711e-08-3.73899537e-12 8.27737003e+02 3.43095205e+01 4 BC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1381.00 1 1.69842194e+01 2.99437985e-02-1.02829375e-05 1.60051599e-09-9.30152113e-14 2 -8.08432513e+03-6.29661519e+01 2.09484360e+00 5.60065733e-02-2.54384171e-05 3 5.16469860e-09-5.29245099e-13-1.87232982e+03 2.04192665e+01 4 CC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1385.00 1 1.82241682e+01 2.84884867e-02-9.69800610e-06 1.50105127e-09-8.69082914e-14 2 -7.57528955e+03-6.97699992e+01-6.82922582e-01 6.80508538e-02-4.09867863e-05 3 1.32765918e-08-2.03072309e-12-4.76051860e+02 3.35691002e+01 4 DC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1385.00 1 1.82241682e+01 2.84884867e-02-9.69800610e-06 1.50105127e-09-8.69082914e-14 2 -7.57528955e+03-6.97699992e+01-6.82922582e-01 6.80508538e-02-4.09867863e-05 3 1.32765918e-08-2.03072309e-12-4.76051860e+02 3.35691002e+01 4 EC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1392.00 1 1.85074039e+01 2.86218271e-02-9.82105187e-06 1.52783880e-09-8.87609934e-14 2 -6.26463529e+03-7.17897613e+01-1.10688495e+00 7.31811486e-02-5.05480520e-05 3 2.01424711e-08-3.73899537e-12 8.27737003e+02 3.43095205e+01 4 AC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.0000 5000.0000 1391.00 1 1.77919314e+01 2.68882975e-02-9.17597563e-06 1.42232776e-09-8.24250741e-14 2 -1.58977229e+04-6.89595845e+01-8.75681185e-01 7.01559732e-02-4.96327567e-05 3 2.02497733e-08-3.79826268e-12-9.24586503e+03 3.16936004e+01 4 BC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.0000 5000.0000 1389.00 1 1.73194968e+01 2.73143455e-02-9.32825404e-06 1.44663699e-09-8.38619242e-14 2 -1.72428744e+04-6.67575038e+01-3.47866325e-01 6.66401498e-02-4.43976501e-05 3 1.71637234e-08-3.15056534e-12-1.07670453e+04 2.91101417e+01 4 CC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.0000 5000.0000 1393.00 1 1.72953713e+01 2.74904466e-02-9.42213872e-06 1.46464229e-09-8.50427572e-14 2 -1.65568206e+04-6.72716367e+01-1.69383821e+00 7.12795060e-02-5.02033915e-05 3 2.04174279e-08-3.83111655e-12-9.75675212e+03 3.52137095e+01 4 DC6H12 4/ 7/97 THERMC 6H 12 0 0G 300.0000 5000.0000 1393.00 1 1.78016854e+01 2.70503442e-02-9.26880883e-06 1.44060726e-09-8.36409602e-14 2 -1.53774060e+04-6.97228701e+01-2.30281806e+00 7.49009260e-02-5.54381874e-05 3 2.35005697e-08-4.48991069e-12-8.34187306e+03 3.82281722e+01 4 AC6H11-A2 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1395.00 1 1.82026718e+01 2.44812048e-02-8.35996384e-06 1.29643763e-09-7.51546950e-14 2 2.35097523e+03-7.13341628e+01-1.87371403e+00 7.50998402e-02-6.03225017e-05 3 2.73424916e-08-5.38898934e-12 9.08123917e+03 3.54408907e+01 4 AC6H11-C 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1391.00 1 1.73925747e+01 2.51953840e-02-8.61283764e-06 1.33664647e-09-7.75275756e-14 2 1.19627510e+03-6.80413788e+01-1.17344573e+00 6.83389755e-02-4.88181754e-05 3 1.98439669e-08-3.67421052e-12 7.77679940e+03 3.19815245e+01 4 AC6H11-D 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1382.00 1 1.71796835e+01 2.44946059e-02-8.27862597e-06 1.27550777e-09-7.36249381e-14 2 7.80635249e+03-6.23661978e+01 4.50954756e-01 5.96823843e-02-3.61302798e-05 3 1.16620637e-08-1.75181246e-12 1.40474122e+04 2.89637395e+01 4 AC6H11-E 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1391.00 1 1.73660563e+01 2.47543194e-02-8.45119156e-06 1.31035396e-09-7.59514758e-14 2 9.17136367e+03-6.38106211e+01-9.16233384e-02 6.54806891e-02-4.68414031e-05 3 1.93084996e-08-3.64262066e-12 1.53655800e+04 3.02253962e+01 4 BC6H11-E 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1389.00 1 1.68955004e+01 2.51788753e-02-8.60298588e-06 1.33459142e-09-7.73843192e-14 2 7.82529865e+03-6.16197460e+01 4.31328594e-01 6.19855733e-02-4.16317837e-05 3 1.62346149e-08-2.99674101e-12 1.38451311e+04 2.76644990e+01 4 CC6H11-A 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1393.00 1 1.68710453e+01 2.53547639e-02-8.69680328e-06 1.35259585e-09-7.85657713e-14 2 8.50448125e+03-6.21478883e+01-1.04739560e+00 6.71136527e-02-4.81244287e-05 3 1.99160868e-08-3.77606618e-12 1.48785538e+04 3.44056755e+01 4 CC6H11-B 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1381.00 1 1.53461030e+01 2.66654957e-02-9.15202584e-06 1.42394531e-09-8.27311194e-14 2 6.59026647e+03-5.26056635e+01 2.25729445e+00 4.95016339e-02-2.23501782e-05 3 4.49447053e-09-4.57742049e-13 1.20615295e+04 2.07278850e+01 4 DC6H11-A 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1393.00 1 1.73789104e+01 2.49141494e-02-8.54341211e-06 1.32855830e-09-7.71639569e-14 2 9.69038335e+03-6.45911978e+01-1.49265224e+00 7.01242130e-02-5.25065602e-05 3 2.24787348e-08-4.31786674e-12 1.62652083e+04 3.66359008e+01 4 DC6H11-B 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1383.00 1 1.58183507e+01 2.62602278e-02-9.01167647e-06 1.40200988e-09-8.14536996e-14 2 7.79337816e+03-5.48387602e+01 1.88737316e+00 5.21347387e-02-2.61144024e-05 3 6.61700355e-09-8.84058132e-13 1.34378517e+04 2.26176018e+01 4 DC6H11-C 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1393.00 1 1.74048492e+01 2.53567462e-02-8.70574279e-06 1.35496821e-09-7.87471431e-14 2 1.71596565e+03-6.88184086e+01-2.59160530e+00 7.30614951e-02-5.46008563e-05 3 2.30867251e-08-4.36549157e-12 8.67892674e+03 3.84706954e+01 4 AC6H11O-C 5/14/ 3 THERMC 6H 11O 1 0G 300.0000 5000.0000 1392.00 1 2.17573736e+01 2.26921265e-02-7.57004024e-06 1.15702912e-09-6.64430705e-14 2 -1.05653579e+04-8.69018720e+01-2.11497879e+00 8.28143420e-02-6.71692870e-05 3 2.91063383e-08-5.31878150e-12-2.74324123e+03 3.97510840e+01 4 CC6H11O-B 5/14/ 3 THERMC 6H 11O 1 0G 300.0000 5000.0000 1393.00 1 2.11955687e+01 2.29701980e-02-7.62227789e-06 1.16065576e-09-6.64715930e-14 2 -1.29216395e+04-8.49635563e+01-1.47141318e+00 8.02778680e-02-6.48153186e-05 3 2.82188511e-08-5.19799857e-12-5.50378809e+03 3.52387483e+01 4 DC6H11O-C 5/14/ 3 THERMC 6H 11O 1 0G 300.0000 5000.0000 1393.00 1 2.13806432e+01 2.30378839e-02-7.69358197e-06 1.17665055e-09-6.75959737e-14 2 -9.82606371e+03-8.52752554e+01-3.10393840e+00 8.60984206e-02-7.21107390e-05 3 3.24024515e-08-6.11360600e-12-1.91263027e+03 4.41860752e+01 4 AC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1388.00 1 2.22886148e+01 3.03910052e-02-1.05002476e-05 1.64107136e-09-9.56472508e-14 2 -2.54103442e+04-8.68882237e+01 2.99740402e-01 8.24439566e-02-6.16259996e-05 3 2.71451592e-08-5.47440374e-12-1.75832726e+04 3.14713060e+01 4 BC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1389.00 1 2.30458742e+01 2.97706645e-02-1.02910769e-05 1.60890361e-09-9.37931246e-14 2 -2.85933923e+04-9.36617971e+01-2.31111039e-01 8.82597313e-02-7.18071921e-05 3 3.39813924e-08-7.08753469e-12-2.06258959e+04 3.04698297e+01 4 CC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1391.00 1 2.30489841e+01 2.97247024e-02-1.02659461e-05 1.60404020e-09-9.34727049e-14 2 -2.79759829e+04-9.21280015e+01-7.69736514e-01 8.92662071e-02-7.20152286e-05 3 3.34694596e-08-6.84849412e-12-1.98379635e+04 3.49177044e+01 4 DC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1391.00 1 2.30489841e+01 2.97247024e-02-1.02659461e-05 1.60404020e-09-9.34727049e-14 2 -2.79759829e+04-9.21280015e+01-7.69736514e-01 8.92662071e-02-7.20152286e-05 3 3.34694596e-08-6.84849412e-12-1.98379635e+04 3.49177044e+01 4 EC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1388.00 1 2.22886148e+01 3.03910052e-02-1.05002476e-05 1.64107136e-09-9.56472508e-14 2 -2.54103442e+04-8.68882237e+01 2.99740402e-01 8.24439566e-02-6.16259996e-05 3 2.71451592e-08-5.47440374e-12-1.75832726e+04 3.14713060e+01 4 AC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1389.00 1 2.47461206e+01 3.05690659e-02-1.05953546e-05 1.65960757e-09-9.68816760e-14 2 -4.33255123e+04-1.01163719e+02-6.44643272e-01 9.11695456e-02-6.95690691e-05 3 3.02432856e-08-5.90068678e-12-3.44345382e+04 3.51557545e+01 4 BC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1390.00 1 2.54796383e+01 2.99619917e-02-1.03892563e-05 1.62776466e-09-9.50402644e-14 2 -4.65005613e+04-1.07800296e+02-9.63155485e-01 9.59094774e-02-7.80164271e-05 3 3.59197001e-08-7.23587969e-12-3.75058147e+04 3.31978358e+01 4 CC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1391.00 1 2.55587244e+01 2.98820202e-02-1.03593281e-05 1.62288897e-09-9.47493818e-14 2 -4.59283337e+04-1.06740747e+02-1.70017587e+00 9.77767279e-02-7.94169678e-05 3 3.61576825e-08-7.17637513e-12-3.66878466e+04 3.85661926e+01 4 DC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1391.00 1 2.55587244e+01 2.98820202e-02-1.03593281e-05 1.62288897e-09-9.47493818e-14 2 -4.59283337e+04-1.06740747e+02-1.70017587e+00 9.77767279e-02-7.94169678e-05 3 3.61576825e-08-7.17637513e-12-3.66878466e+04 3.85661926e+01 4 EC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1389.00 1 2.47461206e+01 3.05690659e-02-1.05953546e-05 1.65960757e-09-9.68816760e-14 2 -4.33255123e+04-1.01853201e+02-6.44643272e-01 9.11695456e-02-6.95690691e-05 3 3.02432856e-08-5.90068678e-12-3.44345382e+04 3.44662728e+01 4 AC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.07407512e+01 2.90441793e-02-9.91898396e-06 1.53837787e-09-8.91896638e-14 2 -2.36598124e+04-8.14774110e+01-1.49078619e+00 8.15838030e-02-5.96940332e-05 3 2.46733759e-08-4.57886515e-12-1.58864551e+04 3.79480513e+01 4 BC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1394.00 1 2.13738380e+01 2.86079827e-02-9.78961483e-06 1.52027435e-09-8.82167790e-14 2 -2.72044131e+04-8.70999907e+01-1.59580718e+00 8.54759426e-02-6.70916731e-05 3 2.98566617e-08-5.83809243e-12-1.93946525e+04 3.54420495e+01 4 CC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.11457388e+01 2.89417927e-02-9.93473533e-06 1.54596808e-09-8.98334011e-14 2 -2.59679226e+04-8.47410393e+01-1.81244213e+00 8.52754793e-02-6.61957073e-05 3 2.91905056e-08-5.68495897e-12-1.81048750e+04 3.79298592e+01 4 DC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.11457388e+01 2.89417927e-02-9.93473533e-06 1.54596808e-09-8.98334011e-14 2 -2.59679226e+04-8.47410393e+01-1.81244213e+00 8.52754793e-02-6.61957073e-05 3 2.91905056e-08-5.68495897e-12-1.81048750e+04 3.79298592e+01 4 EC6H13O 4/ 7/97 THERMC 6H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.07407512e+01 2.90441793e-02-9.91898396e-06 1.53837787e-09-8.91896638e-14 2 -2.36598124e+04-8.21668926e+01-1.49078619e+00 8.15838030e-02-5.96940332e-05 3 2.46733759e-08-4.57886515e-12-1.58864551e+04 3.72585697e+01 4 AC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1391.00 1 2.38246434e+01 2.90450598e-02-1.00277448e-05 1.56653591e-09-9.12780750e-14 2 -1.80148514e+04-9.35321390e+01 1.04936467e-01 8.68289153e-02-6.76281361e-05 3 3.00446698e-08-5.92880807e-12-9.82155610e+03 3.34081633e+01 4 AC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1383.00 1 2.22730342e+01 3.03870349e-02-1.04955591e-05 1.64003275e-09-9.55755922e-14 2 -1.98212000e+04-8.34372803e+01 3.37988237e+00 6.92835104e-02-4.19305334e-05 3 1.46602781e-08-2.61503387e-12-1.25314141e+04 2.02907150e+01 4 AC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1385.00 1 2.39678901e+01 2.81214950e-02-9.54524062e-06 1.47519132e-09-8.53429355e-14 2 -1.94545406e+04-9.34211407e+01 2.80291025e-01 8.23503848e-02-5.80403455e-05 3 2.23573139e-08-3.85568305e-12-1.10789954e+04 3.43028224e+01 4 AC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1385.00 1 2.39678901e+01 2.81214950e-02-9.54524062e-06 1.47519132e-09-8.53429355e-14 2 -1.94545406e+04-9.34211407e+01 2.80291025e-01 8.23503848e-02-5.80403455e-05 3 2.23573139e-08-3.85568305e-12-1.10789954e+04 3.43028224e+01 4 AC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1391.00 1 2.38246434e+01 2.90450598e-02-1.00277448e-05 1.56653591e-09-9.12780750e-14 2 -1.80148514e+04-9.35321390e+01 1.04936467e-01 8.68289153e-02-6.76281361e-05 3 3.00446698e-08-5.92880807e-12-9.82155610e+03 3.34081633e+01 4 BC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.50724822e+01 2.77997156e-02-9.65221757e-06 1.51363792e-09-8.84322022e-14 2 -2.14396837e+04-1.02759134e+02-2.25824744e-01 9.14205467e-02-7.54737469e-05 3 3.51155433e-08-7.10764302e-12-1.28867819e+04 3.19501976e+01 4 BC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1388.00 1 2.46364512e+01 2.78516374e-02-9.60212776e-06 1.49893237e-09-8.73034439e-14 2 -2.26720236e+04-9.94317358e+01 2.87811789e-01 8.58915907e-02-6.52778453e-05 3 2.77661350e-08-5.25727685e-12-1.42043130e+04 3.12011216e+01 4 BC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1388.00 1 2.46364512e+01 2.78516374e-02-9.60212776e-06 1.49893237e-09-8.73034439e-14 2 -2.26720236e+04-9.94317358e+01 2.87811789e-01 8.58915907e-02-6.52778453e-05 3 2.77661350e-08-5.25727685e-12-1.42043130e+04 3.12011216e+01 4 BC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1390.00 1 2.50724822e+01 2.77997156e-02-9.65221757e-06 1.51363792e-09-8.84322022e-14 2 -2.14396837e+04-1.02759134e+02-2.25824744e-01 9.14205467e-02-7.54737469e-05 3 3.51155433e-08-7.10764302e-12-1.28867819e+04 3.19501976e+01 4 CC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1393.00 1 2.46479832e+01 2.83523340e-02-9.79054893e-06 1.52971933e-09-8.91435695e-14 2 -2.06239590e+04-9.87676822e+01-9.13640727e-01 9.32421566e-02-7.71253014e-05 3 3.57101410e-08-7.14334394e-12-1.20798992e+04 3.70600042e+01 4 CC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1387.00 1 2.32505924e+01 2.95413171e-02-1.02009262e-05 1.59378181e-09-9.28733184e-14 2 -2.24754160e+04-9.06254716e+01 2.62000043e+00 7.47360535e-02-4.96773620e-05 3 1.89661610e-08-3.46101724e-12-1.48371491e+04 2.15863326e+01 4 CC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1391.00 1 2.42094345e+01 2.81648927e-02-9.60770930e-06 1.48931625e-09-8.63248580e-14 2 -2.18123903e+04-9.57070849e+01-2.47178528e-01 8.70187064e-02-6.60470242e-05 3 2.77342791e-08-5.11919689e-12-1.34187742e+04 3.52055503e+01 4 CC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1393.00 1 2.46479832e+01 2.83523340e-02-9.79054893e-06 1.52971933e-09-8.91435695e-14 2 -2.06239590e+04-9.91753319e+01-9.13640727e-01 9.32421566e-02-7.71253014e-05 3 3.57101410e-08-7.14334394e-12-1.20798992e+04 3.66523545e+01 4 DC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1393.00 1 2.46479832e+01 2.83523340e-02-9.79054893e-06 1.52971933e-09-8.91435695e-14 2 -2.06239590e+04-9.87676822e+01-9.13640727e-01 9.32421566e-02-7.71253014e-05 3 3.57101410e-08-7.14334394e-12-1.20798992e+04 3.70600042e+01 4 DC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1387.00 1 2.32505924e+01 2.95413171e-02-1.02009262e-05 1.59378181e-09-9.28733184e-14 2 -2.24754160e+04-9.06254716e+01 2.62000043e+00 7.47360535e-02-4.96773620e-05 3 1.89661610e-08-3.46101724e-12-1.48371491e+04 2.15863326e+01 4 DC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1391.00 1 2.42094345e+01 2.81648927e-02-9.60770930e-06 1.48931625e-09-8.63248580e-14 2 -2.18123903e+04-9.57070849e+01-2.47178528e-01 8.70187064e-02-6.60470242e-05 3 2.77342791e-08-5.11919689e-12-1.34187742e+04 3.52055503e+01 4 DC6H12OOH-E 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1393.00 1 2.46479832e+01 2.83523340e-02-9.79054893e-06 1.52971933e-09-8.91435695e-14 2 -2.06239590e+04-9.91753319e+01-9.13640727e-01 9.32421566e-02-7.71253014e-05 3 3.57101410e-08-7.14334394e-12-1.20798992e+04 3.66523545e+01 4 EC6H12OOH-A 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1391.00 1 2.38246434e+01 2.90450598e-02-1.00277448e-05 1.56653591e-09-9.12780750e-14 2 -1.80148514e+04-9.38139709e+01 1.04936467e-01 8.68289153e-02-6.76281361e-05 3 3.00446698e-08-5.92880807e-12-9.82155610e+03 3.31263314e+01 4 EC6H12OOH-B 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1383.00 1 2.22730342e+01 3.03870349e-02-1.04955591e-05 1.64003275e-09-9.55755922e-14 2 -1.98212000e+04-8.59184077e+01 3.37988237e+00 6.92835104e-02-4.19305334e-05 3 1.46602781e-08-2.61503387e-12-1.25314141e+04 1.78095876e+01 4 EC6H12OOH-C 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1385.00 1 2.39678901e+01 2.81214950e-02-9.54524062e-06 1.47519132e-09-8.53429355e-14 2 -1.94545406e+04-9.52077537e+01 2.80291025e-01 8.23503848e-02-5.80403455e-05 3 2.23573139e-08-3.85568305e-12-1.10789954e+04 3.25162094e+01 4 EC6H12OOH-D 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1385.00 1 2.39678901e+01 2.81214950e-02-9.54524062e-06 1.47519132e-09-8.53429355e-14 2 -1.94545406e+04-9.52077537e+01 2.80291025e-01 8.23503848e-02-5.80403455e-05 3 2.23573139e-08-3.85568305e-12-1.10789954e+04 3.25162094e+01 4 A-AC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1377.00 1 1.99156255e+01 2.80570645e-02-9.60026024e-06 1.49237353e-09-8.67075947e-14 2 -2.84220817e+04-8.31743087e+01-4.20527037e+00 8.30545972e-02-5.98098638e-05 3 2.43561195e-08-4.56570644e-12-1.97659017e+04 4.71607190e+01 4 A-BC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1389.00 1 2.01913400e+01 2.79678511e-02-9.67421525e-06 1.51319597e-09-8.82456559e-14 2 -3.10606369e+04-8.36348286e+01-3.72563518e+00 9.01004207e-02-7.70738640e-05 3 3.76470968e-08-7.92812029e-12-2.30886342e+04 4.31701779e+01 4 A-CC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1380.00 1 2.05031109e+01 2.75383043e-02-9.41667271e-06 1.46321280e-09-8.49886231e-14 2 -3.07586124e+04-8.59977886e+01-4.88287069e+00 8.82005980e-02-6.80825483e-05 3 2.95631345e-08-5.72457438e-12-2.19285390e+04 5.01835681e+01 4 A-DC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1387.00 1 1.83058303e+01 3.04972378e-02-1.05653766e-05 1.65434326e-09-9.65500891e-14 2 -4.03666095e+04-7.42546840e+01-6.21182780e+00 9.05324180e-02-7.17356596e-05 3 3.29927426e-08-6.76870122e-12-3.18464645e+04 5.69981751e+01 4 A-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1367.00 1 2.15175540e+01 2.91706121e-02-1.03353528e-05 1.64305835e-09-9.69180513e-14 2 -4.31982681e+04-9.97282695e+01-5.62318982e+00 8.41032809e-02-5.22021925e-05 3 1.72063153e-08-2.80952453e-12-3.27702826e+04 4.93791427e+01 4 B-CC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1391.00 1 2.07412761e+01 2.75290409e-02-9.52862858e-06 1.49103485e-09-8.69768921e-14 2 -3.33895346e+04-8.76349883e+01-4.16396827e+00 9.41385111e-02-8.36466392e-05 3 4.17964278e-08-8.85294431e-12-2.52864055e+04 4.37194948e+01 4 B-DC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1387.00 1 2.03130107e+01 2.84953369e-02-9.90356879e-06 1.55407483e-09-9.08358605e-14 2 -3.40106889e+04-8.70626611e+01-4.87366016e+00 9.21641265e-02-7.68916148e-05 3 3.66179877e-08-7.60587627e-12-2.54648802e+04 4.70529411e+01 4 B-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1382.00 1 1.91074475e+01 2.92530040e-02-1.00249828e-05 1.55944067e-09-9.06288079e-14 2 -4.18294277e+04-8.05257530e+01-5.89789117e+00 8.98576265e-02-7.04386625e-05 3 3.16883335e-08-6.36573039e-12-3.31421072e+04 5.34462473e+01 4 C-DC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1393.00 1 2.06312589e+01 2.75569457e-02-9.52376040e-06 1.48876677e-09-8.67838672e-14 2 -3.21567944e+04-8.58484971e+01-4.58619589e+00 9.47546131e-02-8.36032245e-05 3 4.12755972e-08-8.63503324e-12-2.39644207e+04 4.71716738e+01 4 C-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1380.00 1 2.05031109e+01 2.75383043e-02-9.41667271e-06 1.46321280e-09-8.49886231e-14 2 -3.07586124e+04-8.66872702e+01-4.88287069e+00 8.82005980e-02-6.80825483e-05 3 2.95631345e-08-5.72457438e-12-2.19285390e+04 4.94940865e+01 4 D-EC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1391.00 1 2.00142775e+01 2.81386921e-02-9.73735947e-06 1.52346612e-09-8.88596091e-14 2 -2.98157703e+04-8.21881363e+01-3.91794832e+00 8.97293918e-02-7.56759328e-05 3 3.64037588e-08-7.57721624e-12-2.18019238e+04 4.48631502e+01 4 AC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1386.00 1 2.81944355e+01 3.00615854e-02-1.04875563e-05 1.64988933e-09-9.66066390e-14 2 -3.74410496e+04-1.13020385e+02 1.25750622e+00 9.69354929e-02-7.94683680e-05 3 3.72216152e-08-7.67017593e-12-2.81879274e+04 3.08319625e+01 4 AC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.89271559e+01 2.94309577e-02-1.02680195e-05 1.61539932e-09-9.45889937e-14 2 -4.06099330e+04-1.18951528e+02 1.12020340e+00 1.00803997e-01-8.64919108e-05 3 4.19107997e-08-8.75986408e-12-3.12852486e+04 2.87307866e+01 4 AC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16252055e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.38645858e+01 4 AC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16252055e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.38645858e+01 4 AC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1386.00 1 2.81944355e+01 3.00615854e-02-1.04875563e-05 1.64988933e-09-9.66066390e-14 2 -3.74410496e+04-1.12330904e+02 1.25750622e+00 9.69354929e-02-7.94683680e-05 3 3.72216152e-08-7.67017593e-12-2.81879274e+04 3.15214442e+01 4 BC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.89271559e+01 2.94309577e-02-1.02680195e-05 1.61539932e-09-9.45889937e-14 2 -4.06099330e+04-1.18951528e+02 1.12020340e+00 1.00803997e-01-8.64919108e-05 3 4.19107997e-08-8.75986408e-12-3.12852486e+04 2.87307866e+01 4 BC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.97040749e+01 2.87284901e-02-1.00160771e-05 1.57505477e-09-9.21981850e-14 2 -4.31340420e+04-1.23485211e+02 7.44528654e-01 1.05300666e-01-9.38915720e-05 3 4.65061050e-08-9.75936256e-12-3.36666087e+04 2.94886773e+01 4 BC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.97040749e+01 2.87284901e-02-1.00160771e-05 1.57505477e-09-9.21981850e-14 2 -4.31340420e+04-1.23485211e+02 7.44528654e-01 1.05300666e-01-9.38915720e-05 3 4.65061050e-08-9.75936256e-12-3.36666087e+04 2.94886773e+01 4 BC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.89271559e+01 2.94309577e-02-1.02680195e-05 1.61539932e-09-9.45889937e-14 2 -4.06099330e+04-1.18951528e+02 1.12020340e+00 1.00803997e-01-8.64919108e-05 3 4.19107997e-08-8.75986408e-12-3.12852486e+04 2.87307866e+01 4 CC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16252055e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.38645858e+01 4 CC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.97040749e+01 2.87284901e-02-1.00160771e-05 1.57505477e-09-9.21981850e-14 2 -4.31340420e+04-1.23485211e+02 7.44528654e-01 1.05300666e-01-9.38915720e-05 3 4.65061050e-08-9.75936256e-12-3.36666087e+04 2.94886773e+01 4 CC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1391.00 1 2.95169325e+01 2.88320897e-02-1.00396340e-05 1.57746976e-09-9.22879651e-14 2 -4.24672118e+04-1.20912936e+02 2.10424950e-02 1.06373913e-01-9.39449871e-05 3 4.58274581e-08-9.47140152e-12-3.28275886e+04 3.49644059e+01 4 CC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16941537e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.31751042e+01 4 DC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16252055e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.38645858e+01 4 DC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.97040749e+01 2.87284901e-02-1.00160771e-05 1.57505477e-09-9.21981850e-14 2 -4.31340420e+04-1.23485211e+02 7.44528654e-01 1.05300666e-01-9.38915720e-05 3 4.65061050e-08-9.75936256e-12-3.36666087e+04 2.94886773e+01 4 DC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1391.00 1 2.95169325e+01 2.88320897e-02-1.00396340e-05 1.57746976e-09-9.22879651e-14 2 -4.24672118e+04-1.20912936e+02 2.10424950e-02 1.06373913e-01-9.39449871e-05 3 4.58274581e-08-9.47140152e-12-3.28275886e+04 3.49644059e+01 4 DC6H12OOH-EO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16941537e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.31751042e+01 4 EC6H12OOH-AO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1386.00 1 2.81944355e+01 3.00615854e-02-1.04875563e-05 1.64988933e-09-9.66066390e-14 2 -3.74410496e+04-1.12330904e+02 1.25750622e+00 9.69354929e-02-7.94683680e-05 3 3.72216152e-08-7.67017593e-12-2.81879274e+04 3.15214442e+01 4 EC6H12OOH-BO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1387.00 1 2.89271559e+01 2.94309577e-02-1.02680195e-05 1.61539932e-09-9.45889937e-14 2 -4.06099330e+04-1.18951528e+02 1.12020340e+00 1.00803997e-01-8.64919108e-05 3 4.19107997e-08-8.75986408e-12-3.12852486e+04 2.87307866e+01 4 EC6H12OOH-CO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16941537e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.31751042e+01 4 EC6H12OOH-DO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1389.00 1 2.88506302e+01 2.94513891e-02-1.02651937e-05 1.61392971e-09-9.44618214e-14 2 -3.99524524e+04-1.16941537e+02 5.79377766e-01 1.01913392e-01-8.70965107e-05 3 4.17659232e-08-8.62326435e-12-3.04984059e+04 3.31751042e+01 4 IC6KETAA 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1389.00 1 2.58488852e+01 2.72976729e-02-9.51569614e-06 1.49629215e-09-8.75872376e-14 2 -5.28856654e+04-1.02911605e+02-1.30731056e-01 9.05867325e-02-7.21666864e-05 3 3.20731540e-08-6.26544472e-12-4.39535297e+04 3.60495085e+01 4 IC6KETAB 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1389.00 1 2.72366376e+01 2.61665828e-02-9.13760798e-06 1.43865838e-09-8.42913377e-14 2 -5.59582828e+04-1.13051218e+02 4.07866694e-01 9.01887973e-02-6.99712289e-05 3 2.95261745e-08-5.45739214e-12-4.66929765e+04 3.07579600e+01 4 IC6KETAC 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1391.00 1 2.66965176e+01 2.65460731e-02-9.24984760e-06 1.45414398e-09-8.51078553e-14 2 -5.54955567e+04-1.07981071e+02-4.78951028e-01 9.38225791e-02-7.64739438e-05 3 3.41871567e-08-6.61163822e-12-4.63097742e+04 3.69049958e+01 4 IC6KETAD 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1391.00 1 2.66965176e+01 2.65460731e-02-9.24984760e-06 1.45414398e-09-8.51078553e-14 2 -5.54955567e+04-1.07981071e+02-4.78951028e-01 9.38225791e-02-7.64739438e-05 3 3.41871567e-08-6.61163822e-12-4.63097742e+04 3.69049958e+01 4 IC6KETAE 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1389.00 1 2.58488852e+01 2.72976729e-02-9.51569614e-06 1.49629215e-09-8.75872376e-14 2 -5.28856654e+04-1.02911605e+02-1.30731056e-01 9.05867325e-02-7.21666864e-05 3 3.20731540e-08-6.26544472e-12-4.39535297e+04 3.60495085e+01 4 IC6KETCA 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1386.00 1 2.54158893e+01 2.77142961e-02-9.66983106e-06 1.52140430e-09-8.90909745e-14 2 -5.66518132e+04-1.00850083e+02 5.69109476e-02 9.03207608e-02-7.35419413e-05 3 3.40150588e-08-6.92603964e-12-4.79346513e+04 3.46470814e+01 4 IC6KETCB 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.68298718e+01 2.65743988e-02-9.29166512e-06 1.46406502e-09-8.58245747e-14 2 -5.97387629e+04-1.11837562e+02 3.54796286e-01 9.10375847e-02-7.30302563e-05 3 3.25350255e-08-6.36071859e-12-5.06389929e+04 2.97761001e+01 4 IC6KETCD 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1391.00 1 2.66792669e+01 2.66782564e-02-9.32197006e-06 1.46820523e-09-8.60413011e-14 2 -5.90309025e+04-1.09030234e+02-2.63009183e+00 1.02048064e-01-8.82139757e-05 3 4.16003784e-08-8.33867408e-12-4.93663371e+04 4.63081295e+01 4 IC6KETCE 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1386.00 1 2.54158893e+01 2.77142961e-02-9.66983106e-06 1.52140430e-09-8.90909745e-14 2 -5.66518132e+04-1.01539564e+02 5.69109476e-02 9.03207608e-02-7.35419413e-05 3 3.40150588e-08-6.92603964e-12-4.79346513e+04 3.39575997e+01 4 IC6KETDA 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1384.00 1 2.52497489e+01 2.78620064e-02-9.72231486e-06 1.52976157e-09-8.95844320e-14 2 -5.66193832e+04-1.00045162e+02 1.28282988e+00 8.49008059e-02-6.56891881e-05 3 2.92351533e-08-5.87306957e-12-4.81599608e+04 2.87831218e+01 4 IC6KETDB 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1386.00 1 2.59777118e+01 2.72538189e-02-9.51458711e-06 1.49753812e-09-8.77158651e-14 2 -5.97898989e+04-1.06642028e+02 1.13495682e+00 8.88475362e-02-7.28652670e-05 3 3.40448184e-08-6.99430797e-12-5.12564827e+04 2.60401768e+01 4 IC6KETDC 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1389.00 1 2.64303679e+01 2.68827253e-02-9.39079843e-06 1.47875769e-09-8.66475606e-14 2 -5.89501963e+04-1.07712121e+02-1.14945628e+00 9.56186843e-02-7.90722313e-05 3 3.60975087e-08-7.13309048e-12-4.96327577e+04 3.92426460e+01 4 IC6KETDE 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1382.00 1 2.50888983e+01 2.80399855e-02-9.79237470e-06 1.54155954e-09-9.03049561e-14 2 -5.65750487e+04-9.88750272e+01 3.02690325e+00 7.95955993e-02-6.02269435e-05 3 2.69821397e-08-5.57646341e-12-4.86139113e+04 2.01943474e+01 4 IC6KETEA 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1386.00 1 2.55358096e+01 2.75241221e-02-9.58418843e-06 1.50590925e-09-8.81014540e-14 2 -5.28601898e+04-1.00875802e+02 1.71569198e+00 8.49053260e-02-6.65082862e-05 3 2.98219055e-08-5.98221794e-12-4.45337249e+04 2.68954869e+01 4 IC6KETEB 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.62491576e+01 2.69378350e-02-9.38607764e-06 1.47539873e-09-8.63410992e-14 2 -5.60268937e+04-1.07397958e+02 1.63289418e+00 8.85608937e-02-7.32894818e-05 3 3.44264723e-08-7.06894072e-12-4.76398060e+04 2.38477443e+01 4 IC6KETEC 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1388.00 1 2.61179757e+01 2.70167901e-02-9.40601228e-06 1.47774111e-09-8.64460947e-14 2 -5.53472326e+04-1.05072879e+02 1.14750179e+00 8.94624858e-02-7.37576849e-05 3 3.43159094e-08-6.96722350e-12-4.68615075e+04 2.80318978e+01 4 IC6KETED 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1370.00 1 2.79333426e+01 2.62176323e-02-9.30277179e-06 1.48022634e-09-8.73635870e-14 2 -5.55505881e+04-1.05691366e+02 3.44582366e+00 7.73169055e-02-5.07635481e-05 3 1.84236508e-08-3.28607706e-12-4.62544050e+04 2.83687788e+01 4 AC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1383.00 1 1.88589384e+01 3.01082092e-02-1.02608505e-05 1.58904396e-09-9.20282400e-14 2 -2.66561743e+04-6.77396131e+01 2.60289558e+00 6.10952294e-02-3.15026990e-05 3 8.28675949e-09-1.09987364e-12-2.01841906e+04 2.22997946e+01 4 BC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1389.00 1 1.93625920e+01 2.99247433e-02-1.02489923e-05 1.59234329e-09-9.24223276e-14 2 -2.89648219e+04-7.15770613e+01 1.91116117e+00 6.65253571e-02-4.04477223e-05 3 1.42114621e-08-2.49439975e-12-2.23153704e+04 2.39635402e+01 4 CC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.04108976e+01 2.86937403e-02-9.75365407e-06 1.50802716e-09-8.72411786e-14 2 -2.83870330e+04-7.73002458e+01-7.16850789e-01 7.77825975e-02-5.50383417e-05 3 2.18975891e-08-3.93664304e-12-2.09364055e+04 3.64558766e+01 4 DC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1378.00 1 2.10478314e+01 2.73105222e-02-9.11622264e-06 1.39380538e-09-8.00544087e-14 2 -2.65474809e+04-8.06529243e+01-3.22907255e-01 7.31112665e-02-4.54684886e-05 3 1.44639490e-08-1.99756973e-12-1.87529793e+04 3.55524939e+01 4 AO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.0000 5000.0000 1397.00 1 2.39788719e+01 3.03327501e-02-1.03135333e-05 1.59444929e-09-9.22215219e-14 2 -4.65859022e+04-9.16657191e+01 1.70782881e+00 8.73556574e-02-7.03396318e-05 3 3.25496227e-08-6.56112107e-12-3.91561094e+04 2.65633561e+01 4 BO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.0000 5000.0000 1399.00 1 2.48156212e+01 2.96595983e-02-1.00897658e-05 1.56041039e-09-9.02759019e-14 2 -4.90173180e+04-9.73746525e+01 8.45215071e-01 9.31177741e-02-7.88198089e-05 3 3.75648688e-08-7.62786327e-12-4.12535734e+04 2.90934402e+01 4 CO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.0000 5000.0000 1398.00 1 2.48617108e+01 2.97714966e-02-1.01628873e-05 1.57550811e-09-9.13068629e-14 2 -4.85510281e+04-9.73447583e+01 4.40688913e-01 9.24155199e-02-7.56109534e-05 3 3.48004152e-08-6.90398136e-12-4.04707369e+04 3.21573301e+01 4 DO2C6H12OH 6/25/99 THERMC 6H 13O 3 0G 300.0000 5000.0000 1396.00 1 2.40099482e+01 3.04148777e-02-1.03671145e-05 1.60554200e-09-9.29809750e-14 2 -4.61005119e+04-9.22075157e+01 1.24644705e+00 8.69653167e-02-6.76962035e-05 3 3.01543794e-08-5.91873153e-12-3.83658805e+04 2.91907391e+01 4 NC4H9CHO-2 2/22/96 THERMC 5H 10O 1 0G 300.0000 5000.0000 1391.00 1 1.69244029e+01 2.27967487e-02-7.82457147e-06 1.21768953e-09-7.07667159e-14 2 -3.67849859e+04-6.26488072e+01-7.57244136e-01 6.30961560e-02-4.40952050e-05 3 1.71631345e-08-3.03872845e-12-3.04700839e+04 3.28327802e+01 4 NC4H9CO-2 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1391.00 1 1.65046133e+01 2.06717230e-02-7.10606869e-06 1.10703434e-09-6.43837568e-14 2 -1.78228134e+04-5.87251500e+01 5.20818395e-02 5.80606228e-02-4.05166582e-05 3 1.56262414e-08-2.73207023e-12-1.19455944e+04 3.01404598e+01 4 C4H8CHO1-2 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1391.00 1 1.64744483e+01 2.07138328e-02-7.12390788e-06 1.11013747e-09-6.45764979e-14 2 -1.17109971e+04-5.73738058e+01 7.86281194e-02 5.82073078e-02-4.10328124e-05 3 1.60994025e-08-2.86665132e-12-5.86675455e+03 3.11220383e+01 4 C4H8CHO2-2 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1386.00 1 1.66751077e+01 2.06549942e-02-7.12754811e-06 1.11313803e-09-6.48477026e-14 2 -1.73614274e+04-6.08512122e+01 1.60540855e+00 5.45778941e-02-3.78976201e-05 3 1.51772667e-08-2.85167025e-12-1.18734845e+04 2.07921994e+01 4 C4H8CHO3-2 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 2025.00 1 1.46259201e+01 2.24057328e-02-7.81917608e-06 1.23707904e-09-7.28997923e-14 2 -1.19928868e+04-4.58850478e+01-3.02772431e-02 5.56047570e-02-3.49509916e-05 3 1.08056920e-08-1.30809397e-12-7.09624470e+03 3.28053351e+01 4 C4H8CHO4-2 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1391.00 1 1.64744483e+01 2.07138328e-02-7.12390788e-06 1.11013747e-09-6.45764979e-14 2 -1.17109971e+04-5.73738058e+01 7.86281194e-02 5.82073078e-02-4.10328124e-05 3 1.60994025e-08-2.86665132e-12-5.86675455e+03 3.11220383e+01 4 IC4H9CHO 2/22/96 THERMC 5H 10O 1 0G 300.0000 5000.0000 1383.00 1 1.70194059e+01 2.23541546e-02-7.59760895e-06 1.17496754e-09-6.79975164e-14 2 -3.69052925e+04-6.35759813e+01 5.60075164e-01 5.95029823e-02-4.09419630e-05 3 1.60172742e-08-2.91125498e-12-3.09653258e+04 2.54831596e+01 4 IC4H9CO 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1381.00 1 1.66912451e+01 2.00750158e-02-6.81146431e-06 1.05242707e-09-6.08743184e-14 2 -1.79771166e+04-6.01617502e+01 1.35787868e+00 5.44659595e-02-3.72488455e-05 3 1.43221894e-08-2.55211536e-12-1.24380609e+04 2.28531292e+01 4 IC3H6CH2CHO 2/22/96 THRMC 5H 9O 1 0G 300.0000 5000.0000 1379.00 1 1.68308524e+01 1.98251371e-02-6.70063133e-06 1.03289145e-09-5.96563130e-14 2 -1.19268842e+04-5.97504878e+01 1.35575211e+00 5.46502750e-02-3.76277171e-05 3 1.45524672e-08-2.60091152e-12-6.35312129e+03 2.39827179e+01 4 TC3H6CH2CHO 2/22/96 THRMC 5H 9O 1 0G 300.0000 5000.0000 2007.00 1 1.28694305e+01 2.43877237e-02-8.60077074e-06 1.36840737e-09-8.08920178e-14 2 -1.24569526e+04-3.65396771e+01 4.12074073e+00 4.02497372e-02-1.74954524e-05 3 2.74713038e-09 1.74637212e-14-9.10881808e+03 1.19535789e+01 4 IC3H7CHCHO 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1390.00 1 1.68247016e+01 2.04825673e-02-7.05877343e-06 1.10149429e-09-6.41348599e-14 2 -1.66738134e+04-6.30052880e+01 6.82102683e-02 5.98064172e-02-4.41150874e-05 3 1.83185752e-08-3.42487434e-12-1.07782365e+04 2.71241086e+01 4 IC5H11CHO 2/22/96 THERMC 6H 12O 1 0G 300.0000 5000.0000 1384.00 1 2.02213198e+01 2.67705370e-02-9.10366728e-06 1.40833319e-09-8.15189632e-14 2 -4.10080868e+04-7.93370131e+01 2.34791554e-01 7.22951237e-02-5.04030016e-05 3 1.99456056e-08-3.63962394e-12-3.38418529e+04 2.86506447e+01 4 IC5H11CO 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1383.00 1 1.98188304e+01 2.46169767e-02-8.37269097e-06 1.29548967e-09-7.49998110e-14 2 -2.20523289e+04-7.55097341e+01 1.03479315e+00 6.72965125e-02-4.68684803e-05 3 1.84279798e-08-3.33627697e-12-1.53158718e+04 2.60022360e+01 4 AC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1383.00 1 1.98177288e+01 2.46043987e-02-8.36554702e-06 1.29409596e-09-7.49077891e-14 2 -1.59495285e+04-7.43163799e+01 1.03549349e+00 6.75353237e-02-4.74740749e-05 3 1.89156648e-08-3.46499330e-12-9.23266290e+03 2.71074390e+01 4 BC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1367.00 1 1.82908067e+01 2.59026407e-02-8.81352457e-06 1.36402372e-09-7.89790437e-14 2 -1.78583936e+04-6.54405261e+01 4.42072965e+00 4.95924435e-02-2.12629641e-05 3 3.26525385e-09-1.09460438e-13-1.20624186e+04 1.23624344e+01 4 CC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1370.00 1 1.97791361e+01 2.41036798e-02-8.09050791e-06 1.24169106e-09-7.15088157e-14 2 -1.73593595e+04-7.36752622e+01 1.85681701e+00 6.03787623e-02-3.43198430e-05 3 9.43129598e-09-1.09430819e-12-1.05917559e+04 2.45692396e+01 4 DC5H10CHO 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1390.00 1 1.99907235e+01 2.49761165e-02-8.60141036e-06 1.34157728e-09-7.80872686e-14 2 -2.07687606e+04-7.85778453e+01-1.81091043e-01 7.22859990e-02-5.31703225e-05 3 2.20549541e-08-4.12457087e-12-1.36667436e+04 2.99354734e+01 4 C4H7CHO2-1 2/29/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1387.00 1 1.50265898e+01 1.98533832e-02-6.83413130e-06 1.06561288e-09-6.20117822e-14 2 -2.05478050e+04-5.08538815e+01 1.41032987e-01 5.34305714e-02-3.70497485e-05 3 1.45887253e-08-2.66717583e-12-1.51618126e+04 2.97165775e+01 4 C4H7CO2-1 2/29/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1387.00 1 1.46069636e+01 1.77278548e-02-6.11539466e-06 9.54916411e-10-5.56262722e-14 2 -1.58568440e+03-4.69310332e+01 9.44161243e-01 4.84236603e-02-3.35132337e-05 3 1.30752110e-08-2.36462830e-12 3.36357940e+03 2.70527043e+01 4 C4H6CHO2-11 2/29/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1382.00 1 1.50770441e+01 1.76352320e-02-6.15283553e-06 9.68110806e-10-5.66958265e-14 2 -3.68218088e+03-5.25762096e+01-3.47543254e-02 5.09843032e-02-3.51325696e-05 3 1.34249918e-08-2.38895896e-12 1.84414171e+03 2.94545422e+01 4 NC5H11CHO-2 2/22/96 THRMC 6H 12O 1 0G 300.0000 5000.0000 1391.00 1 2.00982291e+01 2.72817790e-02-9.36387879e-06 1.45721424e-09-8.46851264e-14 2 -4.08831113e+04-7.82663939e+01-1.01478382e+00 7.56060914e-02-5.31716080e-05 3 2.08968380e-08-3.73436574e-12-3.33572940e+04 3.56829890e+01 4 NC5H11CO-2 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1391.00 1 1.96784077e+01 2.51568048e-02-8.64540248e-06 1.34656434e-09-7.83025296e-14 2 -2.19209120e+04-7.43424944e+01-2.03814021e-01 7.05637069e-02-4.95831247e-05 3 1.93538377e-08-3.42634552e-12-1.48330665e+04 3.29829551e+01 4 C5H10CHO1-2 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1391.00 1 1.96030867e+01 2.52891123e-02-8.70536133e-06 1.35735154e-09-7.89864303e-14 2 -1.57984476e+04-7.27516437e+01-8.49087901e-02 7.03188411e-02-4.95852269e-05 3 1.95775786e-08-3.52176605e-12-8.76842601e+03 3.35343332e+01 4 C5H10CHO2-2 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1387.00 1 1.98422317e+01 2.51479748e-02-8.67006162e-06 1.35320867e-09-7.87996524e-14 2 -2.14569752e+04-7.64304895e+01 1.35892578e+00 6.70381216e-02-4.69073772e-05 3 1.88731334e-08-3.53916261e-12-1.47622998e+04 2.35915863e+01 4 C5H10CHO3-2 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1371.00 1 2.01227062e+01 2.38797102e-02-8.02929509e-06 1.23389172e-09-7.11284276e-14 2 -1.74107028e+04-7.52227682e+01 2.29372806e-01 6.50857715e-02-3.85248716e-05 3 1.08320261e-08-1.20717681e-12-1.00447795e+04 3.33981895e+01 4 C5H10CHO4-2 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1371.00 1 2.01227062e+01 2.38797102e-02-8.02929509e-06 1.23389172e-09-7.11284276e-14 2 -1.74107028e+04-7.52227682e+01 2.29372806e-01 6.50857715e-02-3.85248716e-05 3 1.08320261e-08-1.20717681e-12-1.00447795e+04 3.33981895e+01 4 C5H10CHO5-2 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1391.00 1 1.96030867e+01 2.52891123e-02-8.70536133e-06 1.35735154e-09-7.89864303e-14 2 -1.57984476e+04-7.27516437e+01-8.49087901e-02 7.03188411e-02-4.95852269e-05 3 1.95775786e-08-3.52176605e-12-8.76842601e+03 3.35343332e+01 4 IC4H9COCH3 2/22/96 THERMC 6H 12O 1 0G 300.0000 5000.0000 1385.00 1 1.96716027e+01 2.76137871e-02-9.47281007e-06 1.47372073e-09-8.56287665e-14 2 -4.46846111e+04-7.70708912e+01-1.90579047e-01 7.25128919e-02-5.03886537e-05 3 2.02427776e-08-3.80936689e-12-3.74746984e+04 3.04628950e+01 4 IC4H9COCH2 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1388.00 1 2.00550742e+01 2.50289534e-02-8.64295538e-06 1.35045324e-09-7.86996381e-14 2 -2.32553890e+04-7.96123974e+01-4.64766810e-01 7.51141417e-02-5.89473821e-05 3 2.65377898e-08-5.31549225e-12-1.61562898e+04 3.02084700e+01 4 IC3H6CH2COCH3 2/22/96 TMC 6H 11O 1 0G 300.0000 5000.0000 1384.00 1 1.92350685e+01 2.54691830e-02-8.74019579e-06 1.36010558e-09-7.90430908e-14 2 -1.96084009e+04-7.18517704e+01 6.14227252e-01 6.77167127e-02-4.74290030e-05 3 1.91968450e-08-3.62992072e-12-1.28653575e+04 2.89059162e+01 4 IC3H7CHCOCH3 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1388.00 1 1.96562823e+01 2.54184878e-02-8.78893878e-06 1.37447968e-09-8.01497293e-14 2 -2.45150110e+04-7.74844978e+01-6.47777204e-01 7.25518612e-02-5.29453446e-05 3 2.19767615e-08-4.15906663e-12-1.72905968e+04 3.19624528e+01 4 TC3H6CH2COCH3 2/22/96 TMC 6H 11O 1 0G 300.0000 5000.0000 1371.00 1 1.77113032e+01 2.67601997e-02-9.18468022e-06 1.42938449e-09-8.30724009e-14 2 -2.15185315e+04-6.29984608e+01 4.00292914e+00 4.97243752e-02-2.10795360e-05 3 3.40764739e-09-2.28955244e-13-1.56949206e+04 1.41458560e+01 4 C5H91-2 4/ 2/97 THERMC 5H 9 0 0G 300.0000 5000.0000 1390.00 1 1.39474859e+01 2.04521287e-02-6.96967387e-06 1.07931978e-09-6.25066129e-14 2 1.90834859e+04-4.67079674e+01 4.54828056e-01 5.07930135e-02-3.42342467e-05 3 1.32943451e-08-2.42204863e-12 2.39838608e+04 2.63713852e+01 4 IC3H7COC2H5 2/22/96 THRMC 6H 12O 1 0G 300.0000 5000.0000 1388.00 1 1.95742624e+01 2.79153955e-02-9.62240824e-06 1.50159041e-09-8.74272923e-14 2 -4.46354708e+04-7.64325751e+01-1.07895753e+00 7.65753600e-02-5.66861174e-05 3 2.44381695e-08-4.81585660e-12-3.73022908e+04 3.47443903e+01 4 IC3H6COC2H5 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1388.00 1 1.91427169e+01 2.57997569e-02-8.90698843e-06 1.39139804e-09-8.10704551e-14 2 -1.95677959e+04-7.12588992e+01-2.54127747e-01 7.17192976e-02-5.36374006e-05 3 2.33538810e-08-4.63251038e-12-1.26969711e+04 3.30875528e+01 4 TC3H6COC2H5 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1385.00 1 1.94096429e+01 2.56460908e-02-8.86990249e-06 1.38724701e-09-8.08943523e-14 2 -2.52397093e+04-7.57996541e+01 1.05378758e+00 6.91117584e-02-5.20085556e-05 3 2.33400245e-08-4.81438990e-12-1.86722579e+04 2.30648535e+01 4 IC3H7COC2H4P 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1388.00 1 1.91427169e+01 2.57997569e-02-8.90698843e-06 1.39139804e-09-8.10704551e-14 2 -1.95677959e+04-7.12588992e+01-2.54127747e-01 7.17192976e-02-5.36374006e-05 3 2.33538810e-08-4.63251038e-12-1.26969711e+04 3.30875528e+01 4 IC3H7COC2H4S 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1391.00 1 1.98203739e+01 2.53580298e-02-8.78518135e-06 1.37564474e-09-8.02875152e-14 2 -2.45658153e+04-7.83299138e+01-2.16104603e+00 7.93503514e-02-6.30281021e-05 3 2.83216172e-08-5.60713565e-12-1.70240813e+04 3.91387064e+01 4 IC3H5COC2H5 2/22/96 THRMC 6H 10O 1 0G 300.0000 5000.0000 1388.00 1 1.87507788e+01 2.39971118e-02-8.28168460e-06 1.29336620e-09-7.53430880e-14 2 -3.06170452e+04-7.16907457e+01 4.68853768e-01 6.91105668e-02-5.47712262e-05 3 2.53780824e-08-5.24161026e-12-2.42849819e+04 2.60807859e+01 4 AC3H4COC2H5 2/22/96 THRMC 6H 9O 1 0G 300.0000 5000.0000 1389.00 1 1.97160567e+01 2.09105684e-02-7.28102584e-06 1.14398254e-09-6.69250385e-14 2 -1.26453530e+04-7.73151325e+01-4.64731016e-01 7.33798108e-02-6.38398867e-05 3 3.11176404e-08-6.48852920e-12-5.95892101e+03 2.96012304e+01 4 IC3H5COC2H4P 2/22/96 TRMC 6H 9O 1 0G 300.0000 5000.0000 1388.00 1 1.83242746e+01 2.18703696e-02-7.56100862e-06 1.18221142e-09-6.89246734e-14 2 -5.55069059e+03-6.65437028e+01 1.29480459e+00 6.42418275e-02-5.16903625e-05 3 2.42623980e-08-5.04858986e-12 3.20340108e+02 2.44201690e+01 4 IC3H5COC2H4S 2/22/96 TRMC 6H 9O 1 0G 300.0000 5000.0000 1391.00 1 1.89823944e+01 2.13803288e-02-7.40835524e-06 1.16018120e-09-6.77175714e-14 2 -1.05280132e+04-7.34630410e+01-1.13381169e-01 6.94440454e-02-5.71565401e-05 3 2.65471003e-08-5.36476147e-12-4.07720688e+03 2.82018312e+01 4 IC3H7COCH3 2/22/96 THERMC 5H 10O 1 0G 300.0000 5000.0000 1389.00 1 1.66064519e+01 2.32019647e-02-7.99419096e-06 1.24726904e-09-7.26144595e-14 2 -4.05351275e+04-6.23325647e+01-1.24046168e+00 6.33681695e-02-4.37682778e-05 3 1.69402503e-08-3.02207612e-12-3.40899231e+04 3.42592708e+01 4 IC3H7COCH2 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1392.00 1 1.71358006e+01 2.04135931e-02-7.07825623e-06 1.10904867e-09-6.47575444e-14 2 -1.91650421e+04-6.57068811e+01-1.75027988e+00 6.69225305e-02-5.35140809e-05 3 2.38275745e-08-4.63372663e-12-1.27342578e+04 3.51109375e+01 4 IC3H6COCH3 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1388.00 1 1.61723542e+01 2.12415058e-02-7.36560280e-06 1.15405451e-09-6.73833225e-14 2 -1.54990200e+04-5.72317252e+01-7.82700093e-01 6.03795595e-02-4.38774209e-05 3 1.81816822e-08-3.45127315e-12-9.43455569e+03 3.42581346e+01 4 TC3H6COCH3 2/22/96 THERMC 5H 9O 1 0G 300.0000 5000.0000 1384.00 1 1.63530510e+01 2.10676490e-02-7.30082755e-06 1.14341930e-09-6.67420849e-14 2 -2.11106969e+04-6.12065104e+01 1.16088607e+00 5.47069437e-02-3.74084319e-05 3 1.48884261e-08-2.82847460e-12-1.54998117e+04 2.13396921e+01 4 IC5H8 8/ 9/ 7 THERMC 5H 8 0 0G 300.0000 5000.0000 1397.00 1 1.44434478e+01 1.79881464e-02-6.13571042e-06 9.50663040e-10-5.50722345e-14 2 2.25743887e+03-5.33657241e+01-1.48512311e+00 6.17936973e-02-5.55341784e-05 3 2.77032557e-08-5.77856148e-12 7.27439999e+03 3.01343292e+01 4 IC5H7 8/ 9/ 7 THERMC 5H 7 0 0G 300.0000 5000.0000 1400.00 1 1.48523478e+01 1.55764392e-02-5.31690304e-06 8.24223820e-10-4.77657150e-14 2 2.05084740e+04-5.57290194e+01-2.43161158e+00 6.65537277e-02-6.60280100e-05 3 3.47231908e-08-7.36483155e-12 2.55927197e+04 3.36296507e+01 4 IC5H7O 8/ 9/ 7 THERMC 5H 7O 1 0G 300.0000 5000.0000 1400.00 1 1.62444018e+01 1.64622833e-02-5.61159358e-06 8.69195043e-10-5.03459699e-14 2 1.04814236e+04-5.86410265e+01-3.05416205e-01 6.18692767e-02-5.59759609e-05 3 2.74428902e-08-5.57513574e-12 1.56402754e+04 2.80368446e+01 4 C4H5-N H6W/94C 4H 5 0 0G 300.0000 3000.0000 1000.00 1 1.02290920e+01 9.48501380e-03-9.04064450e-08-1.25961000e-09 2.47814680e-13 2 3.46522118e+04-2.85502516e+01-1.17929289e+00 4.74811967e-02-5.41941324e-05 3 3.85928326e-08-1.20887001e-11 3.76012728e+04 2.91117405e+01 4 IC4H7-I1 4/ 2/97 THERMC 4H 7 0 0G 300.0000 5000.0000 1389.00 1 1.10957600e+01 1.57810049e-02-5.38419615e-06 8.34360121e-10-4.83401481e-14 2 2.24243527e+04-3.40343300e+01 1.65429282e+00 3.70386260e-02-2.50013419e-05 3 1.01188794e-08-1.96074392e-12 2.58933071e+04 1.71703709e+01 4 C7H16-24 7/19/ 0 THERMC 7H 16 0 0G 300.0000 5000.0000 1391.00 1 2.22587834e+01 3.52460342e-02-1.21165333e-05 1.88731524e-09-1.09741951e-13 2 -3.66709122e+04-9.49080595e+01-2.76587616e+00 9.29887380e-02-6.60820891e-05 3 2.71424616e-08-5.14496933e-12-2.77026554e+04 4.01585179e+01 4 XC7H15 7/19/ 0 THERMC 7H 15 0 0G 300.0000 5000.0000 1391.00 1 2.18442431e+01 3.30970511e-02-1.13855507e-05 1.77428049e-09-1.03203205e-13 2 -1.16072032e+04-8.98297336e+01-1.97374014e+00 8.82705158e-02-6.32116456e-05 3 2.61434723e-08-4.97495658e-12-3.09230228e+03 3.86490217e+01 4 YC7H15 7/19/ 0 THERMC 7H 15 0 0G 300.0000 5000.0000 1384.00 1 2.04581471e+01 3.43076361e-02-1.18102635e-05 1.84129611e-09-1.07133806e-13 2 -1.34853986e+04-8.18057928e+01 8.93838809e-01 7.25907214e-02-4.00408187e-05 3 1.21976627e-08-1.96044085e-12-5.74400014e+03 2.62994187e+01 4 ZC7H15 7/19/ 0 THERMC 7H 15 0 0G 300.0000 5000.0000 1388.00 1 2.14125023e+01 3.31721888e-02-1.13499859e-05 1.76256438e-09-1.02279053e-13 2 -1.28545811e+04-8.69590971e+01-1.59515270e+00 8.33610566e-02-5.40746805e-05 3 1.95880747e-08-3.33801651e-12-4.38920957e+03 3.81225758e+01 4 XC7H14 7/19/ 0 THERMC 7H 14 0 0G 300.0000 5000.0000 1392.00 1 2.10164030e+01 3.15214597e-02-1.08073947e-05 1.68040191e-09-9.75892313e-14 2 -2.11973936e+04-8.63642622e+01-1.79512877e+00 8.54302953e-02-6.26129251e-05 3 2.64785447e-08-5.08730818e-12-1.31560724e+04 3.62948046e+01 4 YC7H14 7/19/ 0 THERMC 7H 14 0 0G 300.0000 5000.0000 1392.00 1 2.05074323e+01 3.19644167e-02-1.09618778e-05 1.70463736e-09-9.90036120e-14 2 -2.23807391e+04-8.39096269e+01-1.29188732e+00 8.21972007e-02-5.79161017e-05 3 2.37228668e-08-4.50204361e-12-1.45525439e+04 3.37881843e+01 4 XC7H13-X1 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1395.00 1 2.14417898e+01 2.90951798e-02-9.98351421e-06 1.55317233e-09-9.02369517e-14 2 -2.97622419e+03-8.88244989e+01-2.78475436e+00 9.03268626e-02-7.32194468e-05 3 3.35157611e-08-6.66585241e-12 5.14986526e+03 4.00050633e+01 4 XC7H13-Z 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.06194069e+01 2.98279790e-02-1.02443684e-05 1.59476927e-09-9.26958038e-14 2 -4.12425497e+03-8.54592362e+01-2.08605687e+00 8.35970267e-02-6.17818967e-05 3 2.60669798e-08-4.96300404e-12 3.84501213e+03 3.65479483e+01 4 XC7H13-X2 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.06333635e+01 2.93596738e-02-1.00751188e-05 1.56749343e-09-9.10712060e-14 2 3.83094887e+03-8.14702152e+01-1.13246412e+00 8.13856335e-02-6.08222710e-05 3 2.62093685e-08-5.09518146e-12 1.14509989e+04 3.53691027e+01 4 XC7H13-Y2 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1384.00 1 1.90334388e+01 3.07312993e-02-1.05503266e-05 1.64182432e-09-9.54035635e-14 2 2.05347368e+03-7.21772409e+01 2.40184678e+00 6.26266398e-02-3.32180390e-05 3 9.53884282e-09-1.46567287e-12 8.70329296e+03 1.99595387e+01 4 YC7H13-Y2 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1389.00 1 1.96153468e+01 3.07074105e-02-1.05530468e-05 1.64345959e-09-9.55499728e-14 2 -6.28451090e+03-8.09107033e+01-6.99145954e-01 7.48787285e-02-4.85445741e-05 3 1.79847361e-08-3.19402988e-12 1.25618017e+03 2.96729130e+01 4 YC7H13-X2 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1392.00 1 2.00933242e+01 2.98145345e-02-1.02304735e-05 1.59152568e-09-9.24599545e-14 2 2.66242491e+03-7.88342391e+01-5.05850063e-01 7.75038751e-02-5.50844835e-05 3 2.27502877e-08-4.33862365e-12 1.00386843e+04 3.23075194e+01 4 XC7H13O-Z 5/14/ 3 THERMC 7H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.44947643e+01 2.76331607e-02-9.27884306e-06 1.42378456e-09-8.19634936e-14 2 -1.55940169e+04-1.01327453e+02-2.70358791e+00 9.71110552e-02-8.00181438e-05 3 3.58210229e-08-6.79998430e-12-6.71066259e+03 4.27490406e+01 4 YC7H13O-Y2 5/14/ 3 THERMC 7H 13O 1 0G 300.0000 5000.0000 1391.00 1 2.44895570e+01 2.72499278e-02-9.06880008e-06 1.38347877e-09-7.93299137e-14 2 -1.87582240e+04-1.02014973e+02-1.08097781e+00 9.12462981e-02-7.25218603e-05 3 3.13949757e-08-5.80827547e-12-1.02982331e+04 3.38644417e+01 4 XC7H15O2 7/19/ 0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.56414129e+01 3.47282720e-02-1.19896068e-05 1.87291322e-09-1.09123152e-13 2 -3.07228415e+04-1.04932349e+02-6.35456652e-01 9.77300205e-02-7.42717882e-05 3 3.28009758e-08-6.54391650e-12-2.14912437e+04 3.61484686e+01 4 YC7H15O2 7/19/ 0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.63777368e+01 3.40995934e-02-1.17718548e-05 1.83881800e-09-1.07133205e-13 2 -3.38934748e+04-1.11570083e+02-8.24085692e-01 1.01894764e-01-8.18434612e-05 3 3.79095083e-08-7.74714533e-12-2.45823575e+04 3.35878510e+01 4 ZC7H15O2 7/19/ 0 THERMC 7H 15O 2 0G 300.0000 5000.0000 1392.00 1 2.63546014e+01 3.40976129e-02-1.17666253e-05 1.83754787e-09-1.07041520e-13 2 -3.32772593e+04-1.10605567e+02-1.72472619e+00 1.04441121e-01-8.44405451e-05 3 3.89860900e-08-7.88942813e-12-2.37367788e+04 3.90426714e+01 4 XC7H15O2H 7/19/ 0 THERMC 7H 16O 2 0G 300.0000 5000.0000 1390.00 1 2.81216777e+01 3.48595780e-02-1.20626646e-05 1.88740293e-09-1.10097870e-13 2 -4.86429381e+04-1.19328503e+02-1.67174338e+00 1.06869187e-01-8.28395488e-05 3 3.62890257e-08-7.05933345e-12-3.83286982e+04 4.02577383e+01 4 YC7H15O2H 7/19/ 0 THERMC 7H 16O 2 0G 300.0000 5000.0000 1391.00 1 2.88447004e+01 3.42584124e-02-1.18579214e-05 1.85569904e-09-1.08261580e-13 2 -5.18124804e+04-1.25899634e+02-1.83858205e+00 1.10903970e-01-9.01843276e-05 3 4.12385493e-08-8.22153436e-12-4.14222439e+04 3.76029489e+01 4 ZC7H15O2H 7/19/ 0 THERMC 7H 16O 2 0G 300.0000 5000.0000 1392.00 1 2.88229476e+01 3.43227287e-02-1.18901707e-05 1.86177460e-09-1.08657283e-13 2 -5.11925836e+04-1.24945562e+02-3.27031001e+00 1.16453906e-01-9.80619925e-05 3 4.61061967e-08-9.32379287e-12-4.05121863e+04 4.53913520e+01 4 XC7H15O 7/19/ 0 THERMC 7H 15O 1 0G 300.0000 5000.0000 1394.00 1 2.41616909e+01 3.32639410e-02-1.13554345e-05 1.76073607e-09-1.02065780e-13 2 -2.88897512e+04-9.99000379e+01-2.57505613e+00 9.74598965e-02-7.30941688e-05 3 3.07120464e-08-5.71750945e-12-1.96645775e+04 4.33289358e+01 4 YC7H15O 7/19/ 0 THERMC 7H 15O 1 0G 300.0000 5000.0000 1395.00 1 2.47809281e+01 3.28455378e-02-1.12333696e-05 1.74388123e-09-1.01169596e-13 2 -3.24284821e+04-1.05442756e+02-2.66106444e+00 1.01277243e-01-8.04031512e-05 3 3.58520208e-08-6.96875695e-12-2.31758209e+04 4.07333330e+01 4 ZC7H15O 7/19/ 0 THERMC 7H 15O 1 0G 300.0000 5000.0000 1394.00 1 2.45898334e+01 3.33410501e-02-1.14764761e-05 1.78922434e-09-1.04105238e-13 2 -3.12653313e+04-1.04133472e+02-3.41498667e+00 1.03496182e-01-8.33129281e-05 3 3.79005329e-08-7.52356978e-12-2.18047739e+04 4.50181967e+01 4 XC7H14OOH-X1 7/19/ 0 TRMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.76866934e+01 3.27519448e-02-1.13511515e-05 1.77794106e-09-1.03788494e-13 2 -2.35751710e+04-1.14137916e+02-8.21107163e-01 1.01890705e-01-7.96041011e-05 3 3.50907908e-08-6.85147223e-12-1.37270677e+04 3.84830243e+01 4 XC7H14OOH-Y1 7/19/ 0 TRMC 7H 15O 2 0G 300.0000 5000.0000 1384.00 1 2.61414592e+01 3.40778275e-02-1.18110807e-05 1.84996634e-09-1.07990658e-13 2 -2.53807911e+04-1.04479287e+02 2.47305690e+00 8.42539372e-02-5.37174734e-05 3 1.95347122e-08-3.48430082e-12-1.64399535e+04 2.48686691e+01 4 XC7H14OOH-Z 7/19/ 0 THRMC 7H 15O 2 0G 300.0000 5000.0000 1386.00 1 2.76489022e+01 3.21124316e-02-1.09907912e-05 1.70782491e-09-9.91661874e-14 2 -2.49424901e+04-1.13416436e+02-7.20768922e-01 9.78708466e-02-7.09678468e-05 3 2.81816467e-08-4.98839860e-12-1.49755548e+04 3.92965419e+01 4 XC7H14OOH-Y2 7/19/ 0 TRMC 7H 15O 2 0G 300.0000 5000.0000 1384.00 1 2.61414592e+01 3.40778275e-02-1.18110807e-05 1.84996634e-09-1.07990658e-13 2 -2.53807911e+04-1.04479287e+02 2.47305690e+00 8.42539372e-02-5.37174734e-05 3 1.95347122e-08-3.48430082e-12-1.64399535e+04 2.48686691e+01 4 XC7H14OOH-X2 7/19/ 0 TRMC 7H 15O 2 0G 300.0000 5000.0000 1390.00 1 2.76866934e+01 3.27519448e-02-1.13511515e-05 1.77794106e-09-1.03788494e-13 2 -2.35751710e+04-1.14137916e+02-8.21107163e-01 1.01890705e-01-7.96041011e-05 3 3.50907908e-08-6.85147223e-12-1.37270677e+04 3.84830243e+01 4 YC7H14OOH-X1 7/19/ 0 TRMC 7H 15O 2 0G 300.0000 5000.0000 1391.00 1 2.84263901e+01 3.21157100e-02-1.11297910e-05 1.74318113e-09-1.01755830e-13 2 -2.67477747e+04-1.20800864e+02-1.03172826e+00 1.06116495e-01-8.72097286e-05 3 4.01758560e-08-8.03756413e-12-1.68140018e+04 3.60261498e+01 4 YC7H14OOH-Z 7/19/ 0 THRMC 7H 15O 2 0G 300.0000 5000.0000 1387.00 1 2.84317632e+01 3.13846101e-02-1.07271569e-05 1.66546594e-09-9.66539919e-14 2 -2.81284191e+04-1.20305216e+02-9.18693424e-01 1.02019430e-01-7.84325457e-05 3 3.31425919e-08-6.13842327e-12-1.80638609e+04 3.67901365e+01 4 YC7H14OOH-Y2 7/19/ 0 TRMC 7H 15O 2 0G 300.0000 5000.0000 1385.00 1 2.68731550e+01 3.34845150e-02-1.16124145e-05 1.81956167e-09-1.06244196e-13 2 -2.85586077e+04-1.11114175e+02 2.12685800e+00 8.91209730e-02-6.23802020e-05 3 2.53761555e-08-4.86491434e-12-1.95070251e+04 2.30388111e+01 4 YC7H14OOH-X2 7/19/ 0 TRMC 7H 15O 2 0G 300.0000 5000.0000 1391.00 1 2.84263901e+01 3.21157100e-02-1.11297910e-05 1.74318113e-09-1.01755830e-13 2 -2.67477747e+04-1.20800864e+02-1.03172826e+00 1.06116495e-01-8.72097286e-05 3 4.01758560e-08-8.03756413e-12-1.68140018e+04 3.60261498e+01 4 ZC7H14OOH-X 7/19/ 0 THRMC 7H 15O 2 0G 300.0000 5000.0000 1392.00 1 2.85250212e+01 3.20467109e-02-1.11097617e-05 1.74048822e-09-1.01617868e-13 2 -2.61934530e+04-1.20568180e+02-1.81086948e+00 1.08117699e-01-8.87274337e-05 3 4.04710085e-08-7.99153159e-12-1.59885000e+04 4.09098062e+01 4 ZC7H14OOH-Y 7/19/ 0 THRMC 7H 15O 2 0G 300.0000 5000.0000 1386.00 1 2.71410520e+01 3.32303001e-02-1.15196486e-05 1.80462020e-09-1.05357677e-13 2 -2.80548950e+04-1.11814760e+02 1.68170785e+00 8.97556949e-02-6.14591224e-05 3 2.38409897e-08-4.33901953e-12-1.87385340e+04 2.63337250e+01 4 XC7H14OOH-X1O2 7/19/ 0 MC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.15322755e+01 3.44371244e-02-1.19956214e-05 1.88521208e-09-1.10307538e-13 2 -4.27540669e+04-1.29621628e+02 2.36939252e-01 1.12604986e-01-9.27456826e-05 3 4.33308643e-08-8.85608198e-12-3.20827467e+04 3.72794421e+01 4 XC7H14OOH-X2O2 7/19/ 0 MC 7H 15O 4 0G 300.0000 5000.0000 1388.00 1 3.15322755e+01 3.44371244e-02-1.19956214e-05 1.88521208e-09-1.10307538e-13 2 -4.27540669e+04-1.29621628e+02 2.36939252e-01 1.12604986e-01-9.27456826e-05 3 4.33308643e-08-8.85608198e-12-3.20827467e+04 3.72794421e+01 4 XC7H14OOH-Y1O2 7/19/ 0 MC 7H 15O 4 0G 300.0000 5000.0000 1389.00 1 3.22575127e+01 3.38160378e-02-1.17800849e-05 1.85142066e-09-1.08333580e-13 2 -4.59220433e+04-1.36198282e+02 1.22634385e-01 1.16338569e-01-9.95479834e-05 3 4.78741798e-08-9.91133030e-12-3.51826110e+04 3.43943961e+01 4 XC7H14OOH-Y2O2 7/19/ 0 MC 7H 15O 4 0G 300.0000 5000.0000 1389.00 1 3.22575127e+01 3.38160378e-02-1.17800849e-05 1.85142066e-09-1.08333580e-13 2 -4.59220433e+04-1.36198282e+02 1.22634385e-01 1.16338569e-01-9.95479834e-05 3 4.78741798e-08-9.91133030e-12-3.51826110e+04 3.43943961e+01 4 XC7H14OOH-ZO2 7/19/ 0 TMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.22331834e+01 3.37949275e-02-1.17636766e-05 1.84791914e-09-1.08091994e-13 2 -4.52891677e+04-1.34498423e+02-4.71000856e-01 1.17670884e-01-1.00395508e-04 3 4.78503945e-08-9.80079343e-12-3.43880107e+04 3.90829217e+01 4 YC7H14OOH-X1O2 7/19/ 0 MC 7H 15O 4 0G 300.0000 5000.0000 1389.00 1 3.22575127e+01 3.38160378e-02-1.17800849e-05 1.85142066e-09-1.08333580e-13 2 -4.59220433e+04-1.36198282e+02 1.22634385e-01 1.16338569e-01-9.95479834e-05 3 4.78741798e-08-9.91133030e-12-3.51826110e+04 3.43943961e+01 4 YC7H14OOH-X2O2 7/19/ 0 MC 7H 15O 4 0G 300.0000 5000.0000 1389.00 1 3.22575127e+01 3.38160378e-02-1.17800849e-05 1.85142066e-09-1.08333580e-13 2 -4.59220433e+04-1.36198282e+02 1.22634385e-01 1.16338569e-01-9.95479834e-05 3 4.78741798e-08-9.91133030e-12-3.51826110e+04 3.43943961e+01 4 YC7H14OOH-Y2O2 7/19/ 0 MC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.29900436e+01 3.31872151e-02-1.15615317e-05 1.81712155e-09-1.06328553e-13 2 -4.90911275e+04-1.42813547e+02-2.91430863e-02 1.20278186e-01-1.06684636e-04 3 5.26367269e-08-1.10176324e-11-3.82779150e+04 3.16744515e+01 4 YC7H14OOH-ZO2 7/19/ 0 TMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.29254056e+01 3.31981348e-02-1.15556227e-05 1.81519676e-09-1.06176106e-13 2 -4.84412150e+04-1.40878782e+02-5.95417288e-01 1.21488969e-01-1.07468200e-04 3 5.26548328e-08-1.09356769e-11-3.74867022e+04 3.62401730e+01 4 ZC7H14OOH-XO2 7/19/ 0 TMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.22331834e+01 3.37949275e-02-1.17636766e-05 1.84791914e-09-1.08091994e-13 2 -4.52891677e+04-1.34498423e+02-4.71000856e-01 1.17670884e-01-1.00395508e-04 3 4.78503945e-08-9.80079343e-12-3.43880107e+04 3.90829217e+01 4 ZC7H14OOH-YO2 7/19/ 0 TMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.29254056e+01 3.31981348e-02-1.15556227e-05 1.81519676e-09-1.06176106e-13 2 -4.84412150e+04-1.40878782e+02-5.95417288e-01 1.21488969e-01-1.07468200e-04 3 5.26548328e-08-1.09356769e-11-3.74867022e+04 3.62401730e+01 4 X-X1C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1396.00 1 2.26665402e+01 3.28947065e-02-1.12431532e-05 1.74493332e-09-1.01220189e-13 2 -3.38350163e+04-9.69244240e+01-6.34364996e+00 1.02554350e-01-7.73325554e-05 3 3.18485626e-08-5.71933053e-12-2.39058441e+04 5.83369539e+01 4 X-X2C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1393.00 1 2.27906942e+01 3.39393031e-02-1.16718767e-05 1.81912714e-09-1.05839343e-13 2 -4.65612246e+04-1.04524981e+02-8.86017977e+00 1.08731364e-01-8.10813860e-05 3 3.26801316e-08-5.75407808e-12-3.56230492e+04 6.52706202e+01 4 X-Y1C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1397.00 1 2.39939903e+01 3.14792359e-02-1.07826081e-05 1.67573435e-09-9.72935479e-14 2 -3.65023468e+04-1.03906302e+02-4.64932106e+00 1.03420560e-01-8.34254026e-05 3 3.71099690e-08-7.10642031e-12-2.69519518e+04 4.83854987e+01 4 X-Y2C7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1397.00 1 2.27255338e+01 3.32678588e-02-1.13715614e-05 1.76494537e-09-1.02384190e-13 2 -4.74654653e+04-1.00152447e+02-8.38312302e+00 1.10733216e-01-8.82613718e-05 3 3.84048695e-08-7.17725464e-12-3.70797621e+04 6.53876431e+01 4 X-ZC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1399.00 1 2.30507052e+01 3.27569243e-02-1.12344217e-05 1.74738309e-09-1.01510008e-13 2 -3.61111812e+04-1.00017658e+02-6.63404100e+00 1.06100443e-01-8.35100610e-05 3 3.60161516e-08-6.70538171e-12-2.61293505e+04 5.81724559e+01 4 Y-YC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1397.00 1 2.39674197e+01 3.19629086e-02-1.09575314e-05 1.70388263e-09-9.89667798e-14 2 -4.09354870e+04-1.06983632e+02-6.65914479e+00 1.10755281e-01-9.26581398e-05 3 4.24839601e-08-8.28570051e-12-3.09051408e+04 5.52018061e+01 4 Y-ZC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1399.00 1 2.45279841e+01 3.11656013e-02-1.07038606e-05 1.66638951e-09-9.68649509e-14 2 -3.88517371e+04-1.07889273e+02-5.44836245e+00 1.09049191e-01-9.24418248e-05 3 4.29293872e-08-8.44753677e-12-2.90943777e+04 5.06104784e+01 4 C7KET24XX1 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1390.00 1 2.91773205e+01 3.16574729e-02-1.10131609e-05 1.72942809e-09-1.01139477e-13 2 -5.81888194e+04-1.20820047e+02-9.38944925e-01 1.05274155e-01-8.39295358e-05 3 3.71949780e-08-7.22036658e-12-4.78795526e+04 4.01418719e+01 4 C7KET24XY1 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1391.00 1 3.05986062e+01 3.04830919e-02-1.06169237e-05 1.66863133e-09-9.76462072e-14 2 -6.12708014e+04-1.31139624e+02-4.78347839e-01 1.05229009e-01-8.21746020e-05 3 3.48497426e-08-6.43974206e-12-5.06079194e+04 3.52124336e+01 4 C7KET24XZ 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1392.00 1 3.00499738e+01 3.09109258e-02-1.07549224e-05 1.68908229e-09-9.87900071e-14 2 -6.08195339e+04-1.26058484e+02-1.71274311e+00 1.10449991e-01-9.12496559e-05 3 4.12998289e-08-8.04200717e-12-5.01722211e+04 4.29660466e+01 4 C7KET24XY2 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1391.00 1 2.99220507e+01 3.10354540e-02-1.08007132e-05 1.69647016e-09-9.92281409e-14 2 -6.13648452e+04-1.26823932e+02-1.24354670e+00 1.09990700e-01-9.23397310e-05 3 4.28341456e-08-8.54302697e-12-5.09541984e+04 3.87998017e+01 4 C7KET24XX2 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1390.00 1 2.91773205e+01 3.16574729e-02-1.10131609e-05 1.72942809e-09-1.01139477e-13 2 -5.81888194e+04-1.20130566e+02-9.38944925e-01 1.05274155e-01-8.39295358e-05 3 3.71949780e-08-7.22036658e-12-4.78795526e+04 4.08313535e+01 4 C7KET24ZX 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1390.00 1 2.92298738e+01 3.17211520e-02-1.10600349e-05 1.73941402e-09-1.01831297e-13 2 -6.20740267e+04-1.21838958e+02-2.69031665e+00 1.10809651e-01-9.05108727e-05 3 4.07976897e-08-7.97791624e-12-5.12611320e+04 4.83749731e+01 4 C7KET24ZY 7/19/ 0 THERMC 7H 14O 3 0G 300.0000 5000.0000 1391.00 1 3.07201914e+01 3.05414582e-02-1.06739606e-05 1.68146856e-09-9.85557204e-14 2 -6.52073108e+04-1.33300978e+02-2.33557461e+00 1.11141466e-01-8.91459505e-05 3 3.86683295e-08-7.24965722e-12-5.39716472e+04 4.32623192e+01 4 XC7H14OH 6/26/99 THERMC 7H 15O 1 0G 300.0000 5000.0000 1386.00 1 2.22783263e+01 3.43327362e-02-1.16997135e-05 1.81185921e-09-1.04934239e-13 2 -3.19567517e+04-8.54654135e+01 1.52634801e+00 7.69402702e-02-4.48568770e-05 3 1.42946153e-08-2.23017801e-12-2.40340431e+04 2.83336307e+01 4 YC7H14OH 6/26/99 THERMC 7H 15O 1 0G 300.0000 5000.0000 1389.00 1 2.27293371e+01 3.43645876e-02-1.17989857e-05 1.83627381e-09-1.06708101e-13 2 -3.42752034e+04-9.04571975e+01 8.98253981e-01 8.23962104e-02-5.43326595e-05 3 2.09788464e-08-3.90075720e-12-2.61820121e+04 2.82655934e+01 4 XO2C7H14OH 6/26/99 THERMC 7H 15O 3 0G 300.0000 5000.0000 1397.00 1 2.73863988e+01 3.45662399e-02-1.17551163e-05 1.81764080e-09-1.05147179e-13 2 -5.18797152e+04-1.10008462e+02 6.44091657e-01 1.03170824e-01-8.37107105e-05 3 3.86082330e-08-7.71254831e-12-4.30083927e+04 3.18439798e+01 4 YO2C7H14OH 6/26/99 THERMC 7H 15O 3 0G 300.0000 5000.0000 1399.00 1 2.82113574e+01 3.39628072e-02-1.15682001e-05 1.79065554e-09-1.03663938e-13 2 -5.43207255e+04-1.15685118e+02-1.02038826e-01 1.08348934e-01-9.12296528e-05 3 4.30166744e-08-8.64566124e-12-4.51219860e+04 3.38468811e+01 4 ACC6H10 5/14/ 3 THERMC 6H 10 0 0G 300.0000 5000.0000 1395.00 1 1.71179863e+01 2.28897637e-02-7.81690438e-06 1.21213325e-09-7.02598741e-14 2 -3.25593212e+03-6.66081005e+01-1.18019401e+00 7.06023900e-02-5.90822959e-05 3 2.81185008e-08-5.75813189e-12 2.77116386e+03 3.02427622e+01 4 ACC6H9-A 5/14/ 3 THERMC 6H 9 0 0G 300.0000 5000.0000 1398.00 1 1.75340261e+01 2.04761944e-02-6.99836000e-06 1.08582750e-09-6.29648075e-14 2 1.49895825e+04-6.90143626e+01-2.16014905e+00 7.54697185e-02-6.96761047e-05 3 3.51708852e-08-7.34581513e-12 2.10955118e+04 3.39059624e+01 4 ACC6H9-D 3/27/97 THERMC 6H 9 0 0G 300.0000 5000.0000 1398.00 1 1.75340261e+01 2.04761944e-02-6.99836000e-06 1.08582750e-09-6.29648075e-14 2 1.49895825e+04-6.90143626e+01-2.16014905e+00 7.54697185e-02-6.96761047e-05 3 3.51708852e-08-7.34581513e-12 2.10955118e+04 3.39059624e+01 4 NEOC5H12 8/ 4/ 4 THERMC 5H 12 0 0G 300.0000 5000.0000 1380.00 1 1.27806765e+01 3.70070524e-02-1.45062377e-05 2.44060047e-09-1.48999316e-13 2 -2.88092744e+04-5.30196076e+01 4.29426201e+00 3.64795059e-02 2.34292349e-06 3 -8.23086693e-09 1.27714970e-12-2.31078513e+04 1.07543770e+00 4 NEOC5H11 8/ 4/ 4 THERMC 5H 11 0 0G 300.0000 5000.0000 1449.00 1 2.03101659e+01 2.14646697e-02-7.72125763e-06 1.23982682e-09-7.36407564e-14 2 -6.46104556e+03-9.01224772e+01 3.66399728e+00 3.34921655e-02 1.63347694e-05 3 -2.72630637e-08 7.96234580e-12 1.78365290e+03 8.40561695e+00 4 NEOC5H11O2H 7/19/ 0 THRMC 5H 12O 2 0G 300.0000 5000.0000 1393.00 1 2.30055594e+01 2.48094574e-02-8.60476532e-06 1.34851605e-09-7.87533536e-14 2 -4.11437314e+04-9.75374852e+01-1.80566236e+00 8.72905989e-02-7.22229350e-05 3 3.28063015e-08-6.40195498e-12-3.28606391e+04 3.43722729e+01 4 NEOC5H11O2 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1392.00 1 2.05483317e+01 2.46304650e-02-8.50918788e-06 1.32989124e-09-7.75131681e-14 2 -2.32284815e+04-8.32629496e+01-8.51062629e-01 7.85161206e-02-6.41961193e-05 3 2.96464429e-08-5.95921097e-12-1.60108727e+04 3.06409825e+01 4 NEOC5H11O 7/19/ 0 THERMC 5H 11O 1 0G 300.0000 5000.0000 1399.00 1 1.91195281e+01 2.30837786e-02-7.83941709e-06 1.21152000e-09-7.00727365e-14 2 -2.14162319e+04-7.85166214e+01-2.71751338e+00 7.78642063e-02-6.23427732e-05 3 2.70623404e-08-5.00646239e-12-1.41941002e+04 3.74925904e+01 4 NEOC5H10OOH 7/19/ 0 THRMC 5H 11O 2 0G 300.0000 5000.0000 1393.00 1 2.25938496e+01 2.26535559e-02-7.87044393e-06 1.23486461e-09-7.21749471e-14 2 -1.60808904e+04-9.13725232e+01-1.03243242e+00 8.26469966e-02-6.94567262e-05 3 3.18679489e-08-6.24483025e-12-8.24715836e+03 3.40545354e+01 4 NEO-C5H10O 7/19/ 0 THERMC 5H 10O 1 0G 300.0000 5000.0000 1403.00 1 1.76460110e+01 2.26810717e-02-7.71282279e-06 1.19323852e-09-6.90742459e-14 2 -2.67720328e+04-7.31845918e+01-6.48214578e+00 8.29603108e-02-6.65890914e-05 3 2.81994531e-08-5.00721877e-12-1.88391704e+04 5.49539837e+01 4 NEOC5H10OOH-O2 7/19/ 0 TC 5H 11O 4 0G 300.0000 5000.0000 1389.00 1 2.64382058e+01 2.43196513e-02-8.50395001e-06 1.33997386e-09-7.85500831e-14 2 -3.52554518e+04-1.07527403e+02 1.51217647e-01 9.27490905e-02-8.16134124e-05 3 3.94415851e-08-8.08858887e-12-2.66205389e+04 3.15901431e+01 4 NEOC5H9Q2 7/19/ 0 THERMC 5H 11O 4 0G 300.0000 5000.0000 1390.00 1 2.84924817e+01 2.23169431e-02-7.85239093e-06 1.24255070e-09-7.30566568e-14 2 -2.81095763e+04-1.16778494e+02 2.57223152e-03 9.66735534e-02-8.64744648e-05 3 4.13465233e-08-8.28735488e-12-1.88603550e+04 3.37665139e+01 4 NEOC5H9Q2-N 7/19/ 0 THRMC 5H 11O 4 0G 300.0000 5000.0000 1389.00 1 2.84283606e+01 2.23619635e-02-7.86547442e-06 1.24430912e-09-7.31466295e-14 2 -3.05699261e+04-1.16012731e+02 1.53947751e+00 9.13006793e-02-7.96441452e-05 3 3.75362423e-08-7.49843366e-12-2.16996540e+04 2.65415730e+01 4 NEOC5KET 7/19/ 0 THERMC 5H 10O 3 0G 300.0000 5000.0000 1392.00 1 2.41117737e+01 2.15583159e-02-7.53756458e-06 1.18774259e-09-6.96319686e-14 2 -5.03742117e+04-9.82448143e+01-6.96414000e-01 8.37393342e-02-7.00226466e-05 3 3.14836604e-08-6.03246406e-12-4.21094171e+04 3.36693336e+01 4 NEOC5KETOX 7/19/ 0 THERMC 5H 9O 2 0G 300.0000 5000.0000 1397.00 1 2.02085594e+01 1.98922444e-02-6.80238854e-06 1.05642957e-09-6.13207764e-14 2 -3.06432903e+04-7.91361942e+01-1.55737788e+00 7.42291484e-02-6.01864322e-05 3 2.58904231e-08-4.69936575e-12-2.34542024e+04 3.65254570e+01 4 NEOC5KEJOL 7/19/ 0 THERMC 5H 9O 2 0G 300.0000 5000.0000 1398.00 1 1.98786165e+01 1.96143658e-02-6.67699815e-06 1.03377708e-09-5.98769869e-14 2 -3.79750046e+04-7.55911625e+01-8.43620122e-01 7.14433281e-02-5.76775025e-05 3 2.47758567e-08-4.49178086e-12-3.11425197e+04 3.44856930e+01 4 IC4H6Q2-II 3/27/97 THERMC 4H 8O 4 0G 300.0000 5000.0000 1395.00 1 2.24051581e+01 1.75562429e-02-6.07364156e-06 9.50166957e-10-5.54197350e-14 2 -3.21709542e+04-8.09527103e+01 4.88176895e+00 6.33865374e-02-5.48966127e-05 3 2.61150457e-08-5.26120241e-12-2.64639137e+04 1.16569648e+01 4 NEOC6H14 7/19/ 0 THERMC 6H 14 0 0G 300.0000 5000.0000 1397.00 1 2.06883286e+01 2.88781796e-02-9.81789236e-06 1.51824834e-09-8.78482687e-14 2 -3.33386885e+04-8.99712155e+01-3.47409552e+00 8.69495284e-02-6.50327173e-05 3 2.67486724e-08-4.81211271e-12-2.50677105e+04 3.93372778e+01 4 FC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1397.00 1 2.02634240e+01 2.67379786e-02-9.08984494e-06 1.40565477e-09-8.13342971e-14 2 -8.26905833e+03-8.37331783e+01-2.69161209e+00 8.22822458e-02-6.22616243e-05 3 2.58243832e-08-4.66153045e-12-4.56003477e+02 3.89685188e+01 4 GC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1390.00 1 2.00983090e+01 2.64273080e-02-8.89430923e-06 1.36679972e-09-7.87612858e-14 2 -9.63637001e+03-8.34840747e+01-2.15286670e+00 7.65761535e-02-5.17584767e-05 3 1.83162378e-08-2.79978091e-12-1.77554971e+03 3.66171853e+01 4 HC6H13 7/19/ 0 THERMC 6H 13 0 0G 300.0000 5000.0000 1397.00 1 2.02634240e+01 2.67379786e-02-9.08984494e-06 1.40565477e-09-8.13342971e-14 2 -8.26905833e+03-8.48303097e+01-2.69161209e+00 8.22822458e-02-6.22616243e-05 3 2.58243832e-08-4.66153045e-12-4.56003477e+02 3.78713874e+01 4 NEOC6H12 2/14/95 C 6H 12 0 0G 300.0000 5000.0000 1398.00 1 1.97012900e+01 2.49282969e-02-8.43267154e-06 1.29989939e-09-7.50557893e-14 2 -1.69225149e+04-8.35496869e+01-3.88743221e+00 8.39411018e-02-6.68441456e-05 3 2.88135732e-08-5.29169815e-12-9.11668577e+03 4.18019243e+01 4 NEOC6H11 2/14/95 C 6H 11 0 0G 300.0000 5000.0000 1397.00 1 1.90679022e+01 2.29697448e-02-7.76782362e-06 1.19718933e-09-6.91168613e-14 2 1.22389445e+04-7.79268506e+01-2.07400515e+00 7.52005317e-02-5.87482705e-05 3 2.49120705e-08-4.52902595e-12 1.93030793e+04 3.46597579e+01 4 FC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1392.00 1 2.37102479e+01 2.91395292e-02-1.00597409e-05 1.57146927e-09-9.15628844e-14 2 -2.73235746e+04-9.77197128e+01-1.08447141e+00 9.09303474e-02-7.31525572e-05 3 3.33247244e-08-6.64661016e-12-1.89019774e+04 3.44745121e+01 4 GC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1394.00 1 2.45260573e+01 2.84490265e-02-9.82240119e-06 1.53453641e-09-8.94178441e-14 2 -2.99286247e+04-1.04413694e+02-2.10787313e+00 9.73734059e-02-8.27251104e-05 3 3.90513860e-08-7.87715533e-12-2.11596545e+04 3.66430126e+01 4 HC6H13O2 7/19/ 0 THERMC 6H 13O 2 0G 300.0000 5000.0000 1392.00 1 2.37102479e+01 2.91395292e-02-1.00597409e-05 1.57146927e-09-9.15628844e-14 2 -2.73235746e+04-9.88168441e+01-1.08447141e+00 9.09303474e-02-7.31525572e-05 3 3.33247244e-08-6.64661016e-12-1.89019774e+04 3.33773808e+01 4 FC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1393.00 1 2.61780187e+01 2.92966710e-02-1.01449987e-05 1.58819921e-09-9.26814265e-14 2 -4.52407367e+04-1.12048962e+02-2.06002646e+00 9.97958997e-02-8.12957173e-05 3 3.65356639e-08-7.09539802e-12-3.57486147e+04 3.83027735e+01 4 GC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1395.00 1 2.70339581e+01 2.86177672e-02-9.92190554e-06 1.55456810e-09-9.07725944e-14 2 -4.78887209e+04-1.19036329e+02-3.18847733e+00 1.06446167e-01-9.08932380e-05 3 4.21933730e-08-8.30260201e-12-3.79838352e+04 4.10096956e+01 4 HC6H13O2H 7/19/ 0 THERMC 6H 14O 2 0G 300.0000 5000.0000 1393.00 1 2.61780187e+01 2.92966710e-02-1.01449987e-05 1.58819921e-09-9.26814265e-14 2 -4.52407367e+04-1.13146093e+02-2.06002646e+00 9.97958997e-02-8.12957173e-05 3 3.65356639e-08-7.09539802e-12-3.57486147e+04 3.72056421e+01 4 FC6H13O 1/16/95 THERMC 6H 13O 1 0G 300.0000 5000.0000 1398.00 1 2.19506802e+01 2.78807846e-02-9.49093306e-06 1.46903638e-09-8.50580133e-14 2 -2.55908870e+04-9.13963469e+01-3.87150240e+00 9.22085280e-02-7.32013430e-05 3 3.16748117e-08-5.87663491e-12-1.69871601e+04 4.59767945e+01 4 GC6H13O 1/16/95 THERMC 6H 13O 1 0G 300.0000 5000.0000 1401.00 1 2.22747766e+01 2.78536708e-02-9.53253346e-06 1.48052850e-09-8.59198553e-14 2 -2.78461160e+04-9.52537429e+01-4.08521687e+00 9.55346989e-02-7.92391929e-05 3 3.58882372e-08-6.90160900e-12-1.92250559e+04 4.43373377e+01 4 HC6H13O 1/16/95 THERMC 6H 13O 1 0G 300.0000 5000.0000 1398.00 1 2.19506802e+01 2.78807846e-02-9.49093306e-06 1.46903638e-09-8.50580133e-14 2 -2.55908870e+04-9.24934783e+01-3.87150240e+00 9.22085280e-02-7.32013430e-05 3 3.16748117e-08-5.87663491e-12-1.69871601e+04 4.48796631e+01 4 FC6H12OOH-F 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1395.00 1 2.52922337e+01 2.77042620e-02-9.54577539e-06 1.48939008e-09-8.67122763e-14 2 -1.99410801e+04-1.04205023e+02-1.41037017e+00 9.58612491e-02-7.99035096e-05 3 3.66347368e-08-7.18141338e-12-1.11195980e+04 3.74329864e+01 4 FC6H12OOH-G 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1388.00 1 2.57676821e+01 2.62258001e-02-8.82270792e-06 1.35621249e-09-7.81931437e-14 2 -2.15096127e+04-1.06354920e+02-1.14253006e+00 9.07883682e-02-6.90555731e-05 3 2.78647029e-08-4.80562764e-12-1.23873397e+04 3.75231854e+01 4 FC6H12OOH-H 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1395.00 1 2.52922337e+01 2.77042620e-02-9.54577539e-06 1.48939008e-09-8.67122763e-14 2 -1.99410801e+04-1.04205023e+02-1.41037017e+00 9.58612491e-02-7.99035096e-05 3 3.66347368e-08-7.18141338e-12-1.11195980e+04 3.74329864e+01 4 GC6H12OOH-F 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1397.00 1 2.61512785e+01 2.70552398e-02-9.33998320e-06 1.45917190e-09-8.50304926e-14 2 -2.25905205e+04-1.10118855e+02-2.23548217e+00 1.01239806e-01-8.75768478e-05 3 4.10774049e-08-8.11290048e-12-1.34034674e+04 3.98075207e+01 4 GC6H12OOH-H 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1397.00 1 2.61512785e+01 2.70552398e-02-9.33998320e-06 1.45917190e-09-8.50304926e-14 2 -2.25905205e+04-1.11215987e+02-2.23548217e+00 1.01239806e-01-8.75768478e-05 3 4.10774049e-08-8.11290048e-12-1.34034674e+04 3.87103894e+01 4 HC6H12OOH-F 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1393.00 1 2.57548319e+01 2.71643102e-02-9.42176702e-06 1.47658143e-09-8.62334695e-14 2 -2.01757512e+04-1.06921398e+02-1.26357852e+00 9.50492423e-02-7.83915881e-05 3 3.55297827e-08-6.92763819e-12-1.11385657e+04 3.67807904e+01 4 HC6H12OOH-G 7/19/ 0 THRMC 6H 13O 2 0G 300.0000 5000.0000 1387.00 1 2.59299895e+01 2.61680725e-02-8.90578623e-06 1.37926008e-09-7.99236377e-14 2 -2.16244490e+04-1.08483297e+02-1.10414808e+00 9.06455078e-02-6.89337433e-05 3 2.79154994e-08-4.86848628e-12-1.23935716e+04 3.62442544e+01 4 FC6H12OOH-FO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1390.00 1 2.95869436e+01 2.88579139e-02-1.00684244e-05 1.58411517e-09-9.27645064e-14 2 -3.93491115e+04-1.23015420e+02-1.00419653e-01 1.05238855e-01-9.06928164e-05 3 4.32094179e-08-8.79819460e-12-2.95086463e+04 3.44125966e+01 4 FC6H12OOH-GO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1392.00 1 3.02838041e+01 2.82247393e-02-9.84085526e-06 1.54763899e-09-9.06019981e-14 2 -4.18866330e+04-1.27188710e+02-8.58350621e-01 1.10499686e-01-9.86489122e-05 3 4.79466741e-08-9.79969270e-12-3.18053657e+04 3.71440732e+01 4 FC6H12OOH-HO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1390.00 1 2.95869436e+01 2.88579139e-02-1.00684244e-05 1.58411517e-09-9.27645064e-14 2 -3.93491115e+04-1.23015420e+02-1.00419653e-01 1.05238855e-01-9.06928164e-05 3 4.32094179e-08-8.79819460e-12-2.95086463e+04 3.44125966e+01 4 GC6H12OOH-FO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1392.00 1 3.02838041e+01 2.82247393e-02-9.84085526e-06 1.54763899e-09-9.06019981e-14 2 -4.18866330e+04-1.27188710e+02-8.58350621e-01 1.10499686e-01-9.86489122e-05 3 4.79466741e-08-9.79969270e-12-3.18053657e+04 3.71440732e+01 4 GC6H12OOH-HO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1392.00 1 3.02838041e+01 2.82247393e-02-9.84085526e-06 1.54763899e-09-9.06019981e-14 2 -4.18866330e+04-1.28285841e+02-8.58350621e-01 1.10499686e-01-9.86489122e-05 3 4.79466741e-08-9.79969270e-12-3.18053657e+04 3.60469418e+01 4 HC6H12OOH-FO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1390.00 1 2.95869436e+01 2.88579139e-02-1.00684244e-05 1.58411517e-09-9.27645064e-14 2 -3.93491115e+04-1.23015420e+02-1.00419653e-01 1.05238855e-01-9.06928164e-05 3 4.32094179e-08-8.79819460e-12-2.95086463e+04 3.44125966e+01 4 HC6H12OOH-GO2 7/19/ 0 TMC 6H 13O 4 0G 300.0000 5000.0000 1392.00 1 3.02838041e+01 2.82247393e-02-9.84085526e-06 1.54763899e-09-9.06019981e-14 2 -4.18866330e+04-1.28285841e+02-8.58350621e-01 1.10499686e-01-9.86489122e-05 3 4.79466741e-08-9.79969270e-12-3.18053657e+04 3.60469418e+01 4 F-FC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1382.00 1 2.13606068e+01 2.67542440e-02-9.13564452e-06 1.41838522e-09-8.23439338e-14 2 -3.03405859e+04-9.34439886e+01-5.61631286e+00 9.16047991e-02-7.13156944e-05 3 3.04220533e-08-5.68652723e-12-2.10794298e+04 5.09821873e+01 4 F-GC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1385.00 1 2.19623594e+01 2.62358857e-02-8.95513764e-06 1.39002454e-09-8.06848444e-14 2 -3.26886731e+04-9.70468290e+01-6.29353401e+00 9.67365594e-02-7.95481588e-05 3 3.56123478e-08-6.84614827e-12-2.32418683e+04 5.33210368e+01 4 F-HC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1387.00 1 1.94772949e+01 2.91330961e-02-1.00192785e-05 1.56171623e-09-9.08729403e-14 2 -4.00439013e+04-8.34061429e+01-7.12439879e+00 9.44758230e-02-7.51875483e-05 3 3.35124405e-08-6.55231119e-12-3.09654059e+04 5.86689644e+01 4 G-HC6H12O 1/22/95 THERMC 6H 12O 1 0G 300.0000 5000.0000 1394.00 1 2.14800220e+01 2.67940165e-02-9.25261115e-06 1.44571833e-09-8.42514010e-14 2 -3.17379959e+04-9.36601850e+01-5.50213570e+00 9.90919970e-02-8.84793617e-05 3 4.33417794e-08-8.91224680e-12-2.30900901e+04 4.83872231e+01 4 NEOC6KETFF 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1392.00 1 2.72727672e+01 2.60688207e-02-9.08873182e-06 1.42942655e-09-8.36881939e-14 2 -5.44690797e+04-1.13104444e+02-9.38730880e-01 9.61927357e-02-7.90403519e-05 3 3.52026134e-08-6.72957263e-12-4.49991414e+04 3.71366718e+01 4 NEOC6KETFG 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1394.00 1 2.81044778e+01 2.54001164e-02-8.86679190e-06 1.39572362e-09-8.17648161e-14 2 -5.70972840e+04-1.18829925e+02-1.80826586e+00 1.01765368e-01-8.70764062e-05 3 3.98807496e-08-7.71163263e-12-4.72756292e+04 3.97256204e+01 4 NEOC6KETFH 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1392.00 1 2.72727672e+01 2.60688207e-02-9.08873182e-06 1.42942655e-09-8.36881939e-14 2 -5.44690797e+04-1.13793925e+02-9.38730880e-01 9.61927357e-02-7.90403519e-05 3 3.52026134e-08-6.72957263e-12-4.49991414e+04 3.64471902e+01 4 NEOC6KETGF 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1390.00 1 2.69796423e+01 2.64361312e-02-9.24205406e-06 1.45616518e-09-8.53596902e-14 2 -5.82301739e+04-1.12931928e+02-1.51381626e+00 9.68481408e-02-7.92674035e-05 3 3.53208755e-08-6.79066287e-12-4.86043724e+04 3.89940475e+01 4 NEOC6KETGH 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1387.00 1 2.68298718e+01 2.65743988e-02-9.29166512e-06 1.46406502e-09-8.58245747e-14 2 -5.81786219e+04-1.12204950e+02 3.54796286e-01 9.10375847e-02-7.30302563e-05 3 3.25350255e-08-6.36071859e-12-4.90788519e+04 2.94087121e+01 4 NEOC6KETHF 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1390.00 1 2.69735434e+01 2.62533275e-02-9.13571109e-06 1.43492261e-09-8.39306598e-14 2 -5.47799811e+04-1.11807412e+02 1.75505651e-01 9.40730022e-02-7.90304969e-05 3 3.66117437e-08-7.28967897e-12-4.58285512e+04 3.06183492e+01 4 NEOC6KETHG 7/19/ 0 THERMC 6H 12O 3 0G 300.0000 5000.0000 1394.00 1 2.81523897e+01 2.53352436e-02-8.83843442e-06 1.39062394e-09-8.14390345e-14 2 -5.71202652e+04-1.19901194e+02-2.54824174e+00 1.06328129e-01-9.50853502e-05 3 4.54261294e-08-9.05663786e-12-4.72627750e+04 4.19750747e+01 4 NEOC6H12OH 6/25/99 THERMC 6H 13O 1 0G 300.0000 5000.0000 1389.00 1 2.24527821e+01 2.60793463e-02-8.68394492e-06 1.32560431e-09-7.60559598e-14 2 -2.84169751e+04-9.17945020e+01-1.72825189e+00 8.16538536e-02-5.69905431e-05 3 2.05593217e-08-3.12688945e-12-2.00325503e+04 3.82521449e+01 4 NEOO2C6H12OH 6/25/99 TRMC 6H 13O 3 0G 300.0000 5000.0000 1401.00 1 2.55026585e+01 2.90372103e-02-9.86973534e-06 1.52576748e-09-8.82548203e-14 2 -4.80028267e+04-1.03838761e+02-2.06538167e-01 9.56909173e-02-7.94544603e-05 3 3.63829414e-08-7.08222160e-12-3.96375392e+04 3.21166606e+01 4 TC4H9CHO 8/16/95 THERMC 5H 10O 1 0G 300.0000 5000.0000 1396.00 1 1.84056359e+01 2.15282423e-02-7.38655530e-06 1.14941999e-09-6.68003745e-14 2 -3.84007074e+04-7.49781499e+01-2.03112419e+00 7.08411867e-02-5.42677871e-05 3 2.24503626e-08-4.01411285e-12-3.14467354e+04 3.42836115e+01 4 TC4H9CO 8/30/95 THERMC 5H 9O 1 0G 300.0000 5000.0000 1397.00 1 1.79864364e+01 1.94014364e-02-6.66715870e-06 1.03859646e-09-6.04064572e-14 2 -1.94387302e+04-7.10575996e+01-1.22128379e+00 6.57968477e-02-5.06647103e-05 3 2.08888721e-08-3.69947395e-12-1.29221802e+04 3.15900952e+01 4 NEOC5H11CHO 2/22/96 THRMC 6H 12O 1 0G 300.0000 5000.0000 1389.00 1 2.18201927e+01 2.52377174e-02-8.54143105e-06 1.31748241e-09-7.61162071e-14 2 -4.29912360e+04-9.04760932e+01-1.18853197e+00 8.08021369e-02-6.16544914e-05 3 2.57378093e-08-4.68091801e-12-3.51515448e+04 3.25509462e+01 4 NEOC5H11CO 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1389.00 1 2.14212795e+01 2.30660325e-02-7.80141198e-06 1.20297700e-09-6.94913508e-14 2 -2.40344335e+04-8.66613498e+01-3.76013135e-01 7.57581712e-02-5.80645592e-05 3 2.41777894e-08-4.36440313e-12-1.66276929e+04 2.98426243e+01 4 TC4H9CHCHO 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1396.00 1 2.14752890e+01 2.36014241e-02-8.10397528e-06 1.26166539e-09-7.33474247e-14 2 -2.27011384e+04-8.90619438e+01-1.65989115e+00 8.11020315e-02-6.50343909e-05 3 2.83231287e-08-5.28960746e-12-1.49690978e+04 3.40829994e+01 4 TC4H8CH2CHO 2/22/96 THRMC 6H 11O 1 0G 300.0000 5000.0000 1389.00 1 2.14180044e+01 2.30596274e-02-7.79730044e-06 1.20214639e-09-6.94356131e-14 2 -1.79314184e+04-8.54574207e+01-3.74329862e-01 7.59928935e-02-5.86643857e-05 3 2.46642176e-08-4.49342509e-12-1.05446435e+04 3.09432015e+01 4 IC4H7CHO 2/9/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1389.00 1 1.54855457e+01 1.95046502e-02-6.72217668e-06 1.04894682e-09-6.10722450e-14 2 -2.09099211e+04-5.37850362e+01 4.32658473e-01 5.47608705e-02-4.02143405e-05 3 1.69205500e-08-3.24031131e-12-1.55761565e+04 2.72612292e+01 4 IC4H7CO 2/9/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1389.00 1 1.50719878e+01 1.73699154e-02-5.99945908e-06 9.37552201e-10-5.46431990e-14 2 -1.95035344e+03-4.98967221e+01 1.24256673e+00 4.97132362e-02-3.65998046e-05 3 1.53484999e-08-2.92288754e-12 2.94844314e+03 2.45678872e+01 4 AC3H4CH2CHO 2/9/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1390.00 1 1.64194720e+01 1.64616603e-02-5.73985444e-06 9.02736216e-10-5.28504586e-14 2 -2.91557237e+03-5.92154949e+01-5.22879694e-01 5.93729388e-02-5.00762473e-05 3 2.33013210e-08-4.65933252e-12 2.74703873e+03 3.08294561e+01 4 IC3H5CHCHO 2/9/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1384.00 1 1.55879026e+01 1.72145243e-02-6.01031631e-06 9.46110380e-10-5.54239488e-14 2 -4.06290615e+03-5.57996905e+01 1.56800360e-01 5.27493468e-02-3.88680022e-05 3 1.60569605e-08-3.01820769e-12 1.44478724e+03 2.74625682e+01 4 IC5H11CHO-B 2/22/96 TERMC 6H 12O 1 0G 300.0000 5000.0000 1396.00 1 2.15744130e+01 2.60224049e-02-8.92999252e-06 1.38968429e-09-8.07654716e-14 2 -4.24974460e+04-8.94714062e+01-2.28586306e+00 8.33306017e-02-6.32978761e-05 3 2.61421975e-08-4.69632114e-12-3.43342021e+04 3.82193934e+01 4 IC5H11CO-B 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1396.00 1 2.11552282e+01 2.38954402e-02-8.21051273e-06 1.27884511e-09-7.43705452e-14 2 -2.35352770e+04-8.55506120e+01-1.47756808e+00 7.83026676e-02-5.97394565e-05 3 2.46250963e-08-4.39620892e-12-1.58096007e+04 3.55314158e+01 4 IC5H10CHO-BA 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1396.00 1 2.10828109e+01 2.39475767e-02-8.22615238e-06 1.28102048e-09-7.44857694e-14 2 -1.73988858e+04-8.39355555e+01-1.40614456e+00 7.82670620e-02-6.00935134e-05 3 2.50356920e-08-4.52085836e-12-9.73735233e+03 3.63049788e+01 4 IC5H10CHO-BC 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1384.00 1 2.14679298e+01 2.27371253e-02-7.63568527e-06 1.17255087e-09-6.75621859e-14 2 -1.89553010e+04-8.56408114e+01-9.55616504e-01 7.24602699e-02-4.82176672e-05 3 1.57745200e-08-2.07629269e-12-1.10350800e+04 3.55316470e+01 4 IC5H10CHO-BD 2/22/96 TRMC 6H 11O 1 0G 300.0000 5000.0000 1396.00 1 2.10828109e+01 2.39475767e-02-8.22615238e-06 1.28102048e-09-7.44857694e-14 2 -1.73988858e+04-8.39355555e+01-1.40614456e+00 7.82670620e-02-6.00935134e-05 3 2.50356920e-08-4.52085836e-12-9.73735233e+03 3.63049788e+01 4 C4H7CHO1-2 2/22/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1396.00 1 1.70314021e+01 1.79985814e-02-6.16116444e-06 9.57152360e-10-5.55594577e-14 2 -2.41120293e+04-6.41312110e+01-9.98869706e-01 6.56890689e-02-5.71985587e-05 3 2.71718450e-08-5.42735757e-12-1.83225501e+04 3.09155135e+01 4 C4H7CO1-2 2/22/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1397.00 1 1.64651768e+01 1.59062251e-02-5.43230323e-06 8.42521096e-10-4.88461570e-14 2 -7.97440238e+03-6.03262022e+01 2.33953310e-01 6.08928354e-02-5.60651666e-05 3 2.79908392e-08-5.77683424e-12-2.93732101e+03 2.45649234e+01 4 C4H6CHO1-23 2/22/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1393.00 1 1.70700605e+01 1.58429731e-02-5.51236151e-06 8.65805032e-10-5.06440128e-14 2 -7.25235917e+03-6.58164188e+01-1.26110384e+00 6.35909373e-02-5.57482839e-05 3 2.62987498e-08-5.21562198e-12-1.30271269e+03 3.10605381e+01 4 C4H6CHO1-24 2/22/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1396.00 1 1.65787886e+01 1.59193750e-02-5.46203212e-06 8.49860281e-10-4.93850669e-14 2 9.62997450e+02-5.88464018e+01-1.82206538e-01 6.08966394e-02-5.43052400e-05 3 2.62315368e-08-5.28727259e-12 6.28348674e+03 2.92869276e+01 4 C4H7CHO2-2 2/22/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1373.00 1 1.85742205e+01 1.76938836e-02-6.28424851e-06 1.00058128e-09-5.90822128e-14 2 -2.83756923e+04-6.41421631e+01 2.77461478e-01 5.75683421e-02-4.04046749e-05 3 1.55225501e-08-2.79324333e-12-2.16343206e+04 3.53606009e+01 4 C4H7CO2-2 2/22/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1374.00 1 1.80523043e+01 1.55168113e-02-5.51619574e-06 8.78829645e-10-5.19148464e-14 2 -1.22500926e+04-6.05758566e+01 1.44708192e+00 5.29866897e-02-3.94403957e-05 3 1.63222831e-08-3.10828204e-12-6.23827339e+03 2.93137407e+01 4 C4H6CHO2-21 2/22/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1375.00 1 2.00498672e+01 1.39851005e-02-5.02791277e-06 8.07075446e-10-4.79266025e-14 2 -1.05860305e+04-7.26624990e+01-1.03349901e+00 6.28575889e-02-4.89928009e-05 3 1.96470919e-08-3.39720524e-12-3.24246781e+03 4.07186055e+01 4 C4H6CHO2-24 2/22/96 THRMC 5H 7O 1 0G 300.0000 5000.0000 1375.00 1 2.00498672e+01 1.39851005e-02-5.02791277e-06 8.07075446e-10-4.79266025e-14 2 -1.05860305e+04-7.26624990e+01-1.03349901e+00 6.28575889e-02-4.89928009e-05 3 1.96470919e-08-3.39720524e-12-3.24246781e+03 4.07186055e+01 4 CH2CCHCH3 11/10/98 THERMC 4H 6 0 0G 300.0000 5000.0000 1381.00 1 1.08905899e+01 1.41994372e-02-4.92125565e-06 7.70807110e-10-4.49953094e-14 2 2.15011362e+03-4.35350039e+01 1.26541552e+00 3.44865997e-02-2.18966725e-05 3 8.06094568e-09-1.47937967e-12 5.81222274e+03 9.13536093e+00 4 TC4H9COCH3 2/22/96 THERMC 6H 12O 1 0G 300.0000 5000.0000 1393.00 1 2.11627268e+01 2.65726365e-02-9.16335571e-06 1.43058385e-09-8.33259468e-14 2 -4.62152762e+04-8.79424446e+01-2.73347213e+00 8.36076881e-02-6.33398797e-05 3 2.63983026e-08-4.84138598e-12-3.79624876e+04 4.01434788e+01 4 TC4H9COCH2 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1395.00 1 2.17668106e+01 2.36161495e-02-8.16684421e-06 1.27747930e-09-7.45104835e-14 2 -2.48535936e+04-9.16957595e+01-3.17150276e+00 8.68063871e-02-7.23503917e-05 3 3.26281007e-08-6.25800211e-12-1.66177130e+04 4.06598569e+01 4 TC4H8COCH3 2/22/96 THERMC 6H 11O 1 0G 300.0000 5000.0000 1393.00 1 2.07384786e+01 2.44442931e-02-8.44209095e-06 1.31932525e-09-7.69007570e-14 2 -2.11499304e+04-8.28146552e+01-1.92339914e+00 7.87902781e-02-6.03075649e-05 3 2.52997780e-08-4.65019704e-12-1.33543170e+04 3.85550012e+01 4 CH2CCHO 2/22/96 THERMC 3H 3O 1 0G 300.0000 5000.0000 1390.00 1 9.78111516e+00 7.50969243e-03-2.61556340e-06 4.11046955e-10-2.40514603e-14 2 1.42109458e+04-2.50589619e+01 1.82113828e+00 2.85008025e-02-2.53433094e-05 3 1.23753408e-08-2.55201731e-12 1.68006302e+04 1.69750758e+01 4 IC3H6CHCHO 2/22/96 THERMC 5H 8O 1 0G 300.0000 5000.0000 1390.00 1 1.63675823e+01 1.87451250e-02-6.45819146e-06 1.00755791e-09-5.86556682e-14 2 -2.62113877e+04-6.09149511e+01 6.66865696e-01 5.72999491e-02-4.51802425e-05 3 2.02429742e-08-4.00576858e-12-2.08243338e+04 2.29922806e+01 4 IC3H6CHCO 2/22/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1391.00 1 1.58085413e+01 1.66403790e-02-5.72382460e-06 8.91951253e-10-5.18812580e-14 2 -1.00768049e+04-5.71506129e+01 1.90005920e+00 5.24857112e-02-4.39951406e-05 3 2.10122789e-08-4.34012491e-12-5.43878144e+03 1.66430559e+01 4 AC3H5CHCHO 2/22/96 THERMC 5H 7O 1 0G 300.0000 5000.0000 1390.00 1 1.72875644e+01 1.57675234e-02-5.51022766e-06 8.67936068e-10-5.08670021e-14 2 -8.23490866e+03-6.63129882e+01-1.88879560e-01 6.12529288e-02-5.38963640e-05 3 2.58920901e-08-5.26562848e-12-2.51034960e+03 2.61486904e+01 4 CH3CHOCHO 11/14/95 THERMC 3H 5O 2 0G 300.0000 5000.0000 1395.00 1 1.27827539e+01 1.21529347e-02-4.21228103e-06 6.59844007e-10-3.85228684e-14 2 -2.15876206e+04-3.94425062e+01 2.77678345e-01 4.42452560e-02-3.75440870e-05 3 1.73994143e-08-3.42963269e-12-1.74725407e+04 2.68287211e+01 4 NEOC7H16 4/11/ 1 THERMC 7H 16 0 0G 300.0000 5000.0000 1397.00 1 2.39323172e+01 3.31782362e-02-1.12668494e-05 1.74099807e-09-1.00684665e-13 2 -3.74376067e+04-1.05923736e+02-3.85236517e+00 1.00021482e-01-7.48487097e-05 3 3.07802484e-08-5.53049722e-12-2.79379532e+04 4.27380612e+01 4 NC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.0000 5000.0000 1397.00 1 2.35128171e+01 3.10371540e-02-1.05393955e-05 1.62859656e-09-9.41860827e-14 2 -1.23723473e+04-9.97211969e+01-3.06145511e+00 9.53126797e-02-7.20101928e-05 3 2.98168103e-08-5.37250916e-12-3.32743495e+03 4.23310043e+01 4 OC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.0000 5000.0000 1390.00 1 2.33667406e+01 3.07319555e-02-1.03508107e-05 1.59137519e-09-9.17310563e-14 2 -1.37611394e+04-9.96108487e+01-2.47121152e+00 8.92777984e-02-6.09267819e-05 3 2.19409898e-08-3.43333628e-12-4.65215785e+03 3.97615892e+01 4 PC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.0000 5000.0000 1390.00 1 2.33667406e+01 3.07319555e-02-1.03508107e-05 1.59137519e-09-9.17310563e-14 2 -1.37611394e+04-9.96108487e+01-2.47121152e+00 8.92777984e-02-6.09267819e-05 3 2.19409898e-08-3.43333628e-12-4.65215785e+03 3.97615892e+01 4 QC7H15 4/11/ 1 THERMC 7H 15 0 0G 300.0000 5000.0000 1397.00 1 2.35128171e+01 3.10371540e-02-1.05393955e-05 1.62859656e-09-9.41860827e-14 2 -1.23723473e+04-1.00818328e+02-3.06145511e+00 9.53126797e-02-7.20101928e-05 3 2.98168103e-08-5.37250916e-12-3.32743495e+03 4.12338729e+01 4 OC7H14 4/11/ 1 THERMC 7H 14 0 0G 300.0000 5000.0000 1395.00 1 2.24887015e+01 2.96738400e-02-1.00479879e-05 1.54993215e-09-8.95338318e-14 2 -2.23887602e+04-9.74258216e+01-3.67362418e+00 9.31154676e-02-7.07661068e-05 3 2.93481826e-08-5.27668580e-12-1.35153501e+04 4.23411034e+01 4 PC7H14 4/11/ 1 THERMC 7H 14 0 0G 300.0000 5000.0000 1398.00 1 2.28180567e+01 2.94777078e-02-9.99646834e-06 1.54338994e-09-8.92080381e-14 2 -2.15020254e+04-9.88364638e+01-4.19682932e+00 9.66402900e-02-7.61866799e-05 3 3.26914516e-08-6.01127579e-12-1.25030734e+04 4.49017693e+01 4 OC7H13-N 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1395.00 1 2.20750395e+01 2.75256463e-02-9.31780257e-06 1.43709007e-09-8.30094636e-14 2 2.63363000e+03-9.12567242e+01-2.87892126e+00 8.83937210e-02-6.79066938e-05 3 2.83696105e-08-5.11478503e-12 1.10541942e+04 4.19154923e+01 4 PC7H13-N 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1399.00 1 2.24002497e+01 2.73317458e-02-9.26655367e-06 1.43052195e-09-8.26789137e-14 2 3.52358572e+03-9.26365807e+01-3.45198628e+00 9.21297822e-02-7.36212199e-05 3 3.18753131e-08-5.87984174e-12 1.20742377e+04 4.47139800e+01 4 PC7H13-O 6/25/99 THERMC 7H 13 0 0G 300.0000 5000.0000 1399.00 1 2.24239478e+01 2.77773712e-02-9.43034332e-06 1.45721528e-09-8.42812364e-14 2 -4.45176600e+03-9.79504584e+01-4.49520153e+00 9.48031197e-02-7.53139832e-05 3 3.22317808e-08-5.87103074e-12 4.47999160e+03 4.51970280e+01 4 PC7H13O-O 5/14/ 3 THERMC 7H 13O 1 0G 300.0000 5000.0000 1398.00 1 2.70665020e+01 2.54409611e-02-8.53248547e-06 1.30919024e-09-7.53950497e-14 2 -1.64049579e+04-1.18704551e+02-4.96182542e+00 1.06712755e-01-8.86891494e-05 3 3.81199379e-08-6.75329765e-12-6.06499843e+03 5.08328527e+01 4 NC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.0000 5000.0000 1392.00 1 2.68728540e+01 3.36470348e-02-1.16095500e-05 1.81291039e-09-1.05603810e-13 2 -3.14187314e+04-1.13276997e+02-1.31515953e+00 1.03332152e-01-8.20880833e-05 3 3.69876998e-08-7.33002477e-12-2.17934976e+04 3.71983103e+01 4 OC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.0000 5000.0000 1394.00 1 2.77264744e+01 3.29353264e-02-1.13674121e-05 1.77549892e-09-1.03442100e-13 2 -3.40462288e+04-1.19516003e+02-2.34411387e+00 1.09728149e-01-9.14396441e-05 3 4.25058464e-08-8.50154162e-12-2.40489972e+04 4.00938584e+01 4 PC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.0000 5000.0000 1394.00 1 2.77264744e+01 3.29353264e-02-1.13674121e-05 1.77549892e-09-1.03442100e-13 2 -3.40462288e+04-1.19516003e+02-2.34411387e+00 1.09728149e-01-9.14396441e-05 3 4.25058464e-08-8.50154162e-12-2.40489972e+04 4.00938584e+01 4 QC7H15O2 4/11/ 1 THERMC 7H 15O 2 0G 300.0000 5000.0000 1392.00 1 2.68728540e+01 3.36470348e-02-1.16095500e-05 1.81291039e-09-1.05603810e-13 2 -3.14187314e+04-1.14374128e+02-1.31515953e+00 1.03332152e-01-8.20880833e-05 3 3.69876998e-08-7.33002477e-12-2.17934976e+04 3.61011790e+01 4 NC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.0000 5000.0000 1393.00 1 2.93521507e+01 3.37808675e-02-1.16838691e-05 1.82763853e-09-1.06594118e-13 2 -4.93390048e+04-1.27668441e+02-2.33182221e+00 1.12365788e-01-9.04556403e-05 3 4.03156037e-08-7.79963586e-12-3.86335888e+04 4.12196524e+01 4 OC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.0000 5000.0000 1395.00 1 3.02387000e+01 3.30982482e-02-1.14644388e-05 1.79509521e-09-1.04769542e-13 2 -5.20056484e+04-1.34157601e+02-3.37257603e+00 1.18599646e-01-9.93097727e-05 3 4.54536841e-08-8.88058840e-12-4.08820506e+04 4.42118392e+01 4 PC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.0000 5000.0000 1395.00 1 3.02387000e+01 3.30982482e-02-1.14644388e-05 1.79509521e-09-1.04769542e-13 2 -5.20056484e+04-1.34157601e+02-3.37257603e+00 1.18599646e-01-9.93097727e-05 3 4.54536841e-08-8.88058840e-12-4.08820506e+04 4.42118392e+01 4 QC7H15O2H 4/11/ 1 THERMC 7H 16O 2 0G 300.0000 5000.0000 1393.00 1 2.93521507e+01 3.37808675e-02-1.16838691e-05 1.82763853e-09-1.06594118e-13 2 -4.93390048e+04-1.28765573e+02-2.33182221e+00 1.12365788e-01-9.04556403e-05 3 4.03156037e-08-7.79963586e-12-3.86335888e+04 4.01225210e+01 4 NC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.0000 5000.0000 1397.00 1 2.54093151e+01 3.21284629e-02-1.09485520e-05 1.69576547e-09-9.82275796e-14 2 -2.95878113e+04-1.08321988e+02-3.21207667e+00 1.02838400e-01-8.05427917e-05 3 3.46262902e-08-6.43132372e-12-1.99723639e+04 4.41881808e+01 4 OC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.0000 5000.0000 1401.00 1 2.60236775e+01 3.15366168e-02-1.07286791e-05 1.65979066e-09-9.60653992e-14 2 -3.19155394e+04-1.13037430e+02-3.74389537e+00 1.07332663e-01-8.76483655e-05 3 3.89179364e-08-7.33801228e-12-2.21581264e+04 4.47488513e+01 4 PC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.0000 5000.0000 1401.00 1 2.60236775e+01 3.15366168e-02-1.07286791e-05 1.65979066e-09-9.60653992e-14 2 -3.19155394e+04-1.13037430e+02-3.74389537e+00 1.07332663e-01-8.76483655e-05 3 3.89179364e-08-7.33801228e-12-2.21581264e+04 4.47488513e+01 4 QC7H15O 4/11/ 1 THERMC 7H 15O 1 0G 300.0000 5000.0000 1397.00 1 2.54093151e+01 3.21284629e-02-1.09485520e-05 1.69576547e-09-9.82275796e-14 2 -2.95878113e+04-1.09419119e+02-3.21207667e+00 1.02838400e-01-8.05427917e-05 3 3.46262902e-08-6.43132372e-12-1.99723639e+04 4.30910494e+01 4 NC7H14OOH-N2 4/11/ 1 TRMC 7H 15O 2 0G 300.0000 5000.0000 1393.00 1 2.89171501e+01 3.16723699e-02-1.09718312e-05 1.71806871e-09-1.00277328e-13 2 -2.42711673e+04-1.22477941e+02-1.50287857e+00 1.07482746e-01-8.73681769e-05 3 3.92146556e-08-7.61502336e-12-1.40286060e+04 3.95458439e+01 4 NC7H14OOH-Q 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1393.00 1 2.89171501e+01 3.16723699e-02-1.09718312e-05 1.71806871e-09-1.00277328e-13 2 -2.42711673e+04-1.22477941e+02-1.50287857e+00 1.07482746e-01-8.73681769e-05 3 3.92146556e-08-7.61502336e-12-1.40286060e+04 3.95458439e+01 4 QC7H14OOH-N 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1393.00 1 2.89171501e+01 3.16723699e-02-1.09718312e-05 1.71806871e-09-1.00277328e-13 2 -2.42711673e+04-1.22477941e+02-1.50287857e+00 1.07482746e-01-8.73681769e-05 3 3.92146556e-08-7.61502336e-12-1.40286060e+04 3.95458439e+01 4 NC7H14OOH-O 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1388.00 1 2.91005958e+01 3.06403148e-02-1.04364477e-05 1.61693646e-09-9.37125604e-14 2 -2.57141598e+04-1.22971294e+02-1.46579832e+00 1.03651596e-01-7.87765404e-05 3 3.21201819e-08-5.66549245e-12-1.52659053e+04 4.06669500e+01 4 NC7H14OOH-P 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1388.00 1 2.91005958e+01 3.06403148e-02-1.04364477e-05 1.61693646e-09-9.37125604e-14 2 -2.57141598e+04-1.22971294e+02-1.46579832e+00 1.03651596e-01-7.87765404e-05 3 3.21201819e-08-5.66549245e-12-1.52659053e+04 4.06669500e+01 4 QC7H14OOH-O 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1388.00 1 2.91005958e+01 3.06403148e-02-1.04364477e-05 1.61693646e-09-9.37125604e-14 2 -2.57141598e+04-1.24068425e+02-1.46579832e+00 1.03651596e-01-7.87765404e-05 3 3.21201819e-08-5.66549245e-12-1.52659053e+04 3.95698186e+01 4 QC7H14OOH-P 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1388.00 1 2.91005958e+01 3.06403148e-02-1.04364477e-05 1.61693646e-09-9.37125604e-14 2 -2.57141598e+04-1.24068425e+02-1.46579832e+00 1.03651596e-01-7.87765404e-05 3 3.21201819e-08-5.66549245e-12-1.52659053e+04 3.95698186e+01 4 OC7H14OOH-N 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1395.00 1 2.98207679e+01 3.09371545e-02-1.07259627e-05 1.68054551e-09-9.81286171e-14 2 -2.69320900e+04-1.27942130e+02-2.47204557e+00 1.13468251e-01-9.58631073e-05 3 4.40927570e-08-8.62613989e-12-1.62900677e+04 4.32824893e+01 4 OC7H14OOH-Q 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1395.00 1 2.98207679e+01 3.09371545e-02-1.07259627e-05 1.68054551e-09-9.81286171e-14 2 -2.69320900e+04-1.29039262e+02-2.47204557e+00 1.13468251e-01-9.58631073e-05 3 4.40927570e-08-8.62613989e-12-1.62900677e+04 4.21853580e+01 4 PC7H14OOH-N 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1395.00 1 2.98207679e+01 3.09371545e-02-1.07259627e-05 1.68054551e-09-9.81286171e-14 2 -2.69320900e+04-1.27942130e+02-2.47204557e+00 1.13468251e-01-9.58631073e-05 3 4.40927570e-08-8.62613989e-12-1.62900677e+04 4.32824893e+01 4 PC7H14OOH-Q 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1395.00 1 2.98207679e+01 3.09371545e-02-1.07259627e-05 1.68054551e-09-9.81286171e-14 2 -2.69320900e+04-1.29039262e+02-2.47204557e+00 1.13468251e-01-9.58631073e-05 3 4.40927570e-08-8.62613989e-12-1.62900677e+04 4.21853580e+01 4 OC7H14OOH-P 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1394.00 1 2.92450713e+01 3.08880713e-02-1.05942735e-05 1.64837346e-09-9.57957646e-14 2 -2.80480457e+04-1.25152418e+02-1.86709156e+00 1.07779848e-01-8.60528329e-05 3 3.71446443e-08-6.87410008e-12-1.76250797e+04 4.05746962e+01 4 PC7H14OOH-O 4/11/ 1 THRMC 7H 15O 2 0G 300.0000 5000.0000 1394.00 1 2.92450713e+01 3.08880713e-02-1.05942735e-05 1.64837346e-09-9.57957646e-14 2 -2.80480457e+04-1.25152418e+02-1.86709156e+00 1.07779848e-01-8.60528329e-05 3 3.71446443e-08-6.87410008e-12-1.76250797e+04 4.05746962e+01 4 NC7H14OOH-N2O2 4/11/ 1 MC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.27461708e+01 3.33884014e-02-1.16304964e-05 1.82791282e-09-1.06960255e-13 2 -4.34464419e+04-1.38563960e+02-4.41390342e-01 1.18189702e-01-1.00547790e-04 3 4.75242791e-08-9.64676012e-12-3.23847723e+04 3.76364899e+01 4 NC7H14OOH-QO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.27461708e+01 3.33884014e-02-1.16304964e-05 1.82791282e-09-1.06960255e-13 2 -4.34464419e+04-1.38563960e+02-4.41390342e-01 1.18189702e-01-1.00547790e-04 3 4.75242791e-08-9.64676012e-12-3.23847723e+04 3.76364899e+01 4 QC7H14OOH-NO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1390.00 1 3.27461708e+01 3.33884014e-02-1.16304964e-05 1.82791282e-09-1.06960255e-13 2 -4.34464419e+04-1.38563960e+02-4.41390342e-01 1.18189702e-01-1.00547790e-04 3 4.75242791e-08-9.64676012e-12-3.23847723e+04 3.76364899e+01 4 NC7H14OOH-OO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.43005026e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 4.03072530e+01 4 NC7H14OOH-PO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.43005026e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 4.03072530e+01 4 QC7H14OOH-OO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.44102158e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 3.92101216e+01 4 QC7H14OOH-PO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.44102158e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 3.92101216e+01 4 OC7H14OOH-NO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.43005026e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 4.03072530e+01 4 OC7H14OOH-QO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.44102158e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 3.92101216e+01 4 PC7H14OOH-NO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.43005026e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 4.03072530e+01 4 PC7H14OOH-QO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1392.00 1 3.34874008e+01 3.27205318e-02-1.13917470e-05 1.78978364e-09-1.04705549e-13 2 -4.60072294e+04-1.44102158e+02-1.18315177e+00 1.23291223e-01-1.08072807e-04 3 5.18892958e-08-1.05449309e-11-3.46823561e+04 3.92101216e+01 4 OC7H14OOH-PO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1394.00 1 3.41658876e+01 3.20899159e-02-1.11621899e-05 1.75269953e-09-1.02495642e-13 2 -4.85303931e+04-1.48149729e+02-1.66140789e+00 1.27321046e-01-1.14168012e-04 3 5.54214948e-08-1.12625234e-11-3.70219443e+04 4.06425069e+01 4 PC7H14OOH-OO2 4/11/ 1 TMC 7H 15O 4 0G 300.0000 5000.0000 1394.00 1 3.41658876e+01 3.20899159e-02-1.11621899e-05 1.75269953e-09-1.02495642e-13 2 -4.85303931e+04-1.48149729e+02-1.66140789e+00 1.27321046e-01-1.14168012e-04 3 5.54214948e-08-1.12625234e-11-3.70219443e+04 4.06425069e+01 4 N-NC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1400.00 1 2.39600679e+01 3.17081086e-02-1.08164227e-05 1.67667029e-09-9.71835390e-14 2 -3.45536521e+04-1.04924111e+02-7.03601647e+00 1.08161323e-01-8.50399088e-05 3 3.58737927e-08-6.44799741e-12-2.42052113e+04 6.01434462e+01 4 N-OC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1403.00 1 2.43151704e+01 3.16174221e-02-1.08281769e-05 1.68270448e-09-9.76960406e-14 2 -3.68187394e+04-1.07165763e+02-7.32176597e+00 1.11691520e-01-9.12152487e-05 3 4.00597872e-08-7.44226742e-12-2.64294461e+04 6.06464828e+01 4 N-PC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1404.00 1 2.37190457e+01 3.25359249e-02-1.11428469e-05 1.73164426e-09-1.00539964e-13 2 -4.69151767e+04-1.05384600e+02-9.16671949e+00 1.15517936e-01-9.39714215e-05 3 4.09603455e-08-7.54241047e-12-3.61073513e+04 6.91105401e+01 4 N-QC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1397.00 1 2.40542367e+01 3.28073531e-02-1.12698568e-05 1.75528559e-09-1.02081564e-13 2 -4.72698312e+04-1.12360308e+02-9.53602144e+00 1.14282209e-01-8.87374282e-05 3 3.66998311e-08-6.48639668e-12-3.59252890e+04 6.69974715e+01 4 O-PC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1398.00 1 2.61457730e+01 3.00656365e-02-1.03865590e-05 1.62345095e-09-9.46351931e-14 2 -3.86309432e+04-1.17318283e+02-7.89290112e+00 1.21814213e-01-1.10154043e-04 3 5.33510578e-08-1.07166801e-11-2.78900249e+04 6.14776373e+01 4 O-QC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1403.00 1 2.43151704e+01 3.16174221e-02-1.08281769e-05 1.68270448e-09-9.76960406e-14 2 -3.68187394e+04-1.08262895e+02-7.32176597e+00 1.11691520e-01-9.12152487e-05 3 4.00597872e-08-7.44226742e-12-2.64294461e+04 5.95493515e+01 4 P-QC7H14O 8/11/98 THERMC 7H 14O 1 0G 300.0000 5000.0000 1400.00 1 2.50907857e+01 3.06905327e-02-1.05420446e-05 1.64145811e-09-9.54300621e-14 2 -3.60242793e+04-1.10902572e+02-6.12068691e+00 1.11234604e-01-9.37712127e-05 3 4.27563019e-08-8.22750747e-12-2.58739046e+04 5.42069920e+01 4 NEOC7KETNN 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1392.00 1 3.04363674e+01 3.05740963e-02-1.06374577e-05 1.67066538e-09-9.77159817e-14 2 -5.85645749e+04-1.28667380e+02-1.18341262e+00 1.08654127e-01-8.80636166e-05 3 3.89195227e-08-7.42495211e-12-4.78884636e+04 3.99258814e+01 4 NEOC7KETNO 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1394.00 1 3.13169138e+01 2.98796239e-02-1.04102037e-05 1.63651310e-09-9.57820698e-14 2 -6.12199749e+04-1.34692108e+02-2.04842686e+00 1.14153912e-01-9.58287170e-05 3 4.33523974e-08-8.33896700e-12-5.01650043e+04 4.25007759e+01 4 NEOC7KETNP 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1394.00 1 3.13169138e+01 2.98796239e-02-1.04102037e-05 1.63651310e-09-9.57820698e-14 2 -6.12199749e+04-1.34692108e+02-2.04842686e+00 1.14153912e-01-9.58287170e-05 3 4.33523974e-08-8.33896700e-12-5.01650043e+04 4.25007759e+01 4 NEOC7KETNQ 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1392.00 1 3.04363674e+01 3.05740963e-02-1.06374577e-05 1.67066538e-09-9.77159817e-14 2 -5.85645749e+04-1.29356861e+02-1.18341262e+00 1.08654127e-01-8.80636166e-05 3 3.89195227e-08-7.42495211e-12-4.78884636e+04 3.92363998e+01 4 NEOC7KETON 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1389.00 1 3.00066367e+01 3.10290360e-02-1.08137527e-05 1.70015598e-09-9.95114830e-14 2 -6.23445597e+04-1.27344197e+02-1.39534131e+00 1.10215134e-01-9.23188330e-05 3 4.27992173e-08-8.55573228e-12-5.18098112e+04 3.96827282e+01 4 NEOC7KETOP 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1393.00 1 3.12785929e+01 3.00300393e-02-1.04882218e-05 1.65141609e-09-9.67601581e-14 2 -6.47145317e+04-1.35965044e+02-4.63191831e+00 1.25056681e-01-1.12423063e-04 3 5.42307873e-08-1.09288882e-11-5.31751957e+04 5.33482923e+01 4 NEOC7KETOQ 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1389.00 1 3.00066367e+01 3.10290360e-02-1.08137527e-05 1.70015598e-09-9.95114830e-14 2 -6.23445597e+04-1.28441329e+02-1.39534131e+00 1.10215134e-01-9.23188330e-05 3 4.27992173e-08-8.55573228e-12-5.18098112e+04 3.85855969e+01 4 NEOC7KETPN 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1389.00 1 2.98298481e+01 3.11235100e-02-1.08337221e-05 1.70193502e-09-9.95601835e-14 2 -6.26866276e+04-1.26412434e+02-4.26050617e-01 1.06187629e-01-8.67220127e-05 3 3.94122657e-08-7.79711399e-12-5.24158627e+04 3.49492839e+01 4 NEOC7KETPO 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1393.00 1 3.10581541e+01 3.01730386e-02-1.05274448e-05 1.65646084e-09-9.70094959e-14 2 -6.50483354e+04-1.34799799e+02-3.49046824e+00 1.20074931e-01-1.05289729e-04 3 4.98455285e-08-9.93956068e-12-5.38018770e+04 4.78585228e+01 4 NEOC7KETPQ 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1386.00 1 2.96622953e+01 3.13109805e-02-1.09077520e-05 1.71441381e-09-1.00322469e-13 2 -6.25754301e+04-1.25603628e+02 1.38257862e+00 1.00668905e-01-8.10188003e-05 3 3.70551410e-08-7.48795363e-12-5.28211055e+04 2.56388966e+01 4 NEOC7KETQN 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1390.00 1 3.01443416e+01 3.07430133e-02-1.06770034e-05 1.67479029e-09-9.78701861e-14 2 -5.88770210e+04-1.27408604e+02-9.95597094e-02 1.06659312e-01-8.82263304e-05 3 4.04259120e-08-8.00501342e-12-4.87130245e+04 3.35502793e+01 4 NEOC7KETQO 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1392.00 1 3.06826803e+01 3.03040962e-02-1.05291370e-05 1.65203675e-09-9.65572652e-14 2 -6.13481931e+04-1.31758344e+02-3.72423415e-01 1.09941550e-01-9.36270154e-05 3 4.38012098e-08-8.74485804e-12-5.10864330e+04 3.29087611e+01 4 NEOC7KETQP 4/11/ 1 THERMC 7H 14O 3 0G 300.0000 5000.0000 1394.00 1 3.13039066e+01 2.98616170e-02-1.03968083e-05 1.63361345e-09-9.55785901e-14 2 -6.12156637e+04-1.35405025e+02-2.77044448e+00 1.18637043e-01-1.03852403e-04 3 4.89784767e-08-9.71471101e-12-5.01539787e+04 4.46716596e+01 4 OC7H14OH 6/25/99 THERMC 7H 15O 1 0G 300.0000 5000.0000 1397.00 1 2.55348915e+01 3.09583295e-02-1.04138045e-05 1.59942150e-09-9.21207426e-14 2 -3.45622090e+04-1.07030724e+02-2.55240295e+00 9.92350666e-02-7.53480118e-05 3 3.08151655e-08-5.40166224e-12-2.51056470e+04 4.28647353e+01 4 PC7H14OH 6/26/99 THERMC 7H 15O 1 0G 300.0000 5000.0000 1388.00 1 2.57545373e+01 3.02484467e-02-1.00728739e-05 1.53768192e-09-8.82256412e-14 2 -3.25758777e+04-1.08064342e+02-1.98607418e+00 9.41188297e-02-6.59100245e-05 3 2.40323182e-08-3.72290647e-12-2.29538304e+04 4.11124820e+01 4 OO2C7H14OH 6/25/99 THERMC 7H 15O 3 0G 300.0000 5000.0000 1401.00 1 2.95980400e+01 3.29031991e-02-1.12314204e-05 1.74128566e-09-1.00925258e-13 2 -5.46444444e+04-1.25066988e+02-1.17798226e+00 1.13050756e-01-9.51939610e-05 3 4.38693951e-08-8.55144516e-12-4.46749338e+04 3.75409306e+01 4 PO2C7H14OH 6/26/99 THERMC 7H 15O 3 0G 300.0000 5000.0000 1400.00 1 2.86706009e+01 3.35327324e-02-1.14137700e-05 1.76613725e-09-1.02226516e-13 2 -5.21342877e+04-1.19424099e+02-4.57483551e-01 1.08170588e-01-8.84829813e-05 3 4.00841591e-08-7.76932134e-12-4.25609625e+04 3.49364613e+01 4 IC8H18 7/20/ 0 THERMC 8H 18 0 0G 300.0000 5000.0000 1396.00 1 2.71373590e+01 3.79004890e-02-1.29437358e-05 2.00760372e-09-1.16400580e-13 2 -4.07801719e+04-1.23258260e+02-4.71178173e+00 1.15036224e-01-8.74555346e-05 3 3.68431242e-08-6.80281773e-12-2.98947394e+04 4.70544412e+01 4 AC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.0000 5000.0000 1396.00 1 2.67069782e+01 3.57660601e-02-1.22178704e-05 1.89536630e-09-1.09907843e-13 2 -1.57080013e+04-1.16982720e+02-3.90007227e+00 1.10238145e-01-8.44897754e-05 3 3.57960467e-08-6.62399194e-12-5.28742364e+03 4.65555687e+01 4 BC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.0000 5000.0000 1393.00 1 2.64569179e+01 3.55420752e-02-1.20520984e-05 1.86089357e-09-1.07571894e-13 2 -1.70277842e+04-1.16231363e+02-3.46343080e+00 1.04982574e-01-7.46579252e-05 3 2.86663542e-08-4.83044410e-12-6.59133885e+03 4.46732472e+01 4 CC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.0000 5000.0000 1390.00 1 2.51497158e+01 3.71096845e-02-1.26854483e-05 1.96873429e-09-1.14193894e-13 2 -1.82644025e+04-1.09042304e+02-4.83048790e-01 9.20270025e-02-5.76954075e-05 3 1.96381531e-08-3.11228143e-12-8.77321929e+03 3.05905224e+01 4 DC8H17 7/20/ 0 THERMC 8H 17 0 0G 300.0000 5000.0000 1396.00 1 2.67069782e+01 3.57660601e-02-1.22178704e-05 1.89536630e-09-1.09907843e-13 2 -1.61106183e+04-1.18079851e+02-3.90007227e+00 1.10238145e-01-8.44897754e-05 3 3.57960467e-08-6.62399194e-12-5.69004065e+03 4.54584374e+01 4 IC8H16 7/20/ 0 THERMC 8H 16 0 0G 300.0000 5000.0000 1394.00 1 2.56756746e+01 3.41801998e-02-1.16002952e-05 1.79195478e-09-1.03613002e-13 2 -2.62325036e+04-1.13911875e+02-3.22669811e+00 1.03915326e-01-7.83566963e-05 3 3.25885769e-08-5.93201851e-12-1.63575143e+04 4.06845414e+01 4 JC8H16 7/20/ 0 THERMC 8H 16 0 0G 300.0000 5000.0000 1397.00 1 2.60101527e+01 3.39703243e-02-1.15422451e-05 1.78422814e-09-1.03212200e-13 2 -2.65034748e+04-1.15342015e+02-3.76709935e+00 1.07519751e-01-8.38887950e-05 3 3.59860300e-08-6.67404350e-12-1.65002915e+04 4.33289738e+01 4 IC8H14 7/27/95 THERMC 8H 14 0 0G 300.0000 5000.0000 1393.00 1 2.31122057e+01 3.20068167e-02-1.09146225e-05 1.69105344e-09-9.79689082e-14 2 -9.87204777e+03-9.50245077e+01-1.19053542e+00 9.08238098e-02-6.86161527e-05 3 2.95664645e-08-5.67806103e-12-1.48052777e+03 3.50961981e+01 4 IC8H15 7/20/ 0 THERMC 8H 15 0 0G 300.0000 5000.0000 1397.00 1 2.60931337e+01 3.17629740e-02-1.07800358e-05 1.66534077e-09-9.62985504e-14 2 -7.98876659e+03-1.15633818e+02-4.21154720e+00 1.08775341e-01-8.89097683e-05 3 3.95971758e-08-7.50554635e-12 1.96833687e+03 4.50708658e+01 4 AC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.02815958e+01 3.78729072e-02-1.30468383e-05 2.03524213e-09-1.18471267e-13 2 -3.47832157e+04-1.31622375e+02-2.43556454e+00 1.19400291e-01-9.58246708e-05 3 4.32546861e-08-8.52205067e-12-2.37097644e+04 4.27408632e+01 4 BC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.09351615e+01 3.74102564e-02-1.29070970e-05 2.01544850e-09-1.17398911e-13 2 -3.77228356e+04-1.36702589e+02-3.81021158e+00 1.27933347e-01-1.09478663e-04 3 5.21236347e-08-1.05827977e-11-2.63279679e+04 4.71272864e+01 4 CC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.09721695e+01 3.73366082e-02-1.28724179e-05 2.00907464e-09-1.16989072e-13 2 -3.79434192e+04-1.38430012e+02-2.49683521e+00 1.23003569e-01-1.02582347e-04 3 4.78849825e-08-9.62268594e-12-2.68201912e+04 3.91771652e+01 4 DC8H17O2 7/20/ 0 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.02815958e+01 3.78729072e-02-1.30468383e-05 2.03524213e-09-1.18471267e-13 2 -3.47832157e+04-1.32719506e+02-2.43556454e+00 1.19400291e-01-9.58246708e-05 3 4.32546861e-08-8.52205067e-12-2.37097644e+04 4.16437318e+01 4 AC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.0000 5000.0000 1394.00 1 3.26877471e+01 3.81543348e-02-1.31904018e-05 2.06264164e-09-1.20273296e-13 2 -5.26862775e+04-1.45624957e+02-3.24745334e+00 1.27563058e-01-1.03005483e-04 3 4.59544765e-08-8.87676805e-12-4.05814979e+04 4.58077159e+01 4 BC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.0000 5000.0000 1395.00 1 3.33795839e+01 3.76075190e-02-1.30106507e-05 2.03549569e-09-1.18729187e-13 2 -5.56381982e+04-1.50913095e+02-4.66475950e+00 1.36180399e-01-1.16648871e-04 3 5.47170991e-08-1.08916679e-11-4.31906367e+04 5.04124318e+01 4 CC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.0000 5000.0000 1394.00 1 3.34492663e+01 3.74760859e-02-1.29495289e-05 2.02432718e-09-1.18013520e-13 2 -5.58645114e+04-1.52813089e+02-3.53619167e+00 1.32142126e-01-1.11148147e-04 3 5.13787011e-08-1.01415512e-11-4.36567299e+04 4.33039775e+01 4 DC8H17O2H 7/20/ 0 THERMC 8H 18O 2 0G 300.0000 5000.0000 1394.00 1 3.26877471e+01 3.81543348e-02-1.31904018e-05 2.06264164e-09-1.20273296e-13 2 -5.26862775e+04-1.46722089e+02-3.24745334e+00 1.27563058e-01-1.03005483e-04 3 4.59544765e-08-8.87676805e-12-4.05814979e+04 4.47105846e+01 4 AC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.0000 5000.0000 1398.00 1 2.88343933e+01 3.63403146e-02-1.23814095e-05 1.91748102e-09-1.11063219e-13 2 -3.29623626e+04-1.26767783e+02-4.29690606e+00 1.18699128e-01-9.38881467e-05 3 4.06058364e-08-7.55033519e-12-2.18929432e+04 4.95748788e+01 4 BC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.0000 5000.0000 1400.00 1 2.91996555e+01 3.62435016e-02-1.23916984e-05 1.92336095e-09-1.11569960e-13 2 -3.52277576e+04-1.30160961e+02-4.50784531e+00 1.22012301e-01-9.98310011e-05 3 4.46941750e-08-8.53277425e-12-2.41317023e+04 4.86047281e+01 4 CC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.0000 5000.0000 1398.00 1 2.94459429e+01 3.59416431e-02-1.22687364e-05 1.90233593e-09-1.10275675e-13 2 -3.64989904e+04-1.32683226e+02-4.39105875e+00 1.22575860e-01-1.01324466e-04 3 4.58608132e-08-8.83678609e-12-2.54034817e+04 4.66000105e+01 4 DC8H17O 7/20/ 0 THERMC 8H 17O 1 0G 300.0000 5000.0000 1398.00 1 2.88343933e+01 3.63403146e-02-1.23814095e-05 1.91748102e-09-1.11063219e-13 2 -3.29623626e+04-1.27175433e+02-4.29690606e+00 1.18699128e-01-9.38881467e-05 3 4.06058364e-08-7.55033519e-12-2.18929432e+04 4.91672291e+01 4 AC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.22733666e+01 3.60035914e-02-1.24584643e-05 1.94942256e-09-1.13722419e-13 2 -2.80251980e+04-1.40547492e+02-2.46823410e+00 1.22898576e-01-1.00217593e-04 3 4.50097883e-08-8.71988087e-12-1.63716705e+04 4.43590086e+01 4 AC8H16OOH-B 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.25510943e+01 3.47986732e-02-1.18444590e-05 1.83415878e-09-1.06263255e-13 2 -2.94983251e+04-1.41551403e+02-2.51660397e+00 1.19345806e-01-9.18363383e-05 3 3.78831548e-08-6.72675786e-12-1.75939684e+04 4.58985433e+01 4 AC8H16OOH-C 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.07262781e+01 3.73278652e-02-1.29171084e-05 2.02116922e-09-1.17905143e-13 2 -2.98286244e+04-1.31564207e+02 8.49635490e-01 1.05149005e-01-7.41377726e-05 3 2.93081965e-08-5.31287122e-12-1.90880500e+04 2.99463543e+01 4 AC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.22733666e+01 3.60035914e-02-1.24584643e-05 1.94942256e-09-1.13722419e-13 2 -2.80251980e+04-1.40547492e+02-2.46823410e+00 1.22898576e-01-1.00217593e-04 3 4.50097883e-08-8.71988087e-12-1.63716705e+04 4.43590086e+01 4 BC8H16OOH-C 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.17641522e+01 3.64992527e-02-1.26438443e-05 1.97989245e-09-1.15559672e-13 2 -3.25516940e+04-1.38914745e+02-9.15004653e-02 1.11017251e-01-8.21763782e-05 3 3.37677869e-08-6.21003241e-12-2.13559170e+04 3.24493377e+01 4 BC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1395.00 1 3.29649795e+01 3.54521526e-02-1.22760697e-05 1.92175602e-09-1.12143669e-13 2 -3.05748740e+04-1.44733375e+02-3.92355757e+00 1.31650585e-01-1.14037217e-04 3 5.38696427e-08-1.07542296e-11-1.85714689e+04 5.02493573e+01 4 BC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1395.00 1 3.29649795e+01 3.54521526e-02-1.22760697e-05 1.92175602e-09-1.12143669e-13 2 -3.05748740e+04-1.45830507e+02-3.92355757e+00 1.31650585e-01-1.14037217e-04 3 5.38696427e-08-1.07542296e-11-1.85714689e+04 4.91522259e+01 4 CC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.30252762e+01 3.53441853e-02-1.22263715e-05 1.91270947e-09-1.11565017e-13 2 -3.07981717e+04-1.47678652e+02-2.72681156e+00 1.27351741e-01-1.08188410e-04 3 5.03411997e-08-9.96708677e-12-1.90490252e+04 4.17191438e+01 4 CC8H16OOH-B 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 3.31608087e+01 3.44400431e-02-1.17524342e-05 1.82282432e-09-1.05717658e-13 2 -3.22364816e+04-1.47938101e+02-2.61317747e+00 1.23115038e-01-9.89124721e-05 3 4.28211875e-08-7.92469873e-12-2.02963731e+04 4.24981501e+01 4 CC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.30252762e+01 3.53441853e-02-1.22263715e-05 1.91270947e-09-1.11565017e-13 2 -3.07981717e+04-1.46581520e+02-2.72681156e+00 1.27351741e-01-1.08188410e-04 3 5.03411997e-08-9.96708677e-12-1.90490252e+04 4.28162751e+01 4 DC8H16OOH-C 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.07262781e+01 3.73278652e-02-1.29171084e-05 2.02116922e-09-1.17905143e-13 2 -2.94260074e+04-1.31966824e+02 8.49635490e-01 1.05149005e-01-7.41377726e-05 3 2.93081965e-08-5.31287122e-12-1.86854330e+04 2.95437372e+01 4 DC8H16OOH-D 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.22733666e+01 3.60035914e-02-1.24584643e-05 1.94942256e-09-1.13722419e-13 2 -2.76225810e+04-1.41644624e+02-2.46823410e+00 1.22898576e-01-1.00217593e-04 3 4.50097883e-08-8.71988087e-12-1.59690535e+04 4.32618772e+01 4 DC8H16OOH-B 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.25510943e+01 3.47986732e-02-1.18444590e-05 1.83415878e-09-1.06263255e-13 2 -2.90957081e+04-1.42648535e+02-2.51660397e+00 1.19345806e-01-9.18363383e-05 3 3.78831548e-08-6.72675786e-12-1.71913514e+04 4.48014119e+01 4 DC8H16OOH-A 7/20/ 0 THRMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 3.22733666e+01 3.60035914e-02-1.24584643e-05 1.94942256e-09-1.13722419e-13 2 -2.76225810e+04-1.40547492e+02-2.46823410e+00 1.22898576e-01-1.00217593e-04 3 4.50097883e-08-8.71988087e-12-1.59690535e+04 4.43590086e+01 4 IC8ETERAA 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1402.00 1 2.76609620e+01 3.54374921e-02-1.20270463e-05 1.85781053e-09-1.07416032e-13 2 -3.72418586e+04-1.22962591e+02-6.27789796e+00 1.20904810e-01-9.71199167e-05 3 4.20634161e-08-7.72339984e-12-2.60751595e+04 5.71746643e+01 4 IC8ETERAB 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1403.00 1 2.76798014e+01 3.59323006e-02-1.23072657e-05 1.91269208e-09-1.11054254e-13 2 -4.05753958e+04-1.25276286e+02-8.30140302e+00 1.27154258e-01-1.04107576e-04 3 4.58615959e-08-8.54420127e-12-2.87699734e+04 6.55339059e+01 4 IC8ETERAC 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1401.00 1 2.74247596e+01 3.63922171e-02-1.24291523e-05 1.92815283e-09-1.11818455e-13 2 -5.27752488e+04-1.27226240e+02-1.01046064e+01 1.31896059e-01-1.08777519e-04 3 4.80901539e-08-8.96275330e-12-4.05147575e+04 7.16386408e+01 4 IC8ETERAD 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1397.00 1 2.74697925e+01 3.70247038e-02-1.27040472e-05 1.97715113e-09-1.14923606e-13 2 -5.21989186e+04-1.30056857e+02-1.05627151e+01 1.29910616e-01-1.01792030e-04 3 4.25343264e-08-7.58167454e-12-3.94153087e+04 7.27999991e+01 4 IC8ETERBC 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1401.00 1 2.91314751e+01 3.43774014e-02-1.17923055e-05 1.83443368e-09-1.06580097e-13 2 -4.33103006e+04-1.34114236e+02-7.12356769e+00 1.30111121e-01-1.13116912e-04 3 5.28952851e-08-1.03332872e-11-3.17325497e+04 5.69145214e+01 4 IC8ETERBD 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1403.00 1 2.76798014e+01 3.59323006e-02-1.23072657e-05 1.91269208e-09-1.11054254e-13 2 -4.05753958e+04-1.26373418e+02-8.30140302e+00 1.27154258e-01-1.04107576e-04 3 4.58615959e-08-8.54420127e-12-2.87699734e+04 6.44367745e+01 4 IC8ETERCD 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1400.00 1 2.86413961e+01 3.45920154e-02-1.18240709e-05 1.83517355e-09-1.06458193e-13 2 -4.05647579e+04-1.30347600e+02-6.31419910e+00 1.24445501e-01-1.03980864e-04 3 4.69125684e-08-8.93203631e-12-2.91897080e+04 5.46427568e+01 4 IC8ETERDD 8/11/98 THERMC 8H 16O 1 0G 300.0000 5000.0000 1400.00 1 2.73556138e+01 3.59638195e-02-1.22682161e-05 1.90171108e-09-1.10226910e-13 2 -3.79160383e+04-1.24297826e+02-8.03955503e+00 1.23704352e-01-9.79911102e-05 3 4.16627113e-08-7.53653065e-12-2.61390256e+04 6.40486814e+01 4 AC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1391.00 1 3.60794609e+01 3.77494166e-02-1.31295433e-05 2.06141539e-09-1.20538637e-13 2 -4.67904962e+04-1.56500052e+02-1.28819213e+00 1.33041581e-01-1.12536689e-04 3 5.27775555e-08-1.06289871e-11-3.43420918e+04 4.19136510e+01 4 AC8H16OOH-BO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.68372436e+01 3.70741924e-02-1.28898032e-05 2.02329750e-09-1.18291456e-13 2 -4.93604783e+04-1.61042699e+02-2.07678936e+00 1.38368254e-01-1.20394665e-04 3 5.73548322e-08-1.15766244e-11-3.66331726e+04 4.47971596e+01 4 AC8H16OOH-CO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.68128611e+01 3.71302833e-02-1.29166292e-05 2.02823475e-09-1.18608345e-13 2 -4.99625765e+04-1.62437907e+02-1.50300960e+00 1.37284188e-01-1.20165669e-04 3 5.78803795e-08-1.18195690e-11-3.74283487e+04 4.01710765e+01 4 AC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1391.00 1 3.60794609e+01 3.77494166e-02-1.31295433e-05 2.06141539e-09-1.20538637e-13 2 -4.67904962e+04-1.56500052e+02-1.28819213e+00 1.33041581e-01-1.12536689e-04 3 5.27775555e-08-1.06289871e-11-3.43420918e+04 4.19136510e+01 4 BC8H16OOH-CO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.75785800e+01 3.64513715e-02-1.26763216e-05 1.99010404e-09-1.16363556e-13 2 -5.25395511e+04-1.68137688e+02-2.32919638e+00 1.42737017e-01-1.28194583e-04 3 6.25802738e-08-1.28028105e-11-3.97125424e+04 4.21355705e+01 4 BC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.68372436e+01 3.70741924e-02-1.28898032e-05 2.02329750e-09-1.18291456e-13 2 -4.93604783e+04-1.61042699e+02-2.07678936e+00 1.38368254e-01-1.20394665e-04 3 5.73548322e-08-1.15766244e-11-3.66331726e+04 4.47971596e+01 4 BC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.68372436e+01 3.70741924e-02-1.28898032e-05 2.02329750e-09-1.18291456e-13 2 -4.93604783e+04-1.62139831e+02-2.07678936e+00 1.38368254e-01-1.20394665e-04 3 5.73548322e-08-1.15766244e-11-3.66331726e+04 4.37000283e+01 4 CC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.68128611e+01 3.71302833e-02-1.29166292e-05 2.02823475e-09-1.18608345e-13 2 -4.99625765e+04-1.62845557e+02-1.50300960e+00 1.37284188e-01-1.20165669e-04 3 5.78803795e-08-1.18195690e-11-3.74283487e+04 3.97634267e+01 4 CC8H16OOH-BO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.75785800e+01 3.64513715e-02-1.26763216e-05 1.99010404e-09-1.16363556e-13 2 -5.25395511e+04-1.68137688e+02-2.32919638e+00 1.42737017e-01-1.28194583e-04 3 6.25802738e-08-1.28028105e-11-3.97125424e+04 4.21355705e+01 4 CC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.68128611e+01 3.71302833e-02-1.29166292e-05 2.02823475e-09-1.18608345e-13 2 -4.99625765e+04-1.62437907e+02-1.50300960e+00 1.37284188e-01-1.20165669e-04 3 5.78803795e-08-1.18195690e-11-3.74283487e+04 4.01710765e+01 4 DC8H16OOH-CO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.68128611e+01 3.71302833e-02-1.29166292e-05 2.02823475e-09-1.18608345e-13 2 -4.99625765e+04-1.62845557e+02-1.50300960e+00 1.37284188e-01-1.20165669e-04 3 5.78803795e-08-1.18195690e-11-3.74283487e+04 3.97634267e+01 4 DC8H16OOH-DO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1391.00 1 3.60794609e+01 3.77494166e-02-1.31295433e-05 2.06141539e-09-1.20538637e-13 2 -4.67904962e+04-1.56907702e+02-1.28819213e+00 1.33041581e-01-1.12536689e-04 3 5.27775555e-08-1.06289871e-11-3.43420918e+04 4.15060013e+01 4 DC8H16OOH-BO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.68372436e+01 3.70741924e-02-1.28898032e-05 2.02329750e-09-1.18291456e-13 2 -4.93604783e+04-1.62139831e+02-2.07678936e+00 1.38368254e-01-1.20394665e-04 3 5.73548322e-08-1.15766244e-11-3.66331726e+04 4.37000283e+01 4 DC8H16OOH-AO2 7/20/ 0 TMC 8H 17O 4 0G 300.0000 5000.0000 1391.00 1 3.60794609e+01 3.77494166e-02-1.31295433e-05 2.06141539e-09-1.20538637e-13 2 -4.67904962e+04-1.56500052e+02-1.28819213e+00 1.33041581e-01-1.12536689e-04 3 5.27775555e-08-1.06289871e-11-3.43420918e+04 4.19136510e+01 4 IC8KETAA 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.37853567e+01 3.48956991e-02-1.21173465e-05 1.90061451e-09-1.11065193e-13 2 -6.30682744e+04-1.46684209e+02-2.24794926e+00 1.24524298e-01-1.01663306e-04 3 4.52199179e-08-8.65053053e-12-5.09713693e+04 4.52028389e+01 4 IC8KETAB 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1394.00 1 3.47134000e+01 3.41945225e-02-1.18952719e-05 1.86805496e-09-1.09255878e-13 2 -6.57555979e+04-1.53012507e+02-2.99092981e+00 1.29383216e-01-1.08258346e-04 3 4.88435637e-08-9.37344220e-12-5.32646396e+04 4.72282708e+01 4 IC8KETAC 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.45066719e+01 3.43206253e-02-1.19269336e-05 1.87169276e-09-1.09412647e-13 2 -6.62404474e+04-1.53255940e+02-2.45596161e+00 1.28807957e-01-1.09472207e-04 3 5.05394766e-08-9.91670774e-12-5.40602785e+04 4.27260170e+01 4 IC8KETAD 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.37853567e+01 3.48956991e-02-1.21173465e-05 1.90061451e-09-1.11065193e-13 2 -6.30682744e+04-1.46684209e+02-2.24794926e+00 1.24524298e-01-1.01663306e-04 3 4.52199179e-08-8.65053053e-12-5.09713693e+04 4.52028389e+01 4 IC8KETBA 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.36880261e+01 3.51530815e-02-1.22449632e-05 1.92459229e-09-1.12625930e-13 2 -6.57290047e+04-1.47524007e+02-4.34348817e+00 1.32068845e-01-1.12109066e-04 3 5.17489402e-08-1.01697258e-11-5.31533725e+04 5.42558549e+01 4 IC8KETBC 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1394.00 1 3.50696425e+01 3.40096645e-02-1.18587999e-05 1.86530452e-09-1.09217949e-13 2 -6.87985425e+04-1.58721996e+02-3.73980239e+00 1.31255601e-01-1.09145979e-04 3 4.86224850e-08-9.20802621e-12-5.58994797e+04 4.75908369e+01 4 IC8KETBD 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.36880261e+01 3.51530815e-02-1.22449632e-05 1.92459229e-09-1.12625930e-13 2 -6.57290047e+04-1.47931656e+02-4.34348817e+00 1.32068845e-01-1.12109066e-04 3 5.17489402e-08-1.01697258e-11-5.31533725e+04 5.38482052e+01 4 IC8KETDA 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1394.00 1 3.37567781e+01 3.48947879e-02-1.21110491e-05 1.89897571e-09-1.10942203e-13 2 -6.33865000e+04-1.46480774e+02-2.51439906e+00 1.25951460e-01-1.04047538e-04 3 4.67864194e-08-9.00933864e-12-5.12895085e+04 4.63832738e+01 4 IC8KETDB 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1395.00 1 3.47542216e+01 3.41135713e-02-1.18569613e-05 1.86098174e-09-1.08799437e-13 2 -6.61023669e+04-1.53616523e+02-3.25937418e+00 1.30737941e-01-1.10306371e-04 3 5.00619562e-08-9.62653939e-12-5.35813001e+04 4.80219295e+01 4 IC8KETDC 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1395.00 1 3.51792772e+01 3.37381618e-02-1.17250740e-05 1.84020986e-09-1.07584482e-13 2 -6.64728491e+04-1.57915789e+02-2.12601669e+00 1.26252583e-01-1.02852153e-04 3 4.48354803e-08-8.32942515e-12-5.40075204e+04 4.06865097e+01 4 IC8KETDD 7/20/ 0 THERMC 8H 16O 3 0G 300.0000 5000.0000 1394.00 1 3.37567781e+01 3.48947879e-02-1.21110491e-05 1.89897571e-09-1.10942203e-13 2 -6.33865000e+04-1.47577906e+02-2.51439906e+00 1.25951460e-01-1.04047538e-04 3 4.67864194e-08-9.00933864e-12-5.12895085e+04 4.52861425e+01 4 CC8H16OH-B 3/ 3/98 THERMC 8H 17O 1 0G 300.0000 5000.0000 1391.00 1 2.99669394e+01 3.36833754e-02-1.12165522e-05 1.71225938e-09-9.82418884e-14 2 -4.15313577e+04-1.32258375e+02-3.22536692e+00 1.13976827e-01-8.65917163e-05 3 3.49246962e-08-5.98603498e-12-3.03705936e+04 4.49273998e+01 4 BC8H16OH-C 3/ 3/98 THERMC 8H 17O 1 0G 300.0000 5000.0000 1396.00 1 2.73071221e+01 3.73062264e-02-1.27306762e-05 1.97331176e-09-1.14355872e-13 2 -4.03205388e+04-1.16354953e+02-4.39284613e-01 1.01574237e-01-7.16068611e-05 3 2.81845474e-08-4.99649220e-12-3.05279464e+04 3.30840370e+01 4 CC8H16OH-BO2 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1400.00 1 3.27331948e+01 3.72943966e-02-1.27101629e-05 1.96840530e-09-1.14001456e-13 2 -5.98777718e+04-1.41644072e+02-1.64355122e+00 1.27925315e-01-1.09255503e-04 3 5.12814019e-08-1.01599549e-11-4.88161146e+04 3.96632248e+01 4 CC8H16O-BO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1400.00 1 3.51419039e+01 3.55476965e-02-1.21767888e-05 1.89258894e-09-1.09895460e-13 2 -5.28710558e+04-1.56454490e+02-2.53537722e+00 1.34568777e-01-1.16346099e-04 3 5.40661620e-08-1.05078201e-11-4.08063176e+04 4.22094574e+01 4 CC8H16OH-D 3/ 3/98 THERMC 8H 17O 1 0G 300.0000 5000.0000 1399.00 1 2.90885755e+01 3.57051012e-02-1.21609712e-05 1.88273709e-09-1.09020453e-13 2 -3.97885108e+04-1.27804129e+02-3.69808172e+00 1.20134483e-01-9.95947928e-05 3 4.53605449e-08-8.78959602e-12-2.90740260e+04 4.57630090e+01 4 DC8H16OH-C 3/ 3/98 THERMC 8H 17O 1 0G 300.0000 5000.0000 1392.00 1 2.69565769e+01 3.74226654e-02-1.27342704e-05 1.97034001e-09-1.14048459e-13 2 -3.80679772e+04-1.12781253e+02-1.84583391e-01 9.81412897e-02-6.55629139e-05 3 2.41160322e-08-4.04182245e-12-2.82978270e+04 3.41177911e+01 4 BC8H16OH-CO2 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1401.00 1 3.25714033e+01 3.73996925e-02-1.27376834e-05 1.97165020e-09-1.14143661e-13 2 -5.91279834e+04-1.40843192e+02-1.81801520e+00 1.29877663e-01-1.13453868e-04 3 5.44263757e-08-1.09460347e-11-4.82156879e+04 3.99386415e+01 4 BC8H16O-CO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1401.00 1 3.49565016e+01 3.56849135e-02-1.22178739e-05 1.89821145e-09-1.10186458e-13 2 -5.21148444e+04-1.55523424e+02-2.61255332e+00 1.36065529e-01-1.19879813e-04 3 5.68148569e-08-1.12091268e-11-4.02197772e+04 4.20401928e+01 4 CC8H16OH-DO2 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1398.00 1 3.23695985e+01 3.77131763e-02-1.28789334e-05 1.99728040e-09-1.15785161e-13 2 -5.80206010e+04-1.38303761e+02-7.51983146e-01 1.22677970e-01-1.01065604e-04 3 4.62276559e-08-9.05774591e-12-4.71149272e+04 3.72405466e+01 4 CC8H16O-DO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1398.00 1 3.47789129e+01 3.59653495e-02-1.23450444e-05 1.92137125e-09-1.11673282e-13 2 -5.10140846e+04-1.53117480e+02-1.64367773e+00 1.29319005e-01-1.08148419e-04 3 4.90041080e-08-9.40284673e-12-3.91051154e+04 3.97864758e+01 4 DC8H16OH-CO2 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1400.00 1 3.20523506e+01 3.76750697e-02-1.27977739e-05 1.97752875e-09-1.14348441e-13 2 -5.67778704e+04-1.36927083e+02-1.06164465e+00 1.24387865e-01-1.04522921e-04 3 4.85609171e-08-9.57068098e-12-4.60658828e+04 3.79245525e+01 4 DC8H16O-CO2H 3/ 3/98 TRMC 8H 17O 3 0G 300.0000 5000.0000 1401.00 1 3.44608014e+01 3.59290140e-02-1.22647176e-05 1.90177205e-09-1.10246328e-13 2 -4.97714060e+04-1.51736500e+02-1.94558998e+00 1.30978583e-01-1.11495365e-04 3 5.12392152e-08-9.88557095e-12-3.80569421e+04 4.04372274e+01 4 NEOC5H11CCH2 10/20/04 C 7H 13 0 0G 300.000 5000.000 1398.000 51 2.21837654E+01 2.75154400E-02-9.32924766E-06 1.44018832E-09-8.32353538E-14 2 8.45673031E+03-9.32173447E+01-2.08892456E+00 8.56713013E-02-6.27529417E-05 3 2.38111180E-08-3.68052623E-12 1.66950040E+04 3.65494536E+01 4 IC6H13CHO-B 3/4/96 THERMC 7H 14O 1 0G 300.0000 5000.0000 1395.00 1 2.46801791e+01 3.05595044e-02-1.04858321e-05 1.63162811e-09-9.48178090e-14 2 -4.65630309e+04-1.04683406e+02-2.46254855e+00 9.55177587e-02-7.20663843e-05 3 2.97728839e-08-5.38446056e-12-3.72336918e+04 4.06923773e+01 4 IC6H13CO-B 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.43249509e+01 2.83881621e-02-9.75334056e-06 1.51900476e-09-8.83292303e-14 2 -2.76321804e+04-1.01146015e+02-1.73431738e+00 9.08146642e-02-6.88323836e-05 3 2.83803965e-08-5.09944408e-12-1.86970308e+04 3.83770669e+01 4 AC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.42514472e+01 2.84438313e-02-9.77077660e-06 1.52152073e-09-8.84667232e-14 2 -2.14965492e+04-9.95272853e+01-1.65572104e+00 9.07372152e-02-6.91179501e-05 3 2.87484317e-08-5.21494647e-12-1.26255864e+04 3.91195514e+01 4 CC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1382.00 1 2.48743929e+01 2.69185384e-02-9.05081747e-06 1.39097340e-09-8.01916208e-14 2 -2.31561721e+04-1.02599631e+02-1.32988883e+00 8.53688117e-02-5.75851526e-05 3 1.95291833e-08-2.75390051e-12-1.39026819e+04 3.89408217e+01 4 DC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1382.00 1 2.48743929e+01 2.69185384e-02-9.05081747e-06 1.39097340e-09-8.01916208e-14 2 -2.31561721e+04-1.02599631e+02-1.32988883e+00 8.53688117e-02-5.75851526e-05 3 1.95291833e-08-2.75390051e-12-1.39026819e+04 3.89408217e+01 4 EC6H12CHO-B 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.42514472e+01 2.84438313e-02-9.77077660e-06 1.52152073e-09-8.84667232e-14 2 -2.14965492e+04-9.95272853e+01-1.65572104e+00 9.07372152e-02-6.91179501e-05 3 2.87484317e-08-5.21494647e-12-1.26255864e+04 3.91195514e+01 4 IC6H13CHO-D 3/4/96 THERMC 7H 14O 1 0G 300.0000 5000.0000 1393.00 1 2.33841323e+01 3.17477398e-02-1.09128332e-05 1.69988637e-09-9.88517244e-14 2 -4.61792953e+04-9.59554844e+01-1.88348806e+00 9.06093591e-02-6.54974499e-05 3 2.64590350e-08-4.80839819e-12-3.72751571e+04 4.00522437e+01 4 IC6H13CO-D 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.29686550e+01 2.96146721e-02-1.01906719e-05 1.58857460e-09-9.24272780e-14 2 -2.72188294e+04-9.20560428e+01-1.07928363e+00 8.55889858e-02-6.19341709e-05 3 2.49275603e-08-4.50238457e-12-1.87496898e+04 3.73852159e+01 4 AC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.29422764e+01 2.96497030e-02-1.02052918e-05 1.59110021e-09-9.25835423e-14 2 -2.11071953e+04-9.07226285e+01-1.02222963e+00 8.56156048e-02-6.22749960e-05 3 2.52879757e-08-4.61039888e-12-1.26759486e+04 3.82219205e+01 4 BC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1384.00 1 2.14175606e+01 3.09495570e-02-1.06544077e-05 1.66125209e-09-9.66692969e-14 2 -2.30210928e+04-8.18755191e+01 2.22663459e+00 6.81786887e-02-3.66695366e-05 3 9.90345956e-09-1.28320781e-12-1.54826998e+04 2.41226310e+01 4 CC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1377.00 1 2.36496570e+01 2.78646436e-02-9.35641593e-06 1.43651362e-09-8.27557401e-14 2 -2.27740219e+04-9.42018723e+01-8.08858842e-01 8.06834877e-02-5.13531675e-05 3 1.63359346e-08-2.18096694e-12-1.39340227e+04 3.85787219e+01 4 DC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1389.00 1 2.32412991e+01 2.94013946e-02-1.01210871e-05 1.57812201e-09-9.18349976e-14 2 -2.67839679e+04-9.47295728e+01 2.81576453e-01 8.29074346e-02-6.03433914e-05 3 2.49636308e-08-4.69501838e-12-1.86476481e+04 2.89362340e+01 4 EC6H12CHO-D 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.29422764e+01 2.96497030e-02-1.02052918e-05 1.59110021e-09-9.25835423e-14 2 -2.11071953e+04-9.07226285e+01-1.02222963e+00 8.56156048e-02-6.22749960e-05 3 2.52879757e-08-4.61039888e-12-1.26759486e+04 3.82219205e+01 4 IC3H7COC3H7-I 3/4/96 TRMC 7H 14O 1 0G 300.0000 5000.0000 1392.00 1 2.33276646e+01 3.20863768e-02-1.10937810e-05 1.73479615e-09-1.01153632e-13 2 -5.00414173e+04-9.77965612e+01-4.32690644e+00 9.99418690e-02-7.89234533e-05 3 3.51453819e-08-6.88896916e-12-4.05680875e+04 4.99743011e+01 4 IC3H7COC3H6-I 3/4/96 TRMC 7H 13O 1 0G 300.0000 5000.0000 1392.00 1 2.29197125e+01 2.99259872e-02-1.03576174e-05 1.62082600e-09-9.45553922e-14 2 -2.49806900e+04-9.20630863e+01-3.61319755e+00 9.55475642e-02-7.65156037e-05 3 3.44248091e-08-6.77984739e-12-1.59451822e+04 4.95278132e+01 4 IC3H7COC3H6-T 3/4/96 TRMC 7H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.30231691e+01 2.97793536e-02-1.02936733e-05 1.60942385e-09-9.38330580e-14 2 -3.05519753e+04-9.55584977e+01-1.14736425e+00 8.73287596e-02-6.60228322e-05 3 2.84374014e-08-5.50462947e-12-2.20835219e+04 3.42416229e+01 4 TC4H9COC2H5 3/4/96 THERMC 7H 14O 1 0G 300.0000 5000.0000 1392.00 1 2.43139145e+01 3.09986190e-02-1.06645066e-05 1.66226165e-09-9.67097097e-14 2 -5.03780658e+04-1.03066317e+02-2.85375013e+00 9.78123790e-02-7.71723811e-05 3 3.40644968e-08-6.58575731e-12-4.11274609e+04 4.19757153e+01 4 TC4H8COC2H5 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1392.00 1 2.38716283e+01 2.88997528e-02-9.95637975e-06 1.55335028e-09-9.04327880e-14 2 -2.53061585e+04-9.78374517e+01-2.05116855e+00 9.30748617e-02-7.43419797e-05 3 3.31455040e-08-6.44608090e-12-1.65191529e+04 4.04135957e+01 4 TC4H9COC2H4S 3/4/96 THRMC 7H 13O 1 0G 300.0000 5000.0000 1394.00 1 2.44311775e+01 2.85604759e-02-9.86991067e-06 1.54307557e-09-8.99661771e-14 2 -3.02463197e+04-1.04193284e+02-3.34699345e+00 9.80056076e-02-7.98222497e-05 3 3.57126431e-08-6.88399700e-12-2.09385041e+04 4.36394365e+01 4 TC4H9COC2H4P 3/4/96 THRMC 7H 13O 1 0G 300.0000 5000.0000 1392.00 1 2.38716283e+01 2.88997528e-02-9.95637975e-06 1.55335028e-09-9.04327880e-14 2 -2.53061585e+04-9.78374517e+01-2.05116855e+00 9.30748617e-02-7.43419797e-05 3 3.31455040e-08-6.44608090e-12-1.65191529e+04 4.04135957e+01 4 NEOC5H11COCH3 3/4/96 TRMC 7H 14O 1 0G 300.0000 5000.0000 1390.00 1 2.43486596e+01 3.06917909e-02-1.05004224e-05 1.63082524e-09-9.46511062e-14 2 -5.07215449e+04-1.03274675e+02-1.91107661e+00 9.37698859e-02-7.12140919e-05 3 3.01579732e-08-5.64700248e-12-4.16667769e+04 3.73865370e+01 4 NEOC5H10COCH3 3/4/96 TRMC 7H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.39256329e+01 2.85722552e-02-9.78428852e-06 1.52057894e-09-8.82932128e-14 2 -2.56579097e+04-9.81574215e+01-1.11593682e+00 8.90548639e-02-6.83708811e-05 3 2.92028793e-08-5.49363912e-12-1.70572989e+04 3.58598309e+01 4 TC4H9CHCOCH3 3/4/96 THRMC 7H 13O 1 0G 300.0000 5000.0000 1394.00 1 2.42666643e+01 2.85991118e-02-9.86099273e-06 1.53937608e-09-8.96576896e-14 2 -3.05277684e+04-1.03315301e+02-2.29486253e+00 9.35001015e-02-7.33797568e-05 3 3.16973522e-08-5.96137236e-12-2.14939271e+04 3.85441448e+01 4 NEOC5H11COCH2 3/4/96 TRMC 7H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.39256329e+01 2.85722552e-02-9.78428852e-06 1.52057894e-09-8.82932128e-14 2 -2.56579097e+04-9.81574215e+01-1.11593682e+00 8.90548639e-02-6.83708811e-05 3 2.92028793e-08-5.49363912e-12-1.70572989e+04 3.58598309e+01 4 NEOC6H13CHO 3/4/96 THERMC 7H 14O 1 0G 300.0000 5000.0000 1390.00 1 2.48969600e+01 2.98733076e-02-1.01450449e-05 1.56812987e-09-9.07200142e-14 2 -4.70504765e+04-1.05547489e+02-1.47970319e+00 9.35171023e-02-7.11656217e-05 3 2.98326535e-08-5.47460448e-12-3.80346650e+04 3.55479769e+01 4 NEOC6H13CO 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.44942743e+01 2.77558577e-02-9.43402090e-06 1.45914685e-09-8.44547842e-14 2 -2.81018065e+04-1.01738147e+02-6.61664136e-01 8.84421842e-02-6.74971254e-05 3 2.82422536e-08-5.15905937e-12-1.95117157e+04 3.28142138e+01 4 FC6H12CHO 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.44790270e+01 2.77234012e-02-9.41318956e-06 1.45492224e-09-8.41703414e-14 2 -2.19844243e+04-1.00441400e+02-6.76242768e-01 8.87646572e-02-6.82738879e-05 3 2.88335461e-08-5.30673093e-12-1.34263539e+04 3.39882546e+01 4 GC6H12CHO 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1379.00 1 2.47015833e+01 2.71261493e-02-9.13422284e-06 1.40508985e-09-8.10539274e-14 2 -2.35608981e+04-1.01443495e+02-4.52626719e-02 8.23430458e-02-5.58070587e-05 3 1.97339941e-08-3.04195252e-12-1.47559944e+04 3.23428103e+01 4 HC6H12CHO 3/4/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.46367754e+01 2.81015703e-02-9.64943101e-06 1.50224000e-09-8.73303956e-14 2 -2.67942712e+04-1.04608687e+02-1.90370518e+00 9.35631073e-02-7.40741809e-05 3 3.20579511e-08-5.99064407e-12-1.78585511e+04 3.68679478e+01 4 IC4H7COCH3 2/22/96 THERMC 6H 10O 1 0G 300.0000 5000.0000 1388.00 1 1.83434395e+01 2.44109312e-02-8.44066563e-06 1.31997092e-09-7.69676934e-14 2 -2.87615261e+04-6.84205580e+01-3.59558805e-01 6.78474158e-02-4.95098206e-05 3 2.08355652e-08-4.02431094e-12-2.20773243e+04 3.24456731e+01 4 IC4H7COCH2 2/22/96 THERMC 6H 9O 1 0G 300.0000 5000.0000 1390.00 1 1.89479328e+01 2.14495345e-02-7.44167879e-06 1.16641630e-09-6.81239978e-14 2 -7.40304798e+03-7.21755301e+01-7.72590848e-01 7.08898636e-02-5.82642854e-05 3 2.68977798e-08-5.40210707e-12-7.35008295e+02 3.28612593e+01 4 IC3H5CHCOCH3 2/22/96 TRMC 6H 9O 1 0G 300.0000 5000.0000 1390.00 1 1.85845410e+01 2.17712979e-02-7.55624175e-06 1.18472459e-09-6.92089797e-14 2 -8.67603770e+03-7.02458471e+01-9.01821108e-01 6.79164060e-02-5.13954528e-05 3 2.16358114e-08-4.05457843e-12-1.87344226e+03 3.43986893e+01 4 AC3H4CH2COCH3 2/22/96 TMC 6H 9O 1 0G 300.0000 5000.0000 1391.00 1 1.87819321e+01 2.19577231e-02-7.60408813e-06 1.19041134e-09-6.94658765e-14 2 -1.05214336e+04-7.09465259e+01-1.33392592e+00 7.26758696e-02-5.99818663e-05 3 2.77586007e-08-5.57046848e-12-3.75375611e+03 3.60842685e+01 4 XC7H13OOH-X1 4/1/96 TRMC 7H 14O 2 0G 300.0000 5000.0000 1394.00 1 2.66362046e+01 3.11410133e-02-1.07093968e-05 1.66864245e-09-9.70500546e-14 2 -3.34355275e+04-1.08669691e+02 2.55243483e-01 9.70000923e-02-7.76612181e-05 3 3.50063523e-08-6.88461170e-12-2.45219901e+04 3.18759495e+01 4 XC7H13O-X1 4/ 1/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.30727261e+01 2.95368852e-02-1.00745564e-05 1.56133137e-09-9.04775996e-14 2 -1.29601398e+04-9.30402255e+01-1.17653126e+00 8.78346586e-02-6.61164759e-05 3 2.77775415e-08-5.15685945e-12-4.61172705e+03 3.68177694e+01 4 YC7H13OOH-X1 4/1/96 TRMC 7H 14O 2 0G 300.0000 5000.0000 1393.00 1 2.64186836e+01 3.13780397e-02-1.08030073e-05 1.68451079e-09-9.80255605e-14 2 -3.47741704e+04-1.07982094e+02 5.20383574e-01 9.45683007e-02-7.34210143e-05 3 3.22186615e-08-6.24723588e-12-2.58790157e+04 3.05074960e+01 4 YC7H13O-X1 4/ 1/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1391.00 1 2.25900151e+01 2.99295397e-02-1.02060513e-05 1.58143556e-09-9.16308406e-14 2 -1.41534729e+04-9.07282392e+01-5.70841306e-01 8.41685382e-02-6.08247231e-05 3 2.46868259e-08-4.50718147e-12-6.02412062e+03 3.38329381e+01 4 OC7H13OOH-N 3/27/97 THRMC 7H 14O 2 0G 300.0000 5000.0000 1397.00 1 2.74150209e+01 3.04497504e-02-1.04670931e-05 1.63063783e-09-9.48366783e-14 2 -3.48145454e+04-1.15263245e+02-7.30677500e-01 9.92331874e-02-7.73819703e-05 3 3.29887776e-08-6.09357189e-12-2.52773581e+04 3.49893061e+01 4 OC7H13O-N 3/28/97 THERMC 7H 13O 1 0G 300.0000 5000.0000 1396.00 1 2.39390176e+01 2.87225504e-02-9.77892351e-06 1.51385879e-09-8.76662134e-14 2 -1.46400056e+04-9.96937390e+01-3.06814809e+00 9.62266772e-02-7.70199583e-05 3 3.36405540e-08-6.29911995e-12-5.65402515e+03 4.39230133e+01 4 XC7H13OOH-Z 4/1/96 THRMC 7H 14O 2 0G 300.0000 5000.0000 1392.00 1 2.77344809e+01 3.06208930e-02-1.06227239e-05 1.66488546e-09-9.72302336e-14 2 -3.54993451e+04-1.16472591e+02-2.14964570e+00 1.08785999e-01-9.46582234e-05 3 4.57042237e-08-9.38552412e-12-2.57033484e+04 4.15776245e+01 4 PC7H13OOH-O 3/27/97 THRMC 7H 14O 2 0G 300.0000 5000.0000 1406.00 1 2.88747280e+01 2.87658684e-02-9.79083754e-06 1.51536577e-09-8.77386311e-14 2 -3.37298208e+04-1.24938287e+02-3.45360018e+00 1.14058271e-01-9.87854855e-05 3 4.51953812e-08-8.55027282e-12-2.35038562e+04 4.52356335e+01 4 OC7H13OOH-Q 3/27/97 THRMC 7H 14O 2 0G 300.0000 5000.0000 1398.00 1 2.75660499e+01 3.03391648e-02-1.04316827e-05 1.62530194e-09-9.45307884e-14 2 -3.44854301e+04-1.15737493e+02-1.27777901e+00 1.03481920e-01-8.50459637e-05 3 3.83229861e-08-7.38589596e-12-2.49382880e+04 3.73723826e+01 4 OC7H13O-Q 4/ 7/97 THERMC 7H 13O 1 0G 300.0000 5000.0000 1392.00 1 2.48114551e+01 2.73357475e-02-9.17594314e-06 1.40814702e-09-8.10840729e-14 2 -1.42919157e+04-1.05663465e+02-2.69763033e+00 9.37634945e-02-7.14930486e-05 3 2.88931375e-08-4.96637275e-12-5.02074367e+03 4.12427520e+01 4 NEOC6H11-H 4/ 7/97 THERMC 6H 11 0 0G 300.0000 5000.0000 1399.00 1 1.95860124e+01 2.25153841e-02-7.60834436e-06 1.17204189e-09-6.76433312e-14 2 1.31874899e+04-8.10384198e+01-2.96763826e+00 8.04203032e-02-6.66190886e-05 3 2.97242284e-08-5.58601613e-12 2.05052477e+04 3.82931116e+01 4 XC7H13OOH-Y2 4/1/96 TRMC 7H 14O 2 0G 300.0000 5000.0000 1397.00 1 2.67879504e+01 3.07897437e-02-1.05385579e-05 1.63676557e-09-9.49819719e-14 2 -3.66586778e+04-1.11674929e+02 4.14986707e-01 9.81718985e-02-8.04825813e-05 3 3.68847458e-08-7.27747941e-12-2.79218950e+04 2.82448641e+01 4 XC7H13O-Y2 4/ 1/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.34502681e+01 2.93961478e-02-1.00625079e-05 1.56299241e-09-9.07095315e-14 2 -1.70687550e+04-9.64967331e+01-1.50904447e+00 9.30511848e-02-7.63035482e-05 3 3.51778293e-08-7.00568524e-12-8.76479193e+03 3.60081453e+01 4 YC7H13OOH-X2 4/1/96 TRMC 7H 14O 2 0G 300.0000 5000.0000 1392.00 1 2.59633940e+01 3.17761504e-02-1.09429861e-05 1.70664641e-09-9.93263248e-14 2 -3.49707836e+04-1.03946032e+02 1.10892601e+00 9.03151890e-02-6.65766514e-05 3 2.78659255e-08-5.26375706e-12-2.62247902e+04 2.97046245e+01 4 YC7H13O-X2 4/ 1/96 THERMC 7H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.22568730e+01 3.03747275e-02-1.03924985e-05 1.61372704e-09-9.36327358e-14 2 -1.46976895e+04-8.70527628e+01-8.30566964e-01 8.56801438e-02-6.40451098e-05 3 2.73065015e-08-5.21709416e-12-6.66462655e+03 3.67701288e+01 4 CC6H11-D 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1391.00 1 1.66759139e+01 2.55188994e-02-8.75271262e-06 1.36122037e-09-7.90628889e-14 2 1.25923734e+04-6.17449262e+01-7.07302082e-02 6.33184892e-02-4.32559028e-05 3 1.72517283e-08-3.24193295e-12 1.86938850e+04 2.89683762e+01 4 DC6H11-D 5/14/ 3 THERMC 6H 11 0 0G 300.0000 5000.0000 1392.00 1 1.71678488e+01 2.50927881e-02-8.60445951e-06 1.33799261e-09-7.77083423e-14 2 1.37848508e+04-6.40957687e+01-4.58970652e-01 6.60341467e-02-4.71529859e-05 3 1.94767421e-08-3.69833872e-12 2.00729867e+04 3.09429190e+01 4 IC3H6CHCOCH3 3/4/96 THRMC 6H 10O 1 0G 300.0000 5000.0000 1386.00 1 1.84663850e+01 2.44259450e-02-8.47213874e-06 1.32761050e-09-7.75224614e-14 2 -3.27271491e+04-7.08814163e+01 4.71993896e-01 6.54943986e-02-4.68907591e-05 3 1.96633693e-08-3.85600031e-12-2.61872106e+04 2.64861987e+01 4 AC3H5CHCOCH3 3/4/96 THRMC 6H 9O 1 0G 300.0000 5000.0000 1386.00 1 1.94093580e+01 2.12803450e-02-7.43394792e-06 1.17058928e-09-6.85879838e-14 2 -1.47219474e+04-7.63142763e+01-7.81247335e-02 6.80333597e-02-5.32835075e-05 3 2.35948246e-08-4.65906934e-12-7.91886074e+03 2.82338242e+01 4 IC3H6CHCOCH2 3/4/96 THRMC 6H 9O 1 0G 300.0000 5000.0000 1388.00 1 1.90576522e+01 2.14419783e-02-7.45801114e-06 1.17093650e-09-6.84668640e-14 2 -1.13590968e+04-7.45459607e+01 2.32849988e-01 6.76156998e-02-5.41036525e-05 3 2.46416107e-08-4.96155190e-12-4.86740900e+03 2.61261812e+01 4 C4H5-N 5/ 6/91 THERMC 4H 5 0 G 300.0000 5000.0000 1404.00 1 1.15652616e+01 1.06404457e-02-3.59727110e-06 5.54155444e-10-3.19775833e-14 2 3.71240815e+04-3.68478074e+01-6.59453468e-01 4.52788214e-02-4.27433906e-05 3 2.12700102e-08-4.29763760e-12 4.07915668e+04 2.67289190e+01 4 C7H6 H 6C 7 G 300.0000 5000.0000 1000.00 1 1.68334800e+01 1.67226500e-02-5.67220600e-06 9.04025300e-10-5.57004300e-14 2 5.19711586e+04-5.93433324e+01 1.10992767e+00 5.67500236e-02-3.00561449e-05 3 -7.51600825e-09 8.44445080e-12 5.62139819e+04 2.21173552e+01 4 CYC5H8 3/ 1/95 THERMC 5H 8 0 G 300.0000 5000.0000 1398.00 1 1.27525879e+01 2.01602949e-02-6.86564327e-06 1.06303695e-09-6.15663048e-14 2 -3.09042474e+03-4.85407083e+01-5.69228710e+00 6.50737218e-02-5.00008828e-05 3 2.08342229e-08-3.74258485e-12 3.14284094e+03 4.99231053e+01 4 CYC6H7 1/19/95 THERMC 6H 7 0 G 300.0000 5000.0000 1397.00 1 1.45807530e+01 1.90472668e-02-6.57818915e-06 1.02815839e-09-5.99380191e-14 2 1.74041914e+04-5.69878049e+01-6.31362147e+00 7.16680970e-02-5.92387188e-05 3 2.61855755e-08-4.89962389e-12 2.42993483e+04 5.39513378e+01 4 CYC5H9 12/15/94 THERMC 5H 9 0 G 300.0000 5000.0000 1378.00 1 1.24946381e+01 2.23549938e-02-7.51362241e-06 1.15415415e-09-6.65065318e-14 2 6.45786578e+03-4.65747224e+01-5.91495836e+00 6.02509014e-02-3.48743675e-05 3 9.13625683e-09-8.27108678e-13 1.32713911e+04 5.39773539e+01 4 HCOHCO 11/18/93 THERMC 2H 2O 2 G 300.0000 5000.0000 1386.00 1 9.75438561e+00 4.97645947e-03-1.74410483e-06 2.75586994e-10-1.61969892e-14 2 -2.95812235e+04-2.61852800e+01 1.81268869e+00 2.41286164e-02-1.94832191e-05 3 7.89461081e-09-1.32020380e-12-2.69212442e+04 1.62009920e+01 4 C6H5CH2CO C 8H 7O 1 G 300.0000 5000.0000 1000.00 1 1.77196103e+01 1.59990428e-02-5.54532150e-06 8.69582681e-10-5.08335220e-14 2 4.76534119e+03-6.80336122e+01-9.93162034e+00 1.26306173e-01-2.23277215e-04 3 2.16016902e-07-8.01221589e-11 1.20677398e+04 6.98351970e+01 4 C12H10 C 12H 100 00 G 300.0000 5000.0000 1000.00 1 2.42890170e+01 3.40066480e-02-1.17224080e-05 1.77292980e-09-9.68125320e-14 2 1.03288095e+04-1.07960602e+02-9.23308983e+00 1.29139555e-01-1.22761281e-04 3 7.25403815e-08-2.14361916e-11 1.98734332e+04 6.57341321e+01 4 C5H91O2-3 2/27/ 9 THERMC 5H 9O 2 0G 300.0000 5000.0000 1391.00 1 1.86702210e+01 2.16216768e-02-7.48512415e-06 1.17139079e-09-6.83358511e-14 2 -5.93392790e+03-6.77948968e+01-1.47327512e-01 7.11809003e-02-6.19511725e-05 3 3.06094623e-08-6.46943510e-12 2.73884220e+02 3.17391124e+01 4 C5H81OOH3-4 THERMC 5H 9O 2 0G 300.0000 5000.0000 1387.00 1 2.04736244e+01 1.93718338e-02-6.65285950e-06 1.03631449e-09-6.02831329e-14 2 -9.19793082e+01-7.51651737e+01-2.05407749e-02 7.05869935e-02-5.80219136e-05 3 2.59643871e-08-4.98716562e-12 6.75322388e+03 3.38705694e+01 4 C5H81OOH3-5 THERMC 5H 9O 2 0G 300.0000 5000.0000 1391.00 1 2.07195327e+01 1.96364025e-02-6.84241764e-06 1.07563823e-09-6.29511640e-14 2 1.21320327e+03-7.63292418e+01-3.40227040e-01 7.53778950e-02-6.73377381e-05 3 3.29295665e-08-6.78284318e-12 8.03898163e+03 3.47978306e+01 4 C5H81OOH4-3 THERMC 5H 9O 2 0G 300.0000 5000.0000 1395.00 1 2.13003585e+01 1.95078183e-02-6.78481644e-06 1.06526973e-09-6.22918022e-14 2 -6.02169587e+03-8.32192275e+01-1.57435493e+00 8.19058401e-02-7.60052361e-05 3 3.78178713e-08-7.78297409e-12 1.17398973e+03 3.67677451e+01 4 C5H81OOH4-5 THERMC 5H 9O 2 0G 300.0000 5000.0000 1392.00 1 2.05400792e+01 1.97587133e-02-6.87784366e-06 1.08045541e-09-6.32025760e-14 2 7.51408046e+02-7.50789760e+01-9.65813528e-02 7.36259822e-02-6.44144403e-05 3 3.09519022e-08-6.30367038e-12 7.50362465e+03 3.40603044e+01 4 C5H91O2-4 2/27/ 9 THERMC 5H 9O 2 0G 300.0000 5000.0000 1391.00 1 1.84021744e+01 2.17923554e-02-7.53113607e-06 1.17721317e-09-6.86192272e-14 2 -6.34651453e+03-6.59988380e+01 3.72493812e-01 6.82415901e-02-5.74296220e-05 3 2.76990287e-08-5.78877156e-12-3.03412479e+02 2.97188706e+01 4 C5H91O2-5 2/27/ 9 THERMC 5H 9O 2 0G 300.0000 5000.0000 1388.00 1 1.77874223e+01 2.23672091e-02-7.74125889e-06 1.21125611e-09-7.06521652e-14 2 -4.10620033e+03-6.29871688e+01 1.01595139e+00 6.33121624e-02-4.96348220e-05 3 2.29052534e-08-4.74818932e-12 1.76291559e+03 2.68914676e+01 4 C5H81OOH5-3 THERMC 5H 9O 2 0G 300.0000 5000.0000 1392.00 1 2.06841270e+01 2.00877308e-02-6.99755273e-06 1.09981315e-09-6.43576906e-14 2 -3.78235671e+03-8.02024086e+01-9.36190806e-01 7.70007326e-02-6.82602573e-05 3 3.30680564e-08-6.75537219e-12 3.24117483e+03 3.39651037e+01 4 C5H81OOH5-4 THERMC 5H 9O 2 0G 300.0000 5000.0000 1378.00 1 1.99797637e+01 1.94783902e-02-6.63044969e-06 1.02741023e-09-5.95687008e-14 2 1.59001863e+03-7.18316943e+01 1.15038984e+00 6.24146840e-02-4.46687451e-05 3 1.71852005e-08-2.93996153e-12 8.24626768e+03 2.97266190e+01 4 C5H92O2-1 2/27/ 9 THERMC 5H 9O 2 0G 300.0000 5000.0000 1382.00 1 1.73081531e+01 2.28361563e-02-7.91701528e-06 1.24017112e-09-7.23964243e-14 2 -4.76307956e+03-6.09831986e+01 2.87865590e+00 5.39262142e-02-3.55502094e-05 3 1.42627190e-08-2.85019273e-12 7.26186680e+02 1.78583086e+01 4 C5H81OOH5-4O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1389.00 1 2.43180086e+01 2.14111651e-02-7.49110481e-06 1.18078372e-09-6.92336785e-14 2 -1.84567607e+04-9.15341126e+01 1.20682831e+00 8.29865064e-02-7.53210809e-05 3 3.75980126e-08-7.89858659e-12-1.09566065e+04 3.03661173e+01 4 C5H81OOH4-5O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1389.00 1 2.43180086e+01 2.14111651e-02-7.49110481e-06 1.18078372e-09-6.92336785e-14 2 -1.84567607e+04-9.15341126e+01 1.20682831e+00 8.29865064e-02-7.53210809e-05 3 3.75980126e-08-7.89858659e-12-1.09566065e+04 3.03661173e+01 4 C5H81OOH3-4O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1391.00 1 2.51899540e+01 2.06629888e-02-7.23143253e-06 1.14009288e-09-6.68582448e-14 2 -2.02809236e+04-9.58743956e+01 9.33585479e-02 9.05230409e-02-8.70494685e-05 3 4.48854801e-08-9.51657734e-12-1.24501443e+04 3.54117155e+01 4 C5H81OOH5-3O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1388.00 1 2.45930237e+01 2.12211773e-02-7.43558644e-06 1.17319038e-09-6.88358634e-14 2 -1.80389498e+04-9.33473113e+01 9.21472835e-01 8.49817428e-02-7.84880636e-05 3 3.96761813e-08-8.39443166e-12-1.04176663e+04 3.12799218e+01 4 C5H81OOH4-3O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1391.00 1 2.51899540e+01 2.06629888e-02-7.23143253e-06 1.14009288e-09-6.68582448e-14 2 -2.02809236e+04-9.58743956e+01 9.33585479e-02 9.05230409e-02-8.70494685e-05 3 4.48854801e-08-9.51657734e-12-1.24501443e+04 3.54117155e+01 4 C5H81OOH3-5O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1388.00 1 2.45930237e+01 2.12211773e-02-7.43558644e-06 1.17319038e-09-6.88358634e-14 2 -1.80389498e+04-9.33473113e+01 9.21472835e-01 8.49817428e-02-7.84880636e-05 3 3.96761813e-08-8.39443166e-12-1.04176663e+04 3.12799218e+01 4 NC5D1KET53 3/ 2/ 9 THERMC 5H 8O 3 0G 300.0000 5000.0000 1385.00 1 2.14757522e+01 1.92472750e-02-6.76598303e-06 1.06986594e-09-6.28685877e-14 2 -3.75722433e+04-8.06924295e+01 1.32407129e+00 7.10325178e-02-6.21108749e-05 3 3.03414178e-08-6.36082388e-12-3.08253226e+04 2.63044244e+01 4 NC5D1KET43 3/ 2/ 9 THERMC 5H 8O 3 0G 300.0000 5000.0000 1385.00 1 2.14757522e+01 1.92472750e-02-6.76598303e-06 1.06986594e-09-6.28685877e-14 2 -3.75722433e+04-8.06924295e+01 1.32407129e+00 7.10325178e-02-6.21108749e-05 3 3.03414178e-08-6.36082388e-12-3.08253226e+04 2.63044244e+01 4 NC5D1KET35 3/ 2/ 9 THERMC 5H 8O 3 0G 300.0000 5000.0000 1385.00 1 2.14757522e+01 1.92472750e-02-6.76598303e-06 1.06986594e-09-6.28685877e-14 2 -3.75722433e+04-8.06924295e+01 1.32407129e+00 7.10325178e-02-6.21108749e-05 3 3.03414178e-08-6.36082388e-12-3.08253226e+04 2.63044244e+01 4 NC5D1KET54 3/ 2/ 9 THERMC 5H 8O 3 0G 300.0000 5000.0000 1385.00 1 2.14757522e+01 1.92472750e-02-6.76598303e-06 1.06986594e-09-6.28685877e-14 2 -3.75722433e+04-8.06924295e+01 1.32407129e+00 7.10325178e-02-6.21108749e-05 3 3.03414178e-08-6.36082388e-12-3.08253226e+04 2.63044244e+01 4 NC5D1KET45 3/ 2/ 9 THERMC 5H 8O 3 0G 300.0000 5000.0000 1385.00 1 2.14757522e+01 1.92472750e-02-6.76598303e-06 1.06986594e-09-6.28685877e-14 2 -3.75722433e+04-8.06924295e+01 1.32407129e+00 7.10325178e-02-6.21108749e-05 3 3.03414178e-08-6.36082388e-12-3.08253226e+04 2.63044244e+01 4 NC5D1KET34 3/ 2/ 9 THERMC 5H 8O 3 0G 300.0000 5000.0000 1385.00 1 2.14757522e+01 1.92472750e-02-6.76598303e-06 1.06986594e-09-6.28685877e-14 2 -3.75722433e+04-8.06924295e+01 1.32407129e+00 7.10325178e-02-6.21108749e-05 3 3.03414178e-08-6.36082388e-12-3.08253226e+04 2.63044244e+01 4 CY3C5H8O 3/ 2/ 9 THERMC 5H 8O 1 0G 300.0000 5000.0000 1402.00 1 1.67912845e+01 1.86881223e-02-6.41180595e-06 9.97554346e-10-5.79620662e-14 2 -1.04887254e+04-6.49707831e+01-4.40089016e+00 7.67717535e-02-7.02950444e-05 3 3.42394496e-08-6.85969551e-12-3.91901587e+03 4.59657730e+01 4 C5H92O2-4 THERMC 5H 9O 2 0G 300.0000 5000.0000 1386.00 1 1.87422756e+01 2.13380683e-02-7.43357984e-06 1.16828688e-09-6.83588686e-14 2 -7.52996880e+03-6.87403129e+01 4.22174114e-01 6.72871342e-02-5.57189419e-05 3 2.66090955e-08-5.58170226e-12-1.24984156e+03 2.89907842e+01 4 C5H92O2-5 THERMC 5H 9O 2 0G 300.0000 5000.0000 1383.00 1 1.78573852e+01 2.20909964e-02-7.69351743e-06 1.20887677e-09-7.07226905e-14 2 -5.70372715e+03-6.32280224e+01 1.58775542e+00 5.94023612e-02-4.33806506e-05 3 1.88973601e-08-3.86039036e-12 2.38767739e+02 2.48308810e+01 4 C5H82OOH4-5 THERMC 5H 9O 2 0G 300.0000 5000.0000 1390.00 1 2.02523998e+01 2.00480932e-02-6.98766359e-06 1.09864079e-09-6.43037097e-14 2 -1.31011044e+02-7.41509091e+01 2.15160825e-01 7.17299721e-02-6.18581652e-05 3 2.96455467e-08-6.07858898e-12 6.51390456e+03 3.20870848e+01 4 C5H82OOH5-4 THERMC 5H 9O 2 0G 300.0000 5000.0000 1386.00 1 1.94018576e+01 2.12205528e-02-7.39842947e-06 1.16347432e-09-6.81095377e-14 2 -5.22138831e+03-7.35991455e+01 2.41318198e-01 6.69819455e-02-5.19317233e-05 3 2.27457600e-08-4.45248018e-12 1.47872891e+03 2.92509883e+01 4 C5H82OOH4-5O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1385.00 1 2.47038351e+01 2.08612744e-02-7.34831615e-06 1.16354536e-09-6.84394748e-14 2 -1.96396472e+04-9.44852019e+01 1.45068553e+00 8.12980055e-02-7.24866569e-05 3 3.57163853e-08-7.48766785e-12-1.19374425e+04 2.87111448e+01 4 C5H82OOH5-4O2 THERMC 5H 9O 4 0G 300.0000 5000.0000 1385.00 1 2.47038351e+01 2.08612744e-02-7.34831615e-06 1.16354536e-09-6.84394748e-14 2 -1.96396472e+04-9.44852019e+01 1.45068553e+00 8.12980055e-02-7.24866569e-05 3 3.57163853e-08-7.48766785e-12-1.19374425e+04 2.87111448e+01 4 NC5D2KET45 THERMC 5H 8O 3 0G 300.0000 5000.0000 1379.00 1 2.09987749e+01 1.97036451e-02-6.93515196e-06 1.09752667e-09-6.45309266e-14 2 -3.79767190e+04-7.93337349e+01 3.27479131e+00 6.12315383e-02-4.73682154e-05 3 2.12600227e-08-4.35827216e-12-3.16232277e+04 1.62299189e+01 4 NC5D2KET54 THERMC 5H 8O 3 0G 300.0000 5000.0000 1386.00 1 2.16296900e+01 1.91055629e-02-6.71524234e-06 1.06179912e-09-6.23944658e-14 2 -3.52896563e+04-8.07499320e+01 1.21176688e+00 6.94219453e-02-5.72386706e-05 3 2.60634030e-08-5.16562200e-12-2.83247918e+04 2.82651753e+01 4 PBZ C 9H 120 00 0G 300.0000 3000.0000 1000.00 1 1.95645600e+01 3.37187500e-02-1.12799700e-05 1.78064900e-09-1.09008600e-13 2 -8.65161329e+03-7.90330621e+01-6.19602392e+00 1.06033829e-01-9.80786735e-05 3 6.14751555e-08-1.95593064e-11-1.14923463e+03 5.49634260e+01 4 C6H5CHCO 4/23/ 9 THERMC 8H 6O 1 0G 300.0000 5000.0000 1401.00 1 2.12378901e+01 1.81721744e-02-6.29966472e-06 9.87075175e-10-5.76415017e-14 2 -4.23465601e+03-8.76460570e+01-3.52654967e+00 8.64129149e-02-8.14108204e-05 3 3.99335987e-08-7.97725757e-12 3.37578236e+03 4.18079873e+01 4 C6H5CH2CHCO 23/ 9 THERMC 9H 8O 1 0G 300.0000 5000.0000 1397.00 1 2.36796575e+01 2.34528152e-02-8.15256937e-06 1.27968269e-09-7.48196974e-14 2 -7.18853724e+03-9.84346650e+01-5.24021608e+00 1.00374601e-01-9.03071751e-05 3 4.30812223e-08-8.52210146e-12 2.00011776e+03 5.37667864e+01 4 C6H5COCH2CH2O2 23/9THERGC 9H 9O 3 0G 300.0000 5000.0000 1000.00 1 1.23650690e+01 4.93552830e-02-1.85772440e-05 3.18550390e-09-2.06492130e-13 2 -1.35112317e+04-2.66955161e+01 2.11239089e+00 7.08617577e-02 1.30213729e-05 3 -8.35204415e-08 4.36470398e-11-1.16388832e+04 2.47602910e+01 4 C6H5COCH2CH2O2H 23/9THERC 9H 10O 3 0G 300.0000 5000.0000 1000.00 1 1.00934320e+01 5.66170400e-02-2.27915440e-05 4.09588190e-09-2.74356740e-13 2 -3.04824573e+04-1.28110224e+01 3.48110647e+00 6.65046458e-02 2.54982053e-05 3 -9.56971319e-08 4.79536275e-11-2.96078611e+04 2.00401656e+01 4 C6H5COCH2CH2O 23/9THERGC 9H 9O 2 0G 300.0000 5000.0000 1000.00 1 1.00041930e+01 4.92104220e-02-1.86429550e-05 3.21017170e-09-2.08638490e-13 2 -1.26701120e+04-1.73991789e+01 2.33072388e-01 7.08329717e-02 5.39439542e-06 3 -7.06476958e-08 3.77604495e-11-1.08520671e+04 3.15831233e+01 4 C6H5CH2COCH2O2H 23/9THERC 9H 10O 3 0G 300.0000 5000.0000 1385.00 1 2.92927914e+01 2.82538142e-02-9.95783397e-06 1.57742365e-09-9.28147563e-14 2 -3.55352013e+04-1.22760224e+02-2.71552993e+00 1.06927452e-01-8.83453519e-05 3 3.99229344e-08-7.82843384e-12-2.46315010e+04 4.81479344e+01 4 C6H5CH2COCH2O2 23/9 THERC 9H 9O 3 0G 300.0000 5000.0000 1384.00 1 2.68320478e+01 2.80831929e-02-9.86628502e-06 1.55954244e-09-9.16223861e-14 2 -1.62595360e+04-1.07776072e+02-1.74348118e+00 9.81001511e-02-8.02710928e-05 3 3.67563140e-08-7.38984115e-12-6.42615983e+03 4.50204190e+01 4 C6H5CH2COCH2O 23/9 THERMC 9H 9O 2 0G 300.0000 5000.0000 1387.00 1 2.50921142e+01 2.70954097e-02-9.44950492e-06 1.48654354e-09-8.70498915e-14 2 -1.54463368e+04-1.01934811e+02-3.46650138e+00 9.71057208e-02-7.85805286e-05 3 3.48062145e-08-6.69610415e-12-5.73373776e+03 5.05552053e+01 4 CHOCHO C 2H 2O 20 0G 300.0000 5000.0000 1000.00 1 8.02132500e+00 7.57293100e-03-3.11667200e-06 5.86455000e-10-4.11322600e-14 2 -2.87401358e+04-1.62328607e+01 2.13620319e+00 2.25621096e-02-1.75458071e-05 3 8.01767654e-09-2.14727553e-12-2.69764684e+04 1.46949714e+01 4 NC8H18 BURCAT P 4/85C 8.H 18. 0. 0.G 200.0000 6000.0000 1000.00 1 2.09430708e+01 4.41691018e-02-1.53261633e-05 2.30544803e-09-1.29765727e-13 2 -3.55184353e+04-8.10004551e+01 6.59565120e+00 3.99258405e-02 7.60590238e-05 3 -1.10345464e-07 3.97266400e-11-2.93196673e+04 4.24487869e+00 4 C8H16-1 BURCAT N 4/87C 8.H 16. 0. 0.G 200.0000 6000.0000 1000.00 1 2.43378771e+01 3.22574569e-02-1.03389736e-05 1.65359772e-09-1.00909018e-13 2 -2.13792947e+04-9.81749461e+01 4.00888366e+00 5.30590698e-02 3.41284233e-05 3 -6.83700611e-08 2.49827334e-11-1.37843871e+04 1.62877633e+01 4 C8H16-2 THERGAS C 8H 16O 0 G 300.0000 5000.0000 1000.00 1 2.05153180e+01 3.83953790e-02-1.24048710e-05 1.91248770e-09-1.15293120e-13 2 -2.14704169e+04-7.79109923e+01-2.61085280e+00 1.05252166e-01-1.04402027e-04 3 7.78411217e-08-2.77773872e-11-1.45566606e+04 4.25867059e+01 4 C8H16-3 THERGAS C 8H 16O 0 G 300.0000 5000.0000 1000.00 1 2.05156780e+01 3.84729770e-02-1.24391300e-05 1.91726880e-09-1.15481500e-13 2 -2.15176888e+04-7.80873252e+01-3.57425858e+00 1.07517838e-01-1.02645524e-04 3 7.15552203e-08-2.45019634e-11-1.44135762e+04 4.72623675e+01 4 C8H16-4 THERGAS C 8H 16O 0 G 300.0000 5000.0000 1000.00 1 2.05156780e+01 3.84729770e-02-1.24391300e-05 1.91726880e-09-1.15481500e-13 2 -2.15176888e+04-7.87804062e+01-3.57425858e+00 1.07517838e-01-1.02645524e-04 3 7.15552203e-08-2.45019634e-11-1.44135762e+04 4.65692865e+01 4 NC4H9COC2H4P 2/22/96 TRMC 7H 13O 1 0G 300.0000 5000.0000 1000.00 1 -2.77093530e-01 6.32560850e-02-2.43083920e-05 4.22844250e-09-2.76816820e-13 2 -1.26377628e+04 4.33781177e+01 4.24458022e+00 4.88365569e-02 4.41977378e-05 3 -1.07611928e-07 5.29552779e-11-1.54713755e+04 1.62820649e+01 4 NC6H13COCH2 4/9/09 THERGC 8H 15O 1 0G 300.0000 5000.0000 1000.00 1 1.30958790e+01 5.15302200e-02-1.79556740e-05 2.91583290e-09-1.81957060e-13 2 -2.20887320e+04-3.13755816e+01 3.18912822e-01 8.78583812e-02-4.07405056e-05 3 -9.39112295e-09 1.13586353e-11-1.91122821e+04 3.31659991e+01 4 NC5H11COC2H4P 2/22/96TRMC 8H 15O 1 0G 300.0000 5000.0000 1000.00 1 1.21782970e+00 7.00428490e-02-2.67647960e-05 4.63919610e-09-3.03049200e-13 2 -1.59365920e+04 3.74393385e+01 4.24722484e+00 5.89213042e-02 4.21874484e-05 3 -1.12018239e-07 5.54942910e-11-1.83844055e+04 1.80949174e+01 4 NC7H15COCH2 4/9/09 THERGC 9H 17O 1 0G 300.0000 5000.0000 1000.00 1 1.48727130e+01 5.78549020e-02-2.01837960e-05 3.27978800e-09-2.04726970e-13 2 -2.55015216e+04-3.88953198e+01 3.11608629e-01 9.82356672e-02-4.40224120e-05 3 -1.19408580e-08 1.30348743e-11-2.20273532e+04 3.49914170e+01 4 NC6H13COC2H4P 2/22/96TRMC 9H 17O 1 0G 300.0000 5000.0000 1000.00 1 3.03630810e+00 7.62698720e-02-2.89142860e-05 4.98140860e-09-3.23885180e-13 2 -1.93634700e+04 2.96955508e+01 4.00574560e+00 7.08814224e-02 3.51927336e-05 3 -1.10945032e-07 5.59145478e-11-2.12737657e+04 2.09163921e+01 4 C6H5CH2HCO C 8H 8O 1 0G 300.0000 5000.0000 1392.00 1 2.07189090e+01 2.34657288e-02-8.16859744e-06 1.28349619e-09-7.50981560e-14 2 -1.59631879e+04-8.38418230e+01-5.01966861e+00 8.65149536e-02-6.95673459e-05 3 3.00541556e-08-5.57692411e-12-7.27134511e+03 5.34845377e+01 4 C6H4C2H3 T12/07C 8.H 7. 0. 0.G 200.0000 6000.0000 1000.00 1 1.57334515e+01 2.38965492e-02-8.60829763e-06 1.39223384e-09-8.35065775e-14 2 4.09194388e+04-5.82069719e+01-2.63222650e+00 6.62296406e-02-3.52857605e-05 3 1.21059724e-09 2.80817943e-12 4.64781306e+04 3.90019013e+01 4 C6H5COCH2 5/99 THERMC 8H 7O 1 0G 300.0000 5000.0000 1393.00 1 2.06377587e+01 2.09842204e-02-7.31094395e-06 1.14935927e-09-6.72742545e-14 2 3.46627206e+04-8.22434606e+01-3.26497311e+00 8.08235011e-02-6.71333002e-05 3 2.98973168e-08-5.66522232e-12 4.26134479e+04 4.48457535e+01 4 C6H5CCO C 8H 5O 1 0G 300.0000 5000.0000 1391.00 1 2.05717606e+00 1.65626187e-02-5.73631528e-06 8.98556853e-10-5.24719633e-14 2 1.55073304e+04 3.41819525e+01 6.42903405e+01-3.75490547e-01 9.25801713e-04 3 -8.23099816e-07 2.39925984e-10-6.21802187e+03-2.57473502e+02 4 PBZJA C 9H 110 00 0G 300.0000 3000.0000 1000.00 1 2.17414800e+01 2.69099200e-02-7.90011500e-06 1.13694600e-09-6.53509500e-14 2 1.51068835e+04-8.86646068e+01-7.13798473e+00 1.15679268e-01-1.28006746e-04 3 9.05600244e-08-2.92716810e-11 2.31227145e+04 5.96055258e+01 4 PBZJB C 9H 110 00 0G 300.0000 3000.0000 1000.00 1 2.11298500e+01 2.74250100e-02-8.07872700e-06 1.16627600e-09-6.72191000e-14 2 1.47840921e+04-8.50786135e+01-6.32504874e+00 1.10879218e-01-1.20392092e-04 3 8.52499745e-08-2.78368628e-11 2.24826789e+04 5.61900934e+01 4 PBZJC C 9H 110 00 0G 300.0000 3000.0000 1000.00 1 2.03510200e+01 2.87417200e-02-8.63546200e-06 1.26215600e-09-7.32408800e-14 2 8.08318571e+03-8.17465079e+01-5.91256380e+00 1.07100264e-01-1.13350539e-04 3 8.06710150e-08-2.68619823e-11 1.55780570e+04 5.39024625e+01 4 BPHPROPY C 9H 110 00 0G 300.0000 3000.0000 1000.00 1 1.87734700e+01 3.20174900e-02-1.01677600e-05 1.54899600e-09-9.26423700e-14 2 1.44271990e+04-7.26178572e+01-6.56661298e+00 1.08148377e-01-9.80107095e-05 3 5.02025673e-08-1.16940677e-11 2.11397141e+04 5.68983222e+01 4 C6H5C3H5-1 14/ 6 THERMC 9H 10 0 0G 300.0000 5000.0000 1394.00 1 2.16587276e+01 2.75881451e-02-9.55076467e-06 1.49500893e-09-8.72399867e-14 2 5.21413862e+03-9.05303967e+01-6.73022141e+00 9.92871304e-02-8.24676547e-05 3 3.73402343e-08-7.22802795e-12 1.46435298e+04 6.02771613e+01 4 C6H5C3H5-2 14/ 6 THERMC 9H 10 0 0G 300.0000 5000.0000 1394.00 1 2.19853383e+01 2.70638184e-02-9.31538265e-06 1.45259764e-09-8.45413132e-14 2 2.70736710e+03-9.24169986e+01-4.80044987e+00 9.43333180e-02-7.71092939e-05 3 3.44188200e-08-6.58572996e-12 1.16244220e+04 4.99767153e+01 4 C6H5C3H4 14/ 6 THERMC 9H 9 0 0G 300.0000 5000.0000 1393.00 1 2.27552458e+01 2.43969901e-02-8.51385950e-06 1.33981649e-09-7.84733524e-14 2 2.07171053e+04-9.74298016e+01-5.47251153e+00 9.77299658e-02-8.55426166e-05 3 4.03303829e-08-8.00550199e-12 2.99054377e+04 5.18302572e+01 4 C6H5C3H3 8/ 6 THERMC 9H 8 0 0G 300.0000 5000.0000 1382.00 1 2.63873378e+01 1.98410659e-02-7.09387681e-06 1.13452913e-09-6.72002176e-14 2 -3.75490242e+03-1.05710600e+02-3.24684989e+00 9.43650938e-02-8.25051609e-05 3 3.81185110e-08-7.45463912e-12 6.10245535e+03 5.18024882e+01 4 C6H5C2H4HCO 25/99 THERMC 9H 10O 1 0G 300.0000 5000.0000 1389.00 1 2.45201777e+01 2.65966062e-02-9.06999913e-06 1.40649173e-09-8.15706632e-14 2 -2.06312921e+04-1.03245112e+02-3.93413369e+00 9.74803327e-02-7.93224114e-05 3 3.48130027e-08-6.52584657e-12-1.11556115e+04 4.81277995e+01 4 C6H5C2H4CO 30/99 C 9H 9O 1 0G 300.0000 5000.0000 1388.00 1 2.41401504e+01 2.44085832e-02-8.32461450e-06 1.29120181e-09-7.49030128e-14 2 -1.68499276e+03-9.95450501e+01-3.13422605e+00 9.24779873e-02-7.57749409e-05 3 3.32834129e-08-6.22013920e-12 7.37047192e+03 4.54805660e+01 4 C6H5CH2COCH2 5/99 THERMC 9H 9O 1 0G 300.0000 5000.0000 1390.00 1 2.32712538e+01 2.57435858e-02-8.90507867e-06 1.39337697e-09-8.12922746e-14 2 8.62378538e+02-9.36159764e+01-3.51088364e+00 9.28980191e-02-7.67582055e-05 3 3.46418071e-08-6.71296791e-12 9.81057398e+03 4.88376073e+01 4 C6H5COC2H4 5/99 THERMC 9H 9O 1 0G 300.0000 5000.0000 1391.00 1 2.37012877e+01 2.55632683e-02-8.88177489e-06 1.39363094e-09-8.14595243e-14 2 3.05203105e+04-9.68984107e+01-3.26761686e+00 9.45668581e-02-8.05402181e-05 3 3.75176018e-08-7.45085664e-12 3.94302624e+04 4.61268943e+01 4 C6H5C2H2HCO 13/99 THERMC 9H 8O 1 0G 300.0000 5000.0000 1395.00 1 2.43396805e+01 2.29488876e-02-7.99206120e-06 1.25607828e-09-7.35059093e-14 2 -1.03649626e+04-1.04658714e+02-4.96939604e+00 1.01433906e-01-9.25672521e-05 3 4.47036644e-08-8.92994769e-12-1.09011410e+03 4.94332331e+01 4 C6H5C2H2CO 6/ 6 THERMC 9H 7O 10 0G 300.0000 5000.0000 1000.00 1 -3.25993510e+00 6.72052130e-02-2.99972870e-05 5.79792610e-09-4.09110160e-13 2 1.97886607e+04 4.97548868e+01-1.13754146e+00 5.31064458e-02 2.93108692e-05 3 -7.90116593e-08 3.70686926e-11 1.86531010e+04 3.84390112e+01 4 C6H5COC2H3 C 9H 8O 1 0G 300.0000 5000.0000 1000.00 1 3.83667760e+01-4.95490570e-03 5.86686380e-06-1.52297800e-09 1.26267920e-13 2 -1.36313724e+04-1.77789705e+02-6.36840405e+00 1.18846269e-01-1.83720830e-04 3 1.85189606e-07-7.60646165e-11 9.59149246e+02 5.90328362e+01 4 BC6H5C3H5OHA C 9H 11O 1 0G 300.0000 5000.0000 1000.00 1 2.17480490e+01 2.94321870e-02-8.74782750e-06 1.26976090e-09-7.33894350e-14 2 -3.50232406e+03-8.24143261e+01-6.04738679e+00 1.16449309e-01-1.23555157e-04 3 8.10147968e-08-2.42327822e-11 3.94928010e+03 5.94344545e+01 4 AC6H5C3H5OHB C 9H 11O 1 0G 300.0000 5000.0000 1000.00 1 4.26098710e+01 1.48712080e-03-4.09507880e-08-1.60705690e-12 2.12571690e-16 2 -1.39243083e+04-2.02374612e+02-1.29771328e+01 1.78215657e-01-3.03774109e-04 3 2.99627115e-07-1.17036884e-10 3.04305217e+03 8.61278829e+01 4 CC6H5C3H5OHB C 9H 11O 1 0G 300.0000 5000.0000 1000.00 1 4.17666890e+01 2.05666360e-03-3.44630350e-08-1.36387660e-11 1.33513310e-15 2 -2.14469475e+04-1.98104307e+02-1.21628506e+01 1.72585516e-01-2.95642418e-04 3 2.95333873e-07-1.16337534e-10-4.81495305e+03 8.23384267e+01 4 BC6H5C3H5OHC C 9H 11O 1 0G 300.0000 5000.0000 1392.00 1 2.56278980e+01 2.71742952e-02-9.14982234e-06 1.40759294e-09-8.12078708e-14 2 -7.95732348e+03-1.05488242e+02-5.74027818e+00 1.04550404e-01-8.34402670e-05 3 3.48678369e-08-6.11106833e-12 2.43131861e+03 6.14141547e+01 4 PBZOHAQJB 3/13/07 THEC 9H 11O 3 0G 300.0000 5000.0000 1000.00 1 3.19565431e+01 2.62882126e-02-9.34949766e-06 1.49004559e-09-8.80437571e-14 2 -2.60517871e+04-1.36406885e+02-1.77403530e+01 2.28349709e-01-4.10981456e-04 3 3.97357058e-07-1.46687698e-10-1.31551420e+04 1.10335837e+02 4 PBZOHBQJA 3/13/07 THEC 9H 11O 3 0G 300.0000 5000.0000 1000.00 1 3.19565431e+01 2.62882126e-02-9.34949766e-06 1.49004559e-09-8.80437571e-14 2 -2.60517871e+04-1.36406885e+02-1.77403530e+01 2.28349709e-01-4.10981456e-04 3 3.97357058e-07-1.46687698e-10-1.31551420e+04 1.10335837e+02 4 PBZOHBQJC 3/13/07 THEC 9H 11O 3 0G 300.0000 5000.0000 1395.00 1 3.27032733e+01 2.57270580e-02-9.17338705e-06 1.46447770e-09-8.66360485e-14 2 -2.83714021e+04-1.41137943e+02-5.00264263e+00 1.20897682e-01-1.05394807e-04 3 4.82589501e-08-9.28676137e-12-1.58851205e+04 5.91048652e+01 4 PBZOHCQJB 3/13/07 THEC 9H 11O 3 0G 300.0000 5000.0000 1395.00 1 3.27032733e+01 2.57270580e-02-9.17338705e-06 1.46447770e-09-8.66360485e-14 2 -2.83714021e+04-1.41137943e+02-5.00264263e+00 1.20897682e-01-1.05394807e-04 3 4.82589501e-08-9.28676137e-12-1.58851205e+04 5.91048652e+01 4 COC6H5C3H4-1 C 9H 9O 1 0G 300.0000 5000.0000 1394.00 1 2.51730730e+01 2.36753732e-02-8.01815748e-06 1.23843432e-09-7.16504593e-14 2 1.04517562e+04-1.06598384e+02-6.86967663e+00 1.07406619e-01-9.42577927e-05 3 4.30177803e-08-8.08758498e-12 2.06329446e+04 6.23020115e+01 4 AOC6H5C3H4-2 C 9H 9O 1 0G 300.0000 5000.0000 1000.00 1 -3.95608520e+00 6.88598980e-02-2.88535450e-05 5.33358510e-09-3.64491610e-13 2 2.25349956e+04 5.61449774e+01 3.06380722e-02 4.86221179e-02 7.48707924e-05 3 -1.57348643e-07 7.48444554e-11 1.97211507e+04 3.24064525e+01 4 CH3C6H4C2H3 C 9H 10 0 0G 300.0000 5000.0000 1387.00 1 2.13664963e+01 2.79354157e-02-9.69178877e-06 1.51917696e-09-8.87326037e-14 2 2.92568411e+03-8.99929151e+01-3.24564402e+00 8.67026511e-02-6.66254137e-05 3 2.88674010e-08-5.58559098e-12 1.15135243e+04 4.20885223e+01 4 CH3C6H4C2H5 C 9H 12 0 0G 300.0000 5000.0000 1392.00 1 2.29271900e+01 3.04089660e-02-1.03593788e-05 1.60461730e-09-9.29658996e-14 2 -1.21264776e+04-9.84355392e+01-4.78335119e+00 9.61347810e-02-7.14676751e-05 3 2.87383431e-08-5.03585944e-12-2.59171458e+03 5.01047549e+01 4 BIPHENYL BURCAT C 12H 10 0 0G 300.0000 5000.0000 1000.00 1 2.42890170e-01 3.40066480e-02-1.17224080e-05 1.77292980e-09-9.68125320e-14 2 1.48699623e+04 3.42700873e+01 2.18734149e+02-1.66060390e+00 4.73303424e-03 3 -5.27787376e-06 2.01091252e-09-2.01917660e+04-8.95651941e+02 4 A2R5 C 12H 80 00 0G 300.0000 5000.0000 1000.00 1 1.16241070e+01 5.59622320e-02-2.94062870e-05 7.38432070e-09-7.21579440e-13 2 2.40218482e+04-4.09027413e+01-9.11392579e+00 1.23501012e-01-1.13020833e-04 3 5.49492025e-08-1.14726629e-11 2.91210023e+04 6.34518170e+01 4 PHNTHRN C 14H 10 0 0G 300.0000 5000.0000 1388.00 1 3.15659624e+01 3.37289576e-02-1.18905510e-05 1.88392365e-09-1.10863384e-13 2 8.89133167e+03-1.53045401e+02-9.76713682e+00 1.38507398e-01-1.19413834e-04 3 5.54850213e-08-1.09641315e-11 2.26185584e+04 6.64603124e+01 4 C6H4C2H C 8H 5 00 0G 300.0000 3000.0000 1000.00 1 9.43202080e+00 3.25329290e-02-1.68709990e-05 4.20594250e-09-4.09400480e-13 2 6.23631610e+04-2.48556654e+01-5.13619869e+00 8.59850067e-02-9.44133630e-05 3 5.72073152e-08-1.47522675e-11 6.56710265e+04 4.70157264e+01 4 A1C2HAC C 10H 7 0 0G 300.0000 5000.0000 1000.00 1 1.21998720e+01 4.24216550e-02-2.18133560e-05 5.39916760e-09-5.22371160e-13 2 6.75425494e+04-3.55227157e+01-3.59004792e+00 9.94224257e-02-1.03438169e-04 3 6.08061612e-08-1.55154025e-11 7.11872129e+04 4.26410828e+01 4 NAPHOH C 10H 8O 10 0G 300.0000 5000.0000 1000.00 1 2.85889590e+01 1.08775460e-02 2.32494290e-06 9.02891860e-11 2.85658840e-13 2 -1.57408282e+04-1.27026772e+02-2.54871712e-03 6.94126832e-02-8.76363926e-06 3 -3.89719273e-08 2.04928279e-11-6.99657478e+03 2.54544663e+01 4 A1C2H3AC 10/24/12 THERMC 10H 9 0 0G 300.0000 5000.0000 1396.00 1 2.50239956e+01 2.39105397e-02-8.10968529e-06 1.25277342e-09-7.24561609e-14 2 4.35837068e+04-1.05890005e+02-3.26643956e+00 9.93374382e-02-8.82608156e-05 3 4.15658041e-08-8.09777017e-12 5.24993009e+04 4.28373201e+01 4 C6H5C4H9 3/99 C 10H 14 0 0G 300.0000 5000.0000 1395.00 1 2.67352334e+01 3.43477266e-02-1.17087252e-05 1.81434544e-09-1.05143951e-13 2 -1.51070515e+04-1.18153080e+02-6.69954324e+00 1.17058986e-01-9.28323821e-05 3 3.98773470e-08-7.34266310e-12-3.92497725e+03 5.98974245e+01 4 AC6H5C4H8 3/99 C 10H 13 0 0G 300.0000 5000.0000 1395.00 1 2.63195668e+01 3.22014066e-02-1.09791469e-05 1.70158839e-09-9.86239739e-14 2 9.95631414e+03-1.13064900e+02-5.90592851e+00 1.12334217e-01-8.99626238e-05 3 3.88893542e-08-7.17801931e-12 2.06852134e+04 5.83864332e+01 4 BC6H5C4H8 3/99 C 10H 130 00 0G 300.0000 5000.0000 1388.00 1 2.62094455e+01 3.18543753e-02-1.07757053e-05 1.66215541e-09-9.60490097e-14 2 8.54773921e+03-1.12074964e+02-5.24779790e+00 1.05999656e-01-7.84426531e-05 3 3.07621837e-08-5.19032823e-12 1.93501874e+04 5.65943974e+01 4 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1.23277703e-01-1.04312596e-04 3 4.75297046e-08-9.14591106e-12 1.70676834e+03 6.06457749e+01 4 C6H5C4H8OJC 3/99 C 10H 13O 1 0G 300.0000 5000.0000 1397.00 1 2.89950874e+01 3.27117416e-02-1.12953327e-05 1.76509703e-09-1.02881048e-13 2 -9.83690171e+03-1.26388403e+02-6.32186537e+00 1.23277703e-01-1.04312596e-04 3 4.75297046e-08-9.14591106e-12 1.70676834e+03 6.06457749e+01 4 C6H5C4H8OJD 3/99 C 10H 13O 1 0G 300.0000 5000.0000 1394.00 1 2.94596622e+01 3.21058244e-02-1.10459202e-05 1.72245524e-09-1.00263509e-13 2 -9.56597056e+03-1.29284568e+02-7.29728430e+00 1.25464116e-01-1.05333849e-04 3 4.71475819e-08-8.89532700e-12 2.47875505e+03 6.55896075e+01 4 C6H5C4H8QJB 3/99 C 10H 13O 2 0G 300.0000 5000.0000 1392.00 1 3.06747172e+01 3.38518540e-02-1.17861965e-05 1.85183804e-09-1.08339822e-13 2 -1.06513604e+04-1.31457694e+02-4.61313657e+00 1.24299391e-01-1.06170509e-04 3 4.97575603e-08-9.94781020e-12 1.01838257e+03 5.56776804e+01 4 BBZQA 6/3/99 C 10H 14O 2 0G 300.0000 5000.0000 1392.00 1 3.20065100e+01 3.52390466e-02-1.22591795e-05 1.92517610e-09-1.12592895e-13 2 -2.78405681e+04-1.39421584e+02-5.01510506e+00 1.28754296e-01-1.07724958e-04 3 4.92062994e-08-9.62080855e-12-1.55171852e+04 5.72917535e+01 4 BBZQB 6/3/99 C 10H 14O 2 0G 300.0000 5000.0000 1394.00 1 3.26656531e+01 3.46918358e-02-1.20729164e-05 1.89633800e-09-1.10922550e-13 2 -2.97070731e+04-1.43742345e+02-6.41584854e+00 1.37372459e-01-1.21439704e-04 3 5.79959444e-08-1.16295908e-11-1.70738572e+04 6.25496113e+01 4 BBZQC 6/3/99 C 10H 14O 2 0G 300.0000 5000.0000 1394.00 1 3.26656531e+01 3.46918358e-02-1.20729164e-05 1.89633800e-09-1.10922550e-13 2 -2.97070731e+04-1.43742345e+02-6.41584854e+00 1.37372459e-01-1.21439704e-04 3 5.79959444e-08-1.16295908e-11-1.70738572e+04 6.25496113e+01 4 BBZQD 6/3/99 C 10H 14O 2 0G 300.0000 5000.0000 1392.00 1 3.27472154e+01 3.48071628e-02-1.21549070e-05 1.91364021e-09-1.12115639e-13 2 -2.93298320e+04-1.44573702e+02-6.89886770e+00 1.37649128e-01-1.20346882e-04 3 5.69314805e-08-1.13693916e-11-1.63811177e+04 6.51694306e+01 4 BBZQDRD THERMC 10H 13O 2 0G 300.0000 5000.0000 1389.00 1 3.13153832e+01 3.34453666e-02-1.16772718e-05 1.83816032e-09-1.07679974e-13 2 -7.55118550e+03-1.31485719e+02-2.83599171e+00 1.18953745e-01-9.89040796e-05 3 4.54488541e-08-9.02704245e-12 3.95636180e+03 5.03620571e+01 4 BBZQCRC C 10H 13O 2 0G 300.0000 5000.0000 1000.00 1 4.86039510e+01 3.88603260e-03-2.45483140e-07 3.96825320e-12 4.09454430e-16 2 -1.43919692e+04-2.28879501e+02-1.24868279e+01 2.01367649e-01-3.37990013e-04 3 3.27411295e-07-1.26053224e-10 3.89840669e+03 8.68889311e+01 4 BBZQBRB C 10H 13O 2 0G 300.0000 5000.0000 1000.00 1 4.86039510e+01 3.88603260e-03-2.45483140e-07 3.96825320e-12 4.09454430e-16 2 -1.43919692e+04-2.28879501e+02-1.24868279e+01 2.01367649e-01-3.37990013e-04 3 3.27411295e-07-1.26053224e-10 3.89840669e+03 8.68889311e+01 4 BBZQARA C 10H 13O 2 0G 300.0000 5000.0000 1000.00 1 5.10598870e+01 6.74874890e-03-7.22470700e-07 4.67075160e-11-1.51891970e-15 2 -3.01277687e+04-2.38018816e+02-1.14101870e+01 1.92486916e-01-2.78571976e-04 3 2.48411513e-07-9.37849117e-11-1.12447992e+04 8.73533331e+01 4 BBZOCQD 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1391.00 1 3.35272823e+01 3.17155615e-02-1.11151484e-05 1.75414800e-09-1.02943293e-13 2 -4.26136715e+04-1.44580252e+02-5.10464844e+00 1.33924031e-01-1.21086831e-04 3 5.88154954e-08-1.19450213e-11-3.01696482e+04 5.91396541e+01 4 BBZOBQD 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1389.00 1 3.32203594e+01 3.20804742e-02-1.12652374e-05 1.78018888e-09-1.04568173e-13 2 -4.26051156e+04-1.43051169e+02-4.25588693e+00 1.27901626e-01-1.10842931e-04 3 5.21016920e-08-1.04087150e-11-3.02078433e+04 5.57405112e+01 4 BBZOAQD 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1390.00 1 3.34678308e+01 3.18186095e-02-1.11628270e-05 1.76289371e-09-1.03506517e-13 2 -3.88409931e+04-1.43689204e+02-3.69800006e+00 1.27319543e-01-1.10838592e-04 3 5.22508897e-08-1.04405907e-11-2.65992555e+04 5.32775197e+01 4 BBZODQC 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1393.00 1 3.42579373e+01 3.10810453e-02-1.08939677e-05 1.71944686e-09-1.00917661e-13 2 -1.29684385e+04-1.49862166e+02-5.34174856e+00 1.35022803e-01-1.20908417e-04 3 5.75753309e-08-1.14397933e-11-2.12604469e+02 5.91030076e+01 4 BBZOBQC 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1392.00 1 3.36734804e+01 3.15898633e-02-1.10723623e-05 1.74760322e-09-1.02569998e-13 2 -4.25905292e+04-1.45766594e+02-5.45207048e+00 1.32949598e-01-1.16924567e-04 3 5.49266269e-08-1.08354801e-11-2.98561166e+04 6.11661370e+01 4 BBZOAQC 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1392.00 1 3.33806026e+01 3.16761016e-02-1.10642378e-05 1.74223753e-09-1.02086934e-13 2 -3.92051744e+04-1.42799745e+02-3.15770559e+00 1.26789668e-01-1.11525813e-04 3 5.30098794e-08-1.06172271e-11-2.73008393e+04 5.03913593e+01 4 BBZODQB 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1391.00 1 3.36726156e+01 3.15259909e-02-1.10345070e-05 1.73992324e-09-1.02047241e-13 2 -1.33404146e+04-1.46025497e+02-3.41395585e+00 1.28597030e-01-1.14324360e-04 3 5.48628158e-08-1.10700602e-11-1.29455443e+03 4.99066049e+01 4 BBZOCQB 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1391.00 1 3.35272823e+01 3.17155615e-02-1.11151484e-05 1.75414800e-09-1.02943293e-13 2 -4.26136715e+04-1.44580252e+02-5.10464844e+00 1.33924031e-01-1.21086831e-04 3 5.88154954e-08-1.19450213e-11-3.01696482e+04 5.91396541e+01 4 BBZOAQB 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1394.00 1 3.39473225e+01 3.12721509e-02-1.09433590e-05 1.72540007e-09-1.01192143e-13 2 -3.88289878e+04-1.46536933e+02-4.95277900e+00 1.32645933e-01-1.17287479e-04 3 5.52379876e-08-1.08851253e-11-2.62395036e+04 5.89689048e+01 4 BBZODQA 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1389.00 1 3.30876745e+01 3.20379866e-02-1.12147834e-05 1.76846890e-09-1.03726547e-13 2 -1.10063747e+04-1.42535441e+02-2.94381120e+00 1.24439398e-01-1.07678227e-04 3 5.07668419e-08-1.01814983e-11 8.98312211e+02 4.85185485e+01 4 BBZOCQA 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1388.00 1 3.23768675e+01 3.26306098e-02-1.14160290e-05 1.79949197e-09-1.05515262e-13 2 -4.06576067e+04-1.37362818e+02-2.83261996e+00 1.23839457e-01-1.08511761e-04 3 5.23456909e-08-1.07457255e-11-2.90382184e+04 4.91500830e+01 4 BBZOBQA 99 THERM C 10H 12O 3 0G 300.0000 5000.0000 1386.00 1 3.23611140e+01 3.26857545e-02-1.14446936e-05 1.80500228e-09-1.05879021e-13 2 -3.97154823e+04-1.37455428e+02-1.39361530e+00 1.17468137e-01-9.88609515e-05 3 4.62543214e-08-9.36647921e-12-2.83168480e+04 4.22816711e+01 4 BBZOHDRC 7/13/99 C 10H 13O 1 0G 300.0000 5000.0000 1390.00 1 2.89616045e+01 3.13860028e-02-1.05684490e-05 1.62583700e-09-9.37976226e-14 2 -1.21192415e+04-1.23105146e+02-6.05153642e+00 1.17147685e-01-9.24401849e-05 3 3.84125562e-08-6.73892457e-12-4.44094185e+02 6.34403517e+01 4 BBZOHCRD 7/13/99 C 10H 13O 1 0G 300.0000 5000.0000 1397.00 1 2.92194984e+01 3.23735228e-02-1.11452601e-05 1.73813247e-09-1.01165853e-13 2 -1.85173940e+04-1.28234827e+02-4.33914897e+00 1.18612313e-01-1.00119799e-04 3 4.57870390e-08-8.86205325e-12-7.54819623e+03 4.94562813e+01 4 BBZOHCRB 7/13/99 C 10H 13O 1 0G 300.0000 5000.0000 1395.00 1 2.83667165e+01 3.20931153e-02-1.08429774e-05 1.67082144e-09-9.64713801e-14 2 -1.23178478e+04-1.19430519e+02-5.34938475e+00 1.16036964e-01-9.29570696e-05 3 3.96681568e-08-7.15772008e-12-1.17047764e+03 5.97937390e+01 4 BBZOHBRC 7/13/99 C 10H 13O 1 0G 300.0000 5000.0000 1393.00 1 2.63327875e+01 3.24449184e-02-1.17374113e-05 1.98555802e-09-1.23755305e-13 2 1.19143606e+04-1.05008615e+02-6.26593392e+00 1.17821171e-01-1.01667095e-04 3 4.73475246e-08-9.27083615e-12 2.24129333e+04 6.70420542e+01 4 BBZOHARB 7/13/99 C 10H 13O 1 0G 300.0000 5000.0000 1389.00 1 2.83181157e+01 3.17223082e-02-1.06388494e-05 1.63214024e-09-9.39768846e-14 2 -1.01774449e+04-1.18225901e+02-4.67874335e+00 1.10598521e-01-8.34415013e-05 3 3.30631356e-08-5.55625930e-12 9.98790658e+02 5.82278445e+01 4 BBZOHBRA 7/13/99 C 10H 13O 1 0G 300.0000 5000.0000 1399.00 1 2.84776089e+01 3.24462572e-02-1.10511628e-05 1.71135092e-09-9.91269570e-14 2 -1.09118976e+04-1.19738922e+02-5.94889626e+00 1.22160738e-01-1.04260873e-04 3 4.77409004e-08-9.15468323e-12 1.54645672e+02 6.19950189e+01 4 BBZOHDQJC 7/99 THERM C 10H 13O 3 0G 300.0000 5000.0000 1393.00 1 3.30311013e+01 3.40408082e-02-1.18669584e-05 1.86612850e-09-1.09241991e-13 2 -3.11900762e+04-1.40116198e+02-5.32753852e+00 1.35171653e-01-1.20368531e-04 3 5.80591516e-08-1.17594854e-11-1.87896559e+04 6.23018828e+01 4 BBZOHCQJD 7/99 THERM C 10H 13O 3 0G 300.0000 5000.0000 1393.00 1 3.30311013e+01 3.40408082e-02-1.18669584e-05 1.86612850e-09-1.09241991e-13 2 -3.11900762e+04-1.40116198e+02-5.32753852e+00 1.35171653e-01-1.20368531e-04 3 5.80591516e-08-1.17594854e-11-1.87896559e+04 6.23018828e+01 4 BBZOHCQJB 7/99 THERM C 10H 13O 3 0G 300.0000 5000.0000 1395.00 1 3.29364059e+01 3.39225620e-02-1.17808500e-05 1.84785988e-09-1.07979547e-13 2 -3.15587497e+04-1.39200083e+02-4.75763317e+00 1.34463425e-01-1.20773533e-04 3 5.86561040e-08-1.19050323e-11-1.94943283e+04 5.92890152e+01 4 BBZOHBQJC 7/99 THERM C 10H 13O 3 0G 300.0000 5000.0000 1395.00 1 3.29364059e+01 3.39225620e-02-1.17808500e-05 1.84785988e-09-1.07979547e-13 2 -3.15587497e+04-1.39200083e+02-4.75763317e+00 1.34463425e-01-1.20773533e-04 3 5.86561040e-08-1.19050323e-11-1.94943283e+04 5.92890152e+01 4 BBZOHAQJB 7/99 THERM C 10H 13O 3 0G 300.0000 5000.0000 1393.00 1 3.23285489e+01 3.44987580e-02-1.19929976e-05 1.88237898e-09-1.10046608e-13 2 -2.92214216e+04-1.35594877e+02-4.24636498e+00 1.30184497e-01-1.14032500e-04 3 5.45762211e-08-1.10377972e-11-1.73091894e+04 5.76985072e+01 4 BBZOHBQJA 7/99 THERM C 10H 13O 3 0G 300.0000 5000.0000 1393.00 1 3.23285489e+01 3.44987580e-02-1.19929976e-05 1.88237898e-09-1.10046608e-13 2 -2.92214216e+04-1.35594877e+02-4.24636498e+00 1.30184497e-01-1.14032500e-04 3 5.45762211e-08-1.10377972e-11-1.73091894e+04 5.76985072e+01 4 BBZE3OJB 7/12/99 THERMC 10H 11O 1 0G 300.0000 5000.0000 1394.00 1 2.90523370e+01 2.74093716e-02-9.35266850e-06 1.45119408e-09-8.42075299e-14 2 3.92224962e+03-1.27892190e+02-6.83847903e+00 1.22136763e-01-1.08708470e-04 3 5.07547060e-08-9.78829597e-12 1.53010780e+04 6.10829114e+01 4 BBZE1OJC 7/12/99 THERMC 10H 11O 1 0G 300.0000 5000.0000 1399.00 1 2.99116577e+01 2.62545201e-02-8.87069640e-06 1.36803699e-09-7.90685061e-14 2 5.86111038e+03-1.31733231e+02-1.06959208e+01 1.37182583e-01-1.28175572e-04 3 6.12164827e-08-1.18133184e-11 1.82698866e+04 8.05849915e+01 4 BBZE1OJD 7/99 THERMC 10H 11O 1 0G 300.0000 5000.0000 1395.00 1 2.83699212e+01 2.83475701e-02-9.74832523e-06 1.51990438e-09-8.84729649e-14 2 6.36780291e+03-1.23004292e+02-7.60044911e+00 1.21979273e-01-1.06572218e-04 3 4.89932919e-08-9.35708990e-12 1.79051674e+04 6.68555396e+01 4 BBZOA 6/25/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1390.00 1 2.75646354e+01 3.12882751e-02-1.06982498e-05 1.66145757e-09-9.64426774e-14 2 -2.46783862e+04-1.18137461e+02-4.24387333e+00 1.10297893e-01-8.90257235e-05 3 3.90595224e-08-7.36009808e-12-1.40363372e+04 5.12073226e+01 4 BBZOB 6/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1390.00 1 2.70030868e+01 3.21461069e-02-1.10730626e-05 1.72776964e-09-1.00607093e-13 2 -2.83490409e+04-1.15802294e+02-4.67221649e+00 1.10535295e-01-8.90592849e-05 3 3.93997779e-08-7.54262985e-12-1.76688243e+04 5.30324320e+01 4 BBZOC 6/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1385.00 1 2.76947641e+01 3.08382158e-02-1.04827276e-05 1.62264953e-09-9.40073387e-14 2 -2.86742768e+04-1.19256288e+02-4.36848088e+00 1.11104814e-01-9.13464881e-05 3 4.11353515e-08-7.96612583e-12-1.79639921e+04 5.13098276e+01 4 BBZOD 6/25/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1392.00 1 2.73120493e+01 3.21551542e-02-1.11325655e-05 1.74264104e-09-1.01689924e-13 2 1.35221513e+03-1.18410079e+02-4.35675489e+00 1.11925108e-01-9.25787819e-05 3 4.22237128e-08-8.28970966e-12 1.19395298e+04 4.99823862e+01 4 C6H5C3H6CO 13/ 7 THERMC 10H 11O 1 0G 300.0000 5000.0000 1390.00 1 2.71613488e+01 2.91354761e-02-9.96754951e-06 1.54865806e-09-8.99261089e-14 2 -5.72230485e+03-1.13611050e+02-3.44386154e+00 1.05293874e-01-8.54714022e-05 3 3.75188788e-08-7.04845954e-12 4.48974710e+03 4.92542870e+01 4 C6H5C4H7O-AB 3/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1398.00 1 2.77634636e+01 3.19566159e-02-1.10123814e-05 1.71860622e-09-1.00080496e-13 2 -1.32795051e+04-1.21912918e+02-1.16554017e+01 1.40676406e-01-1.31562956e-04 3 6.50046464e-08-1.31588689e-11-1.10814883e+03 8.42341971e+01 4 C6H5C4H7O-AC 3/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1397.00 1 2.68727413e+01 3.30451034e-02-1.13692767e-05 1.77253264e-09-1.03153111e-13 2 -1.37255793e+04-1.19232654e+02-1.26135812e+01 1.39425387e-01-1.26375584e-04 3 6.08248880e-08-1.20964494e-11-1.31828701e+03 8.80941752e+01 4 C6H5C4H7O-AD 3/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1393.00 1 2.67735806e+01 3.32922438e-02-1.14121606e-05 1.77600856e-09-1.03261952e-13 2 -2.39872244e+04-1.23283837e+02-1.55282138e+01 1.43854953e-01-1.26536764e-04 3 5.87311958e-08-1.13296244e-11-1.04396781e+04 9.98810914e+01 4 C6H5C4H7O-BC 6/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1399.00 1 2.81822143e+01 3.17762095e-02-1.09869659e-05 1.71831813e-09-1.00207714e-13 2 -1.55732595e+04-1.24519348e+02-1.19069929e+01 1.44044046e-01-1.37474604e-04 3 6.90243159e-08-1.41197986e-11-3.33735850e+03 8.45807668e+01 4 C6H5C4H7O-BD 3/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1397.00 1 2.72571916e+01 3.32325698e-02-1.15453770e-05 1.81144652e-09-1.05875648e-13 2 -1.56166963e+04-1.22070168e+02-1.33688660e+01 1.43309000e-01-1.31849340e-04 3 6.44385894e-08-1.30000182e-11-2.85464247e+03 9.11256918e+01 4 C6H5C4H7O-CD 3/99 THERMC 10H 12O 1 0G 300.0000 5000.0000 1398.00 1 2.82572068e+01 3.19374957e-02-1.10935110e-05 1.74034091e-09-1.01711015e-13 2 -1.52027138e+04-1.25337234e+02-1.24970664e+01 1.44821028e-01-1.37165495e-04 3 6.84890957e-08-1.39866032e-11-2.62899906e+03 8.76917822e+01 4 NC5H11COCH2 4/9/09 THERGC 7H 13O 1 0G 300.0000 5000.0000 1000.00 1 1.15659120e+01 4.48051210e-02-1.55414490e-05 2.51661600e-09-1.56785000e-13 2 -1.87748934e+04-2.52390986e+01 4.47778505e-01 7.68289946e-02-3.63833971e-05 3 -7.39857450e-09 9.69461354e-12-1.62128627e+04 3.08015611e+01 4 C5H11CHCO 4/15/ 9 THERMC 7H 12O 1 0G 300.0000 5000.0000 1400.00 1 2.30941738e+01 2.70649916e-02-9.23923196e-06 1.43247405e-09-8.30279612e-14 2 -3.06971342e+04-9.11384282e+01-8.62518102e-01 8.80201354e-02-7.15922368e-05 3 3.21317971e-08-6.17620854e-12-2.27911038e+04 3.59502849e+01 4 NC8H17COCH2 THERGAS C 10H 19O 1 0G 300.0000 5000.0000 1000.00 1 1.63069880e+01 6.47633520e-02-2.27200400e-05 3.71040510e-09-2.32623250e-13 2 -2.87786643e+04-4.45048395e+01 3.76621128e-01 1.07876406e-01-4.49349844e-05 3 -1.74774020e-08 1.59874407e-11-2.49469042e+04 3.65402405e+01 4 NC8H17COC2H4P THERGAS C 11H 21O 1 0G 300.0000 5000.0000 1000.00 1 6.32866050e+00 8.93302930e-02-3.35538750e-05 5.74303270e-09-3.71682670e-13 2 -2.60824549e+04 1.61243012e+01 3.61753469e+00 9.39155680e-02 2.39239822e-05 3 -1.12124003e-07 5.81433471e-11-2.70594992e+04 2.61881458e+01 4 NC7H15COC2H4P THERGAS C 10H 19O 1 0G 300.0000 5000.0000 1000.00 1 4.38056850e+00 8.33178160e-02-3.15081710e-05 5.42133180e-09-3.52301580e-13 2 -2.26035980e+04 2.45942088e+01 4.12134449e+00 8.01262292e-02 3.53562889e-05 3 -1.17695932e-07 5.93513127e-11-2.41981409e+04 2.22574059e+01 4 NC6H13CO THERGAS C 7H 13O 1 0G 300.0000 5000.0000 1000.00 1 9.66498660e+00 4.63931190e-02-1.60638210e-05 2.59501200e-09-1.61244950e-13 2 -1.97928889e+04-1.24186256e+01 2.53436117e+00 6.42796369e-02-1.18040774e-05 3 -3.10615270e-08 1.84796581e-11-1.83394828e+04 2.33802208e+01 4 C6H3A1CH3 9/24/12 THERMC 11H 9 0 0G 300.0000 5000.0000 1387.00 1 2.41866524e+01 2.87085863e-02-1.00040198e-05 1.57283341e-09-9.20615442e-14 2 3.25255867e+04-1.07195645e+02-1.85841037e+00 8.63709421e-02-5.92792271e-05 3 2.17490035e-08-3.59768841e-12 4.19435780e+04 3.39554513e+01 4 C6H4A1CH3 9/24/12 THERMC 11H 9 0 0G 300.0000 5000.0000 1387.00 1 2.41866524e+01 2.87085863e-02-1.00040198e-05 1.57283341e-09-9.20615442e-14 2 3.25255867e+04-1.07195645e+02-1.85841037e+00 8.63709421e-02-5.92792271e-05 3 2.17490035e-08-3.59768841e-12 4.19435780e+04 3.39554513e+01 4 A2OHCH3 9/25/12 THERMC 11H 10O 1 0G 300.0000 5000.0000 1392.00 1 2.81549167e+01 2.99236572e-02-1.04056239e-05 1.63381420e-09-9.55470229e-14 2 -2.11474254e+04-1.27978552e+02-2.08011420e+00 9.96334429e-02-7.26257608e-05 3 2.79406335e-08-4.67527197e-12-1.05621851e+04 3.47693219e+01 4 HOA2CH3 9/25/12 THERMC 11H 10O 1 0G 300.0000 5000.0000 1392.00 1 2.81549167e+01 2.99236572e-02-1.04056239e-05 1.63381420e-09-9.55470229e-14 2 -2.11474254e+04-1.27978552e+02-2.08011420e+00 9.96334429e-02-7.26257608e-05 3 2.79406335e-08-4.67527197e-12-1.05621851e+04 3.47693219e+01 4 A2OHCH2 9/25/12 THERMC 11H 9O 1 0G 300.0000 5000.0000 1396.00 1 2.96336774e+01 2.65957841e-02-9.26989976e-06 1.45787577e-09-8.53590168e-14 2 -2.36730180e+03-1.35888676e+02-1.82525577e+00 1.02420121e-01-8.04318999e-05 3 3.29393001e-08-5.70872630e-12 8.27086769e+03 3.21973546e+01 4 HOA2CH2 9/25/12 THERMC 11H 9O 1 0G 300.0000 5000.0000 1396.00 1 2.96336774e+01 2.65957841e-02-9.26989976e-06 1.45787577e-09-8.53590168e-14 2 -2.36730180e+03-1.35888676e+02-1.82525577e+00 1.02420121e-01-8.04318999e-05 3 3.29393001e-08-5.70872630e-12 8.27086769e+03 3.21973546e+01 4 A2CH2OH 9/25/12 THERMC 11H 10O 1 0G 300.0000 5000.0000 1389.00 1 2.71524446e+01 3.07956594e-02-1.07118820e-05 1.68226057e-09-9.83961662e-14 2 -1.69009334e+04-1.21073026e+02-1.99185973e+00 9.38118747e-02-6.14378050e-05 3 2.02363791e-08-2.84952097e-12-6.31762327e+03 3.72149938e+01 4 A2CH2O 9/25/12 THERMC 11H 9O 1 0G 300.0000 5000.0000 1387.00 1 2.71081841e+01 2.88782669e-02-1.00885081e-05 1.58897864e-09-9.31293395e-14 2 9.37398188e+03-1.20953124e+02-1.90556989e+00 9.15730764e-02-6.03415562e-05 3 1.97777186e-08-2.74144470e-12 1.98972976e+04 3.66111698e+01 4 A2OCH3 9/26/12 THERMC 11H 9O 1 0G 300.0000 5000.0000 1386.00 1 2.81108750e+01 2.81427040e-02-9.86090177e-06 1.55620703e-09-9.13337710e-14 2 -2.99414931e+03-1.26763331e+02-1.39115591e+00 9.27200543e-02-6.28355883e-05 3 2.14712545e-08-3.14313596e-12 7.63331909e+03 3.31783124e+01 4 OA2CH3 9/26/12 THERMC 11H 9O 1 0G 300.0000 5000.0000 1386.00 1 2.81108750e+01 2.81427040e-02-9.86090177e-06 1.55620703e-09-9.13337710e-14 2 -3.35650463e+03-1.26763331e+02-1.39115591e+00 9.27200543e-02-6.28355883e-05 3 2.14712545e-08-3.14313596e-12 7.27096377e+03 3.31783124e+01 4 A2CHOH 9/26/12 THERMC 11H 9O 1 0G 300.0000 5000.0000 1382.00 1 2.66662207e+01 2.91323881e-02-1.01484866e-05 1.59538942e-09-9.33810180e-14 2 -3.08268189e+02-1.19327416e+02 5.56542860e-01 8.23281421e-02-4.86325533e-05 3 1.32992065e-08-1.40858449e-12 9.48787525e+03 2.36153838e+01 4 A2OHCH2OH 9/26/12 THERMC 11H 10O 2 0G 300.0000 5000.0000 1397.00 1 3.00463535e+01 3.01650108e-02-1.04289676e-05 1.63130168e-09-9.51542511e-14 2 -3.90970030e+04-1.33573344e+02-8.63406219e-01 1.01343794e-01-7.29993812e-05 3 2.71428842e-08-4.28776973e-12-2.83390211e+04 3.27046903e+01 4 HOA2CH2OH 9/26/12 THERMC 11H 10O 2 0G 300.0000 5000.0000 1397.00 1 3.00463535e+01 3.01650108e-02-1.04289676e-05 1.63130168e-09-9.51542511e-14 2 -3.90970030e+04-1.33573344e+02-8.63406219e-01 1.01343794e-01-7.29993812e-05 3 2.71428842e-08-4.28776973e-12-2.83390211e+04 3.27046903e+01 4 A2OHCH2O 9/26/12 THERMC 11H 9O 2 0G 300.0000 5000.0000 1397.00 1 2.99709752e+01 2.82640172e-02-9.80875922e-06 1.53823328e-09-8.98878514e-14 2 -1.28026100e+04-1.33259516e+02-7.94068384e-01 9.91967819e-02-7.20721643e-05 3 2.67761504e-08-4.19167832e-12-2.12181008e+03 3.21768038e+01 4 HOA2CH2O 9/26/12 THERMC 11H 9O 2 0G 300.0000 5000.0000 1397.00 1 2.99709752e+01 2.82640172e-02-9.80875922e-06 1.53823328e-09-8.98878514e-14 2 -1.28026100e+04-1.33259516e+02-7.94068384e-01 9.91967819e-02-7.20721643e-05 3 2.67761504e-08-4.19167832e-12-2.12181008e+03 3.21768038e+01 4 A2OHCHO 9/26/12 THERMC 11H 8O 2 0G 300.0000 5000.0000 1403.00 1 3.04926896e+01 2.52030328e-02-8.73862586e-06 1.36980319e-09-8.00273845e-14 2 -3.18836885e+04-1.37115830e+02-1.60332779e-01 9.73560557e-02-7.31903814e-05 3 2.76780304e-08-4.30367811e-12-2.14508070e+04 2.70832620e+01 4 HOA2CHO 9/26/12 THERMC 11H 8O 2 0G 300.0000 5000.0000 1403.00 1 3.04926896e+01 2.52030328e-02-8.73862586e-06 1.36980319e-09-8.00273845e-14 2 -3.18836885e+04-1.37115830e+02-1.60332779e-01 9.73560557e-02-7.31903814e-05 3 2.76780304e-08-4.30367811e-12-2.14508070e+04 2.70832620e+01 4 A2OHCO 9/26/12 THERMC 11H 7O 2 0G 300.0000 5000.0000 1676.00 1 2.77831655e+01 2.76191491e-02-1.01821314e-05 1.66825028e-09-1.00635344e-13 2 -1.18286090e+04-1.20637999e+02 1.45368279e-01 8.98248173e-02-5.84580656e-05 3 1.63231482e-08-1.36875870e-12-2.67032260e+03 2.75996719e+01 4 HOA2CO 9/26/12 THERMC 11H 7O 2 0G 300.0000 5000.0000 1676.00 1 2.77831655e+01 2.76191491e-02-1.01821314e-05 1.66825028e-09-1.00635344e-13 2 -1.18286090e+04-1.20637999e+02 1.45368279e-01 8.98248173e-02-5.84580656e-05 3 1.63231482e-08-1.36875870e-12-2.67032260e+03 2.75996719e+01 4 A2CH2OOH 9/26/12 THERMC 11H 10O 2 0G 300.0000 5000.0000 1381.00 1 3.21915193e+01 2.92901385e-02-1.03418120e-05 1.64045606e-09-9.66209439e-14 2 -1.08578167e+04-1.46997705e+02-1.39336846e+00 1.01690587e-01-6.78747769e-05 3 2.20801115e-08-2.98595040e-12 1.30971483e+03 3.53999718e+01 4 A2OHCH2OOH 9/26/12 THERMC 11H 10O 3 0G 300.0000 5000.0000 1383.00 1 3.54007686e+01 2.87277995e-02-1.01581988e-05 1.61299595e-09-9.50744580e-14 2 -3.34137353e+04-1.61833935e+02-1.68743968e-01 1.06154312e-01-7.19987689e-05 3 2.33875084e-08-3.05501403e-12-2.06592897e+04 3.09726467e+01 4 HOA2CH2OOH 9/26/12 THERMC 11H 10O 3 0G 300.0000 5000.0000 1383.00 1 3.54007686e+01 2.87277995e-02-1.01581988e-05 1.61299595e-09-9.50744580e-14 2 -3.34137353e+04-1.61833935e+02-1.68743968e-01 1.06154312e-01-7.19987689e-05 3 2.33875084e-08-3.05501403e-12-2.06592897e+04 3.09726467e+01 4 A2CH2OO 9/27/12 THERMC 11H 9O 2 0G 300.0000 5000.0000 1373.00 1 3.05437842e+01 2.87224980e-02-1.01808510e-05 1.61897989e-09-9.55186360e-14 2 7.00780853e+03-1.38420122e+02-4.96148265e-01 9.31195093e-02-5.87887763e-05 3 1.79127445e-08-2.32355947e-12 1.85627047e+04 3.11565773e+01 4 A2OHCH2OO 9/27/12 THERMC 11H 9O 3 0G 300.0000 5000.0000 1379.00 1 3.34604732e+01 2.82993450e-02-1.00195273e-05 1.59219759e-09-9.38944087e-14 2 -1.53384306e+04-1.51372052e+02 4.79079729e-01 9.96534435e-02-6.73612471e-05 3 2.24971603e-08-3.18908359e-12-3.39074751e+03 2.77033475e+01 4 HOA2CH2OO 9/27/12 THERMC 11H 9O 3 0G 300.0000 5000.0000 1379.00 1 3.34604732e+01 2.82993450e-02-1.00195273e-05 1.59219759e-09-9.38944087e-14 2 -1.53384306e+04-1.51372052e+02 4.79079729e-01 9.96534435e-02-6.73612471e-05 3 2.24971603e-08-3.18908359e-12-3.39074751e+03 2.77033475e+01 4 A2OOH 9/27/12 THERMC 10H 8O 2 0G 300.0000 5000.0000 1404.00 1 2.79136481e+01 2.47134184e-02-8.53830369e-06 1.33508506e-09-7.78607443e-14 2 -6.26587165e+03-1.24092255e+02-2.30536401e+00 9.93475168e-02-8.00539473e-05 3 3.32989509e-08-5.75439559e-12 3.72016097e+03 3.66341982e+01 4 A2OO 9/27/12 THERMC 10H 7O 2 0G 300.0000 5000.0000 1403.00 1 2.67533756e+01 2.36836525e-02-8.20784329e-06 1.28614687e-09-7.51202909e-14 2 1.13825041e+04-1.18377406e+02-1.26364022e+00 8.91698895e-02-6.61674333e-05 3 2.46823766e-08-3.78768900e-12 2.09671970e+04 3.18696964e+01 4 C6H3A1OH 9/27/12 THERMC 10H 7O 1 0G 300.0000 5000.0000 1398.00 1 2.49959988e+01 2.27778192e-02-7.92537205e-06 1.24493284e-09-7.28292143e-14 2 1.55372042e+04-1.10185875e+02-2.16156777e+00 9.01627817e-02-7.37379984e-05 3 3.17203457e-08-5.75098014e-12 2.45562549e+04 3.42855945e+01 4 C6H4A1OH 9/27/12 THERMC 10H 7O 1 0G 300.0000 5000.0000 1398.00 1 2.49959988e+01 2.27778192e-02-7.92537205e-06 1.24493284e-09-7.28292143e-14 2 1.55372042e+04-1.10185875e+02-2.16156777e+00 9.01627817e-02-7.37379984e-05 3 3.17203457e-08-5.75098014e-12 2.45562549e+04 3.42855945e+01 4 HOA2OH 9/27/12 THERMC 10H 8O 2 0G 300.0000 5000.0000 1404.00 1 2.94137552e+01 2.36305700e-02-8.20796609e-06 1.28809068e-09-7.53115390e-14 2 -3.83498773e+04-1.33632336e+02-2.26986767e+00 1.02623344e-01-8.46401610e-05 3 3.57389138e-08-6.22698855e-12-2.79652741e+04 3.46017552e+01 4 OA2OH-1 9/27/12 THERMC 10H 7O 2 0G 300.0000 5000.0000 1397.00 1 2.84386779e+01 2.26230755e-02-7.92409256e-06 1.25041124e-09-7.33859317e-14 2 -1.98117964e+04-1.27013393e+02-1.32034456e+00 9.42105544e-02-7.43640226e-05 3 2.99852119e-08-5.04254358e-12-9.78634304e+03 3.19460122e+01 4 OA2OH-2 9/27/12 THERMC 10H 7O 2 0G 300.0000 5000.0000 1397.00 1 2.84386779e+01 2.26230755e-02-7.92409256e-06 1.25041124e-09-7.33859317e-14 2 -1.98117964e+04-1.27013393e+02-1.32034456e+00 9.42105544e-02-7.43640226e-05 3 2.99852119e-08-5.04254358e-12-9.78634304e+03 3.19460122e+01 4 HOC6H4C2H3 THERMC 8H 8O 1 0G 300.0000 5000.0000 1402.00 1 2.22088861e+01 2.15221137e-02-7.34732595e-06 1.13952632e-09-6.60747160e-14 2 -1.40752329e+04-9.28164913e+01-4.07517261e+00 9.34032742e-02-8.56414492e-05 3 4.12714256e-08-8.13954281e-12-5.96652954e+03 4.47322744e+01 4 HOC6H4CHCH THERMC 8H 7O 1 0G 300.0000 5000.0000 1402.00 1 2.21138716e+01 1.90783325e-02-6.50941269e-06 1.00924911e-09-5.85094936e-14 2 1.60343724e+04-9.04038971e+01-3.17271493e+00 9.01073819e-02-8.58789248e-05 3 4.25279327e-08-8.52298391e-12 2.36540234e+04 4.12728669e+01 4 HOC6H3C2H3 THERMC 8H 7O 1 0G 300.0000 5000.0000 1404.00 1 2.10543959e+01 1.98087060e-02-6.72135239e-06 1.03796669e-09-5.99987824e-14 2 1.74363560e+04-8.40767281e+01-2.64257940e+00 8.74495226e-02-8.37208015e-05 3 4.20303051e-08-8.53675261e-12 2.45019121e+04 3.89986182e+01 4 HOC6H4C2H 10/11/12 THERMC 8H 6O 1 0G 300.0000 5000.0000 1398.00 1 2.23081919e+01 1.65581778e-02-5.68873126e-06 8.86676395e-10-5.16105781e-14 2 5.60368672e+03-9.32230641e+01-2.41785601e+00 8.21051123e-02-7.40985330e-05 3 3.43392892e-08-6.49435142e-12 1.33585552e+04 3.67635684e+01 4 OC6H4C2H 10/11/12 THERMC 8H 5O 1 0G 300.0000 5000.0000 1392.00 1 2.13781340e+01 1.55605429e-02-5.41745644e-06 8.51814059e-10-4.98802075e-14 2 2.41086214e+04-8.69052988e+01-1.43541805e+00 7.32870767e-02-6.27372364e-05 3 2.76649509e-08-5.05620621e-12 3.15377905e+04 3.40004922e+01 4 CH2C6H4C2H THERMC 9H 7 0 0G 300.0000 5000.0000 1391.00 1 2.27725773e+01 1.93024653e-02-6.67193118e-06 1.04394571e-09-6.09214155e-14 2 4.14715772e+04-9.69228254e+01-1.97313464e+00 8.16452849e-02-6.87298914e-05 3 3.03874942e-08-5.63664068e-12 4.95979245e+04 3.43929499e+01 4 CHOC6H4C2H THERMC 9H 6O 1 0G 300.0000 5000.0000 1396.00 1 2.44121568e+01 1.71697548e-02-5.87623999e-06 9.14233014e-10-5.31680667e-14 2 1.16191139e+04-1.02686488e+02-3.94533679e-01 7.68994898e-02-6.03968570e-05 3 2.35493614e-08-3.71449711e-12 1.98810553e+04 2.96401407e+01 4 COC6H4C2H 10/11/12 THERMC 9H 5O 1 0G 300.0000 5000.0000 1393.00 1 2.39372452e+01 1.57222049e-02-5.43433660e-06 8.51022056e-10-4.97143878e-14 2 3.05496814e+04-9.88206019e+01-7.07759258e-01 7.63847488e-02-6.28072770e-05 3 2.59078617e-08-4.36763014e-12 3.86604791e+04 3.22396077e+01 4 CH2OHC6H4C2H THERMC 9H 8O 1 0G 300.0000 5000.0000 1385.00 1 2.42521522e+01 2.18081305e-02-7.44106795e-06 1.15499518e-09-6.70505209e-14 2 4.26867488e+03-1.00820329e+02-1.23696395e+00 8.14701068e-02-6.08548250e-05 3 2.33551823e-08-3.78031444e-12 1.30135846e+04 3.59077867e+01 4 CH2OC6H4C2H THERMC 9H 7O 1 0G 300.0000 5000.0000 1384.00 1 2.41615096e+01 1.99796785e-02-6.85776810e-06 1.06882668e-09-6.22289269e-14 2 3.05631575e+04-1.00441849e+02-1.19265852e+00 7.94528038e-02-6.00929765e-05 3 2.31072466e-08-3.71736562e-12 3.92337376e+04 3.54902242e+01 4 CHOHC6H4C2H THERMC 9H 7O 1 0G 300.0000 5000.0000 1387.00 1 2.34642612e+01 2.04240006e-02-6.88681149e-06 1.06059690e-09-6.12383317e-14 2 2.10591481e+04-9.72186066e+01 1.35755732e+00 6.96627066e-02-4.69637143e-05 3 1.52053424e-08-1.90691589e-12 2.88122927e+04 2.21034224e+01 4 CH3C6H4C2H THERMC 9H 8 0 0G 300.0000 5000.0000 1386.00 1 2.20040526e+01 2.20595364e-02-7.61910645e-06 1.19141770e-09-6.94939834e-14 2 2.23906188e+04-9.31506212e+01-2.14116888e+00 7.85455789e-02-5.88318720e-05 3 2.31523366e-08-3.92721807e-12 3.07384995e+04 3.64889422e+01 4 CH3C6H4CHCH THERMC 9H 9 0 0G 300.0000 5000.0000 1394.00 1 2.17867317e+01 2.46107189e-02-8.45336438e-06 1.31643184e-09-7.65487395e-14 2 3.28270825e+04-9.02056564e+01-2.83479324e+00 8.62335516e-02-7.01120834e-05 3 3.10019720e-08-5.87013908e-12 4.10258871e+04 4.07236407e+01 4 CH3C6H3C2H3 THERMC 9H 9 0 0G 300.0000 5000.0000 1397.00 1 2.07153265e+01 2.53450779e-02-8.66525698e-06 1.34498869e-09-7.80222878e-14 2 3.42395664e+04-8.37982395e+01-2.37147499e+00 8.39380221e-02-6.85675553e-05 3 3.09063045e-08-5.97429257e-12 4.18822623e+04 3.87459613e+01 4 A2O2CH3 10/11/12 THERMC 11H 9O 2 0G 300.0000 5000.0000 1396.00 1 2.94739559e+01 2.83589047e-02-9.77202739e-06 1.52549305e-09-8.88695568e-14 2 5.91759505e+03-1.31553066e+02-5.03884738e-02 9.39344304e-02-6.35658086e-05 3 2.10566522e-08-2.80626364e-12 1.63562748e+04 2.79854565e+01 4 O2A2CH3 10/11/12 THERMC 11H 9O 2 0G 300.0000 5000.0000 1396.00 1 2.94739559e+01 2.83589047e-02-9.77202739e-06 1.52549305e-09-8.88695568e-14 2 5.91759505e+03-1.31553066e+02-5.03884738e-02 9.39344304e-02-6.35658086e-05 3 2.10566522e-08-2.80626364e-12 1.63562748e+04 2.79854565e+01 4 CH2OOHC6H4C2H THERMC 9H 8O 2 0G 300.0000 5000.0000 1382.00 1 2.83696476e+01 2.09905571e-02-7.28170147e-06 1.14287495e-09-6.68606687e-14 2 1.07883520e+04-1.21204711e+02-5.88300345e-01 8.98033656e-02-7.02527827e-05 3 2.80697335e-08-4.71217439e-12 2.06266343e+04 3.37792334e+01 4 CH2OOC6H4C2H THERMC 9H 7O 2 0G 300.0000 5000.0000 1372.00 1 2.69565853e+01 2.05918036e-02-7.25635544e-06 1.15031898e-09-6.77468368e-14 2 2.84401949e+04-1.14279293e+02 2.39430766e-01 8.07879469e-02-5.91630171e-05 3 2.22597358e-08-3.64668934e-12 3.79054428e+04 2.99888890e+01 4 O2C6H4C2H 10/11/12 THERMC 8H 5O 2 0G 300.0000 5000.0000 1398.00 1 2.41817464e+01 1.50785826e-02-5.20998868e-06 8.15773126e-10-4.76530565e-14 2 3.22298952e+04-1.00490200e+02 3.36823260e-01 7.20955650e-02-5.65101498e-05 3 2.15945480e-08-3.28784026e-12 4.01880578e+04 2.68044540e+01 4 CH3C9H5O 8/16/12 ESTIMC 10H 8O 1 0G 300.0000 5000.0000 1396.00 1 2.53501115e+01 2.48141017e-02-8.58286564e-06 1.34302344e-09-7.83613980e-14 2 -7.66680310e+03-1.10104159e+02-5.63496247e+00 1.05614187e-01-9.25071058e-05 3 4.27520996e-08-8.21823297e-12 2.27728178e+03 5.34264335e+01 4 HOC9H5O 8/16/12 ESTIMC 9H 6O 2 0G 300.0000 5000.0000 1403.00 1 2.56734154e+01 1.92869184e-02-6.64106577e-06 1.03620831e-09-6.03446762e-14 2 -2.44591485e+04-1.12477563e+02-5.98874327e+00 1.09540825e-01-1.08348827e-04 3 5.43280455e-08-1.08836858e-11-1.50916314e+04 5.18589240e+01 4 HOC9H7 10/11/12 THERMC 9H 8O 1 0G 300.0000 5000.0000 1400.00 1 2.33689178e+01 2.38599404e-02-8.23337944e-06 1.28629698e-09-7.49687000e-14 2 -1.30117431e+04-1.03029826e+02-8.13547472e+00 1.08052411e-01-9.76043752e-05 3 4.60178920e-08-8.91019660e-12-3.12617270e+03 6.24801324e+01 4 HOC9H6 10/11/12 THERMC 9H 7O 1 0G 300.0000 5000.0000 1402.00 1 2.37633727e+01 2.09664878e-02-7.23234755e-06 1.12968570e-09-6.58336228e-14 2 1.95472665e+03-1.03296599e+02-7.91171381e+00 1.09824051e-01-1.06146028e-04 3 5.25909247e-08-1.04949124e-11 1.14871265e+04 6.16459602e+01 4 CH3C9H7 10/11/12 THERMC 10H 10 0 0G 300.0000 5000.0000 1393.00 1 2.30571440e+01 2.93786244e-02-1.01727262e-05 1.59279335e-09-9.29698848e-14 2 3.77532039e+03-1.02919113e+02-7.83960019e+00 1.04413217e-01-8.22251402e-05 3 3.47574161e-08-6.32291920e-12 1.42507308e+04 6.21155347e+01 4 CH3C9H6 10/11/12 THERMC 10H 9 0 0G 300.0000 5000.0000 1395.00 1 2.34485365e+01 2.64848674e-02-9.17097559e-06 1.43600838e-09-8.38222825e-14 2 1.87427601e+04-1.03167767e+02-7.58114647e+00 1.06010110e-01-9.04886810e-05 3 4.11449905e-08-7.86301598e-12 2.88593406e+04 6.11249831e+01 4 C9H7O 10/11/12 ESTIMC 9H 7O 1 0G 300.0000 5000.0000 1404.00 1 2.41084016e+01 2.02467685e-02-6.81492054e-06 1.04836334e-09-6.04884582e-14 2 1.59666943e+04-1.09011123e+02-9.01925016e+00 1.11493118e-01-1.05220469e-04 3 5.02385612e-08-9.61909266e-12 2.59716866e+04 6.38531202e+01 4 HOC9H6OH 10/11/12 ESTIMC 9H 8O 2 0G 300.0000 5000.0000 1409.00 1 2.79114942e+01 2.11023150e-02-7.07716682e-06 1.08608652e-09-6.25615359e-14 2 -3.29996078e+04-1.26941479e+02-6.83545418e+00 1.15335209e-01-1.06373620e-04 3 4.93218702e-08-9.15183193e-12-2.24277509e+04 5.47674651e+01 4 HOC9H6O 10/11/12 ESTIMC 9H 7O 2 0G 300.0000 5000.0000 1410.00 1 2.79346014e+01 1.92807286e-02-6.51743324e-06 1.00567889e-09-5.81559044e-14 2 -6.75647833e+03-1.27241200e+02-6.47704687e+00 1.12207252e-01-1.03805766e-04 3 4.78822071e-08-8.81229113e-12 3.73438294e+03 5.28211178e+01 4 CH3C9H6OH 10/11/12 ESTIMC 10H 10O 1 0G 300.0000 5000.0000 1397.00 1 2.68978960e+01 2.68187821e-02-9.00032154e-06 1.38153881e-09-7.95832747e-14 2 -1.58452203e+04-1.20358469e+02-7.16844039e+00 1.14546560e-01-9.73514958e-05 3 4.29940000e-08-7.82866886e-12-4.94301717e+03 5.95717750e+01 4 CH3C9H6O 10/11/12 ESTIMC 10H 9O 1 0G 300.0000 5000.0000 1398.00 1 2.68671176e+01 2.50212757e-02-8.44427453e-06 1.30123902e-09-7.51654135e-14 2 1.04061724e+04-1.20378221e+02-7.21300175e+00 1.12862986e-01-9.68324696e-05 3 4.28071582e-08-7.76718763e-12 2.12908229e+04 5.95712922e+01 4 A2OCH2 11/23/12 THERMC 11H 8O 1 0G 300.0000 5000.0000 1393.00 1 3.00708687e+01 2.47591768e-02-8.78645963e-06 1.39840308e-09-8.25542628e-14 2 -4.44813407e+03-1.41045702e+02-8.70924326e+00 1.24420777e-01-1.10353528e-04 3 5.05304114e-08-9.58204470e-12 8.10739238e+03 6.40796386e+01 4 CH3C9H5OH 10/11/12 ESTIMC 10H 9O 1 0G 300.0000 5000.0000 1403.00 1 2.57462112e+01 2.49530485e-02-8.28812276e-06 1.26297509e-09-7.23727038e-14 2 -4.10421139e+03-1.12179612e+02-5.85008596e+00 1.09660789e-01-9.73679462e-05 3 4.49108471e-08-8.44593710e-12 5.68295545e+03 5.35372609e+01 4 HOC9H5OH 10/11/12 ESTIMC 9H 7O 2 0G 300.0000 5000.0000 1413.00 1 2.69738674e+01 1.91259943e-02-6.34407760e-06 9.66171980e-10-5.53530037e-14 2 -2.13998554e+04-1.20125055e+02-6.05217927e+00 1.12418581e-01-1.08734759e-04 3 5.25397959e-08-1.00554715e-11-1.17114802e+04 5.12878280e+01 4 C22H18 10/15/12 THERMC 22H 18 0 0G 300.0000 5000.0000 1398.00 1 5.17639715e+01 5.52381141e-02-1.91344344e-05 2.99699596e-09-1.74980931e-13 2 7.83583408e+03-2.55282037e+02-7.71803082e+00 1.92761900e-01-1.40228016e-04 3 5.22181429e-08-8.18485679e-12 2.84414075e+04 6.44292729e+01 4 C22H17 10/15/12 THERMC 22H 17 0 0G 300.0000 5000.0000 1398.00 1 5.19139978e+01 5.30280294e-02-1.83807075e-05 2.88021473e-09-1.68215381e-13 2 2.54418199e+04-2.56144818e+02-5.66401533e+00 1.85932795e-01-1.35072002e-04 3 5.01061316e-08-7.81129894e-12 4.54035026e+04 5.33986518e+01 4 C22H16 10/15/12 THERMC 22H 16 0 0G 300.0000 5000.0000 1393.00 1 5.25575119e+01 5.06649808e-02-1.77290485e-05 2.79565112e-09-1.63989806e-13 2 1.96730808e+04-2.61607617e+02-6.72316928e+00 1.87480921e-01-1.38291026e-04 3 5.20947302e-08-8.29531027e-12 4.02600380e+04 5.71606421e+01 4 C22H15 10/15/12 THERMC 22H 15 0 0G 300.0000 5000.0000 1391.00 1 5.22505509e+01 4.88293597e-02-1.71016639e-05 2.69831192e-09-1.58345494e-13 2 3.62409889e+04-2.60100419e+02-4.03461650e+00 1.76231658e-01-1.26088248e-04 3 4.55169879e-08-6.91581593e-12 5.60179671e+04 4.34108314e+01 4 C22H17OO 10/15/12 THERMC 22H 17O 2 0G 300.0000 5000.0000 1387.00 1 5.83655754e+01 5.32711855e-02-1.87986605e-05 2.98084648e-09-1.75525815e-13 2 1.05757697e+04-2.87075683e+02-7.12382575e+00 2.01917941e-01-1.46950732e-04 3 5.41407910e-08-8.45923897e-12 3.35798804e+04 6.59893885e+01 4 C9H6OH 0C 9H 7O 1N 0G 300.0000 4000.0000 1000.00 1 1.50365020e+01 3.45605650e-02-1.56562670e-05 3.31606510e-09-2.68137750e-13 2 4.73557180e+03-5.64725691e+01-9.11749027e+00 1.19312730e-01-1.35582923e-04 3 8.55288506e-08-2.31524403e-11 1.05126976e+04 6.39052751e+01 4 C9H7OH 0C 9H 8O 1N 0G 300.0000 4000.0000 1000.00 1 1.44474520e+01 3.82558950e-02-1.73205680e-05 3.66749130e-09-2.96534350e-13 2 -6.09790701e+03-5.42671649e+01-9.39044704e+00 1.19284243e-01-1.28061963e-04 3 7.74168336e-08-2.04949305e-11-2.58039963e+02 6.52080425e+01 4 C7H5 0C 7H 5O 0N 0G 300.0000 4000.0000 1000.00 1 1.17751740e+01 2.20715340e-02-9.83842470e-06 2.05932860e-09-1.65093320e-13 2 4.91587847e+04-3.66252001e+01-5.33460016e+00 8.84514323e-02-1.13410557e-04 3 7.85029944e-08-2.23067512e-11 5.29200689e+04 4.70252929e+01 4 O-OA2O 0C 10H 6O 2N 0G 300.0000 4000.0000 1000.00 1 1.69332800e+01 3.66919120e-02-1.69564480e-05 3.64204990e-09-2.97509610e-13 2 -1.55503469e+04-6.48139071e+01-7.38473280e+00 1.18653035e-01-1.29385498e-04 3 7.98888322e-08-2.17583522e-11-9.50607269e+03 5.73719928e+01 4 p-OA2O 0C 10H 6O 2N 0G 300.0000 4000.0000 1000.00 1 1.69094970e+01 3.66751180e-02-1.69299480e-05 3.63252320e-09-2.96428780e-13 2 -1.92510471e+04-6.56772157e+01-7.48554833e+00 1.18561992e-01-1.28718362e-04 3 7.91289116e-08-2.14962314e-11-1.31707705e+04 5.69796086e+01 4 A2CO Radic T 7/98C 11H 7O 1 0G 200.0000 6000.0000 1000.00 1 2.27592940e+01 2.95236092e-02-1.08144575e-05 1.76929286e-09-1.06921871e-13 2 1.06429048e+04-9.54214580e+01-4.13154411e+00 9.92539489e-02-7.52469978e-05 3 2.90067068e-08-5.75129709e-12 1.84656080e+04 4.51517572e+01 4 A2CH2 T 7/98C 11H 9 0 0G 200.0000 6000.0000 1000.00 1 2.18977539e+01 3.26102636e-02-1.18401218e-05 1.92574628e-09-1.15903442e-13 2 2.25012846e+04-9.40560662e+01-7.12129005e+00 1.12013330e-01-9.26546564e-05 3 4.14217906e-08-9.18143608e-12 3.06960687e+04 5.65056233e+01 4 A2CH3 T 7/98C 11H 10 0 0G 200.0000 6000.0000 1000.00 1 2.17939213e+01 3.60214098e-02-1.33228698e-05 2.19304403e-09-1.33071380e-13 2 3.21032800e+03-9.48146065e+01-5.98700378e+00 1.02159070e-01-6.74351290e-05 3 2.31282824e-08-5.31278559e-12 1.17619760e+04 5.23242107e+01 4 C9H8 INDENE T 9/96C 9H 8 0 0G 200.0000 6000.0000 1000.00 1 1.73186757e+01 2.89827586e-02-1.06050551e-05 1.73345448e-09-1.04679146e-13 2 1.11977766e+04-7.15039634e+01-5.49673223e+00 8.22860120e-02-4.77707409e-05 3 7.41669763e-09 8.89918062e-13 1.81303895e+04 4.92358169e+01 4 C12H9 g 8/00C 12.H 9. 0. 0.G 200.0000 6000.0000 1000.00 1 2.25692222e+01 3.45619984e-02-1.27020877e-05 2.08111819e-09-1.25849407e-13 2 4.06418263e+04-9.57220359e+01-4.89869053e+00 9.90542482e-02-5.93588840e-05 3 1.17896123e-08-2.01884315e-13 4.90039630e+04 4.96385756e+01 4 A2C2H5 T 7/98C 12H 12 0 0G 200.0000 6000.0000 1000.00 1 2.53697727e+01 4.04594180e-02-1.49784208e-05 2.46402471e-09-1.49382751e-13 2 -7.66221325e+02-1.14399915e+02-5.59792320e+00 1.09486832e-01-6.03129279e-05 3 9.92158105e-09-3.32149914e-13 8.97143438e+03 5.07170294e+01 4 A2C2H4P T 7/98C 12H 11 0 0G 200.0000 6000.0000 1000.00 1 2.47911542e+01 3.71007852e-02-1.34341683e-05 2.17751785e-09-1.30703605e-13 2 2.36999439e+04-1.07438518e+02-6.74084651e+00 1.25165530e-01-1.06785903e-04 3 5.08147561e-08-1.19489512e-11 3.25211571e+04 5.57300980e+01 4 A2C2H4S T11/98C 12H 11 0 0G 200.0000 6000.0000 1000.00 1 2.45873044e+01 3.73929821e-02-1.36001742e-05 2.21047875e-09-1.32883841e-13 2 1.50346675e+04-1.05371138e+02-6.30000989e+00 1.21330257e-01-9.80661776e-05 3 4.28799179e-08-9.38628023e-12 2.37919983e+04 5.50434660e+01 4 A2C2H2 T 7/98C 12H 9 0 0G 200.0000 6000.0000 1000.00 1 2.44441957e+01 3.26961470e-02-1.18995546e-05 1.93488254e-09-1.16386321e-13 2 4.52956655e+04-1.05872509e+02-6.46936056e+00 1.16473792e-01-9.42890228e-05 3 3.90351090e-08-7.69123334e-12 5.40234681e+04 5.46148315e+01 4 A2C2H3 T11/98C 12H 10 0 0G 200.0000 6000.0000 1000.00 1 2.36421335e+01 3.60544766e-02-1.31138294e-05 2.13119639e-09-1.28115416e-13 2 1.47132034e+04-1.02728036e+02-6.45894493e+00 1.15014246e-01-8.67386354e-05 3 3.29058146e-08-6.13661834e-12 2.33840453e+04 5.42994008e+01 4 A2CHO G3B3 H 8C 11O 1N 0G 300.0000 3000.0000 1000.00 1 -5.55792190e-01 8.73748443e-02-5.61818352e-05 1.67233286e-08-1.88092851e-12 2 1.03455228e+03 2.63086898e+01-4.87929105e+00 9.83093626e-02-4.54845327e-05 3 -2.01808358e-08 1.77149140e-11 1.63189711e+03 4.72936199e+01 4 A2R5- G3B3 H 7C 12O 0N 0G 300.0000 3000.0000 1000.00 1 4.90108932e+00 6.98931618e-02-4.24225860e-05 1.21346296e-08-1.32683710e-12 2 5.94391141e+04-3.69961351e+00-9.79698705e+00 1.22277188e-01-1.04932443e-04 3 3.87945689e-08-3.16286990e-12 6.24840178e+04 6.82743647e+01 4 A1CH3CH2 G3B3 H 9C 8O 0N 0G 300.0000 3000.0000 1000.00 1 2.36833258e+00 6.03935028e-02-3.50507105e-05 9.72810282e-09-1.04236133e-12 2 1.76344521e+04 1.35706841e+01-5.06171508e+00 8.70708240e-02-6.45749742e-05 3 1.84648571e-08 4.97874462e-13 1.90750247e+04 4.96831353e+01 4 A1CH3CHO G3B3 H 8C 8O 1N 0G 300.0000 3000.0000 1000.00 1 9.22059379e-01 6.50623128e-02-3.90202529e-05 1.10866861e-08-1.20786311e-12 2 -1.13895901e+04 2.29799583e+01-2.28640464e+00 7.20780777e-02-3.23578616e-05 3 -1.04515353e-08 9.86066601e-12-1.07389562e+04 3.92085568e+01 4 A1CHOCH2 G3B3 H 7C 8O 1N 0G 300.0000 3000.0000 1000.00 1 5.25955102e+00 5.44879576e-02-3.20685601e-05 8.97677768e-09-9.66803716e-13 2 6.61511721e+03-1.14571337e-01-3.91654942e+00 8.75542637e-02-7.17106565e-05 3 2.57664539e-08-2.00458918e-12 8.48223477e+03 4.46893146e+01 4 A1CHOCHO G3B3 H 6C 8O 2N 0G 300.0000 3000.0000 1000.00 1 3.92023646e+00 5.90009596e-02-3.59224864e-05 1.02976725e-08-1.12780488e-12 2 -2.20802687e+04 8.20067364e+00-1.05921166e+00 7.25550594e-02-3.97445361e-05 3 -2.80273488e-09 7.22000057e-12-2.09983131e+04 3.32342589e+01 4 C12H8 HR 4/99 BLYP00C 12H 8 0 0G 300.0000 5000.0000 1401.00 1 2.75844041e+01 2.58939856e-02-8.95813505e-06 1.40202452e-09-8.18183535e-14 2 3.71716928e+04-1.29095771e+02-1.03247421e+01 1.29079165e-01-1.20297387e-04 3 5.77763492e-08-1.12793206e-11 4.88639933e+04 6.93702895e+01 4 BIPHENH HR 4/99 BLYP00C 12H 9 0 0G 300.0000 5000.0000 1402.00 1 2.87663424e+01 2.73722766e-02-9.45354931e-06 1.47784724e-09-8.61724077e-14 2 4.70905363e+04-1.34420093e+02-1.09054313e+01 1.36186545e-01-1.27867410e-04 3 6.19050200e-08-1.21616677e-11 5.92569740e+04 7.30034553e+01 4 BICYCLO C 12H 10 G 200.0000 6000.0000 1000.00 1 2.22544880e+01 3.76431620e-02-1.36674430e-05 2.22469590e-09-1.34033300e-13 2 3.21172453e+04-9.98571872e+01-3.80858316e+00 7.39430779e-02 3.38112299e-05 3 -9.73801131e-08 4.17552580e-11 4.07274781e+04 4.28701580e+01 4 C8H17-1 4/24/ 7 THERMC 8H 17 0 0G 300.0000 5000.0000 1390.00 1 2.50510356e+01 3.69480162e-02-1.25765264e-05 1.94628409e-09-1.12668898e-13 2 -1.33164774e+04-1.02540663e+02-1.21522199e+00 9.64224008e-02-6.57930290e-05 3 2.52913884e-08-4.47365009e-12-3.88301234e+03 3.94614128e+01 4 C8H17-2 4/24/ 7 THERMC 8H 17 0 0G 300.0000 5000.0000 1383.00 1 2.49043504e+01 3.66393792e-02-1.23849888e-05 1.90835394e-09-1.10160725e-13 2 -1.47032023e+04-1.01331962e+02-6.48660866e-01 9.04784358e-02-5.48245355e-05 3 1.74763059e-08-2.54671990e-12-5.20381382e+03 3.80965194e+01 4 C8H17-3 4/24/ 7 THERMC 8H 17 0 0G 300.0000 5000.0000 1383.00 1 2.49043504e+01 3.66393792e-02-1.23849888e-05 1.90835394e-09-1.10160725e-13 2 -1.47032023e+04-1.01331962e+02-6.48660866e-01 9.04784358e-02-5.48245355e-05 3 1.74763059e-08-2.54671990e-12-5.20381382e+03 3.80965194e+01 4 C8H17-4 4/24/ 7 THERMC 8H 17 0 0G 300.0000 5000.0000 1383.00 1 2.49043504e+01 3.66393792e-02-1.23849888e-05 1.90835394e-09-1.10160725e-13 2 -1.47032023e+04-1.01331962e+02-6.48660866e-01 9.04784358e-02-5.48245355e-05 3 1.74763059e-08-2.54671990e-12-5.20381382e+03 3.80965194e+01 4 C8H17O-1 4/25/ 7 THERMC 8H 17O 1 0G 300.0000 5000.0000 1389.00 1 2.72512508e+01 3.78200130e-02-1.30114097e-05 2.02793912e-09-1.17974804e-13 2 -3.08345769e+04-1.13015161e+02-1.06689134e+00 1.02656618e-01-7.25508141e-05 3 2.92086807e-08-5.41283798e-12-2.06793210e+04 3.99291381e+01 4 C8H17O-2 4/25/ 7 THERMC 8H 17O 1 0G 300.0000 5000.0000 1393.00 1 2.78003985e+01 3.73607151e-02-1.28535855e-05 2.00329125e-09-1.16536735e-13 2 -3.31505938e+04-1.16992542e+02-1.58395447e+00 1.07016446e-01-7.94507336e-05 3 3.34133633e-08-6.31001424e-12-2.28651566e+04 4.08400476e+01 4 C8H17O-3 4/25/ 7 THERMC 8H 17O 1 0G 300.0000 5000.0000 1393.00 1 2.78003985e+01 3.73607151e-02-1.28535855e-05 2.00329125e-09-1.16536735e-13 2 -3.31505938e+04-1.16992542e+02-1.58395447e+00 1.07016446e-01-7.94507336e-05 3 3.34133633e-08-6.31001424e-12-2.28651566e+04 4.08400476e+01 4 C8H17O-4 4/25/ 7 THERMC 8H 17O 1 0G 300.0000 5000.0000 1393.00 1 2.78003985e+01 3.73607151e-02-1.28535855e-05 2.00329125e-09-1.16536735e-13 2 -3.31505938e+04-1.16992542e+02-1.58395447e+00 1.07016446e-01-7.94507336e-05 3 3.34133633e-08-6.31001424e-12-2.28651566e+04 4.08400476e+01 4 C8H17O2H-1 6/26/ 7 THERMC 8H 18O 2 0G 300.0000 5000.0000 1391.00 1 3.05096604e+01 3.97525935e-02-1.36839926e-05 2.13351153e-09-1.24144728e-13 2 -5.08840374e+04-1.27285104e+02 8.14232054e-01 1.07615990e-01-7.57093764e-05 3 3.02269515e-08-5.54704231e-12-4.02318283e+04 3.31234716e+01 4 C8H17O2-1 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1388.00 1 2.88539796e+01 3.87250890e-02-1.33542732e-05 2.08457254e-09-1.21395954e-13 2 -3.33497506e+04-1.17705034e+02 1.77802687e+00 9.85201580e-02-6.60700922e-05 3 2.54334235e-08-4.64672709e-12-2.33817596e+04 2.93774430e+01 4 C8OOH1-2 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1386.00 1 3.01516942e+01 3.67482122e-02-1.24906804e-05 1.93177283e-09-1.11799171e-13 2 -2.71984831e+04-1.21946899e+02 1.91555257e+00 9.80120179e-02-6.28154584e-05 3 2.12959224e-08-3.24408808e-12-1.69041117e+04 3.14475944e+01 4 C8OOH1-3 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1386.00 1 3.01516942e+01 3.67482122e-02-1.24906804e-05 1.93177283e-09-1.11799171e-13 2 -2.71984831e+04-1.21946899e+02 1.91555257e+00 9.80120179e-02-6.28154584e-05 3 2.12959224e-08-3.24408808e-12-1.69041117e+04 3.14475944e+01 4 C8OOH1-4 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1386.00 1 3.01516942e+01 3.67482122e-02-1.24906804e-05 1.93177283e-09-1.11799171e-13 2 -2.71984831e+04-1.21946899e+02 1.91555257e+00 9.80120179e-02-6.28154584e-05 3 2.12959224e-08-3.24408808e-12-1.69041117e+04 3.14475944e+01 4 C8OOH1-5 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1386.00 1 3.01516942e+01 3.67482122e-02-1.24906804e-05 1.93177283e-09-1.11799171e-13 2 -2.71984831e+04-1.21946899e+02 1.91555257e+00 9.80120179e-02-6.28154584e-05 3 2.12959224e-08-3.24408808e-12-1.69041117e+04 3.14475944e+01 4 C8H17O2H-2 6/26/ 7 THERMC 8H 18O 2 0G 300.0000 5000.0000 1393.00 1 3.08689709e+01 3.93478541e-02-1.35221259e-05 2.10591021e-09-1.22442560e-13 2 -5.26838504e+04-1.30601898e+02-8.10628771e-02 1.12912517e-01-8.39991777e-05 3 3.53601270e-08-6.67060577e-12-4.18779944e+04 3.55565027e+01 4 C8H17O2-2 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 2.89216990e+01 3.85701463e-02-1.32782828e-05 2.07028457e-09-1.20463356e-13 2 -3.50213009e+04-1.19316837e+02 6.82789000e-01 1.04861161e-01-7.67664478e-05 3 3.25402008e-08-6.30065245e-12-2.49971141e+04 3.27288688e+01 4 C8OOH2-1 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.04521956e+01 3.72028300e-02-1.27929451e-05 1.99320061e-09-1.15924476e-13 2 -2.76209502e+04-1.25509860e+02 6.89894590e-01 1.08262728e-01-8.12174303e-05 3 3.44152734e-08-6.51328438e-12-1.72636856e+04 3.41557927e+01 4 C8OOH2-3 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH2-4 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH2-5 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH2-6 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8H17O2H-3 6/26/ 7 THERMC 8H 18O 2 0G 300.0000 5000.0000 1393.00 1 3.08689709e+01 3.93478541e-02-1.35221259e-05 2.10591021e-09-1.22442560e-13 2 -5.26838504e+04-1.30601898e+02-8.10628771e-02 1.12912517e-01-8.39991777e-05 3 3.53601270e-08-6.67060577e-12-4.18779944e+04 3.55565027e+01 4 C8H17O2-3 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 2.89216990e+01 3.85701463e-02-1.32782828e-05 2.07028457e-09-1.20463356e-13 2 -3.50213009e+04-1.19316837e+02 6.82789000e-01 1.04861161e-01-7.67664478e-05 3 3.25402008e-08-6.30065245e-12-2.49971141e+04 3.27288688e+01 4 C8OOH3-1 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.04521956e+01 3.72028300e-02-1.27929451e-05 1.99320061e-09-1.15924476e-13 2 -2.76209502e+04-1.25509860e+02 6.89894590e-01 1.08262728e-01-8.12174303e-05 3 3.44152734e-08-6.51328438e-12-1.72636856e+04 3.41557927e+01 4 C8OOH3-2 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH3-4 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH3-5 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH3-6 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH3-7 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8H17O2H-4 6/26/ 7 THERMC 8H 18O 2 0G 300.0000 5000.0000 1393.00 1 3.08689709e+01 3.93478541e-02-1.35221259e-05 2.10591021e-09-1.22442560e-13 2 -5.26838504e+04-1.30601898e+02-8.10628771e-02 1.12912517e-01-8.39991777e-05 3 3.53601270e-08-6.67060577e-12-4.18779944e+04 3.55565027e+01 4 C8H17O2-4 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 2.89216990e+01 3.85701463e-02-1.32782828e-05 2.07028457e-09-1.20463356e-13 2 -3.50213009e+04-1.19316837e+02 6.82789000e-01 1.04861161e-01-7.67664478e-05 3 3.25402008e-08-6.30065245e-12-2.49971141e+04 3.27288688e+01 4 C8OOH4-1 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.04521956e+01 3.72028300e-02-1.27929451e-05 1.99320061e-09-1.15924476e-13 2 -2.76209502e+04-1.25509860e+02 6.89894590e-01 1.08262728e-01-8.12174303e-05 3 3.44152734e-08-6.51328438e-12-1.72636856e+04 3.41557927e+01 4 C8OOH4-2 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH4-3 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH4-5 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH4-6 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH4-7 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1390.00 1 3.05294323e+01 3.63070264e-02-1.23123362e-05 1.90124533e-09-1.09913885e-13 2 -2.90062830e+04-1.25367305e+02 1.02366430e+00 1.03231197e-01-7.08998074e-05 3 2.62319440e-08-4.30624899e-12-1.85493135e+04 3.38767542e+01 4 C8OOH4-8 6/26/ 7 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.04521956e+01 3.72028300e-02-1.27929451e-05 1.99320061e-09-1.15924476e-13 2 -2.76209502e+04-1.25509860e+02 6.89894590e-01 1.08262728e-01-8.12174303e-05 3 3.44152734e-08-6.51328438e-12-1.72636856e+04 3.41557927e+01 4 C8O1-2 6/27/ 7 THERMC 8H 16O 1 0G 300.0000 5000.0000 1394.00 1 2.66403912e+01 3.66846073e-02-1.26287147e-05 1.96906795e-09-1.14579768e-13 2 -3.69958534e+04-1.12746616e+02-4.41524326e+00 1.13115083e-01-8.89065641e-05 3 3.92694846e-08-7.61017192e-12-2.64117266e+04 5.30584114e+01 4 C8O2-3 6/27/ 7 THERMC 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.76661224e+01 3.58262509e-02-1.23366126e-05 1.92398016e-09-1.11977890e-13 2 -3.95662781e+04-1.18913869e+02-5.02515545e+00 1.17129164e-01-9.37353364e-05 3 4.14494047e-08-7.93402723e-12-2.85690911e+04 5.52155638e+01 4 C8O3-4 6/27/ 7 THERMC 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.76661224e+01 3.58262509e-02-1.23366126e-05 1.92398016e-09-1.11977890e-13 2 -3.95662781e+04-1.18913869e+02-5.02515545e+00 1.17129164e-01-9.37353364e-05 3 4.14494047e-08-7.93402723e-12-2.85690911e+04 5.52155638e+01 4 C8O4-5 6/27/ 7 THERMC 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.76661224e+01 3.58262509e-02-1.23366126e-05 1.92398016e-09-1.11977890e-13 2 -3.95662781e+04-1.18913869e+02-5.02515545e+00 1.17129164e-01-9.37353364e-05 3 4.14494047e-08-7.93402723e-12-2.85690911e+04 5.52155638e+01 4 C8O1-3 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1393.00 1 2.63784127e+01 3.71448760e-02-1.28416202e-05 2.00806139e-09-1.17087172e-13 2 -3.80849872e+04-1.13218444e+02-6.18610253e+00 1.16041772e-01-9.00046157e-05 3 3.90069386e-08-7.45178562e-12-2.68793731e+04 6.10529987e+01 4 C8O2-4 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.69194750e+01 3.64715497e-02-1.25621541e-05 1.95953108e-09-1.14063115e-13 2 -4.03509525e+04-1.16329784e+02-6.05092633e+00 1.17262002e-01-9.18900649e-05 3 3.97174493e-08-7.47072946e-12-2.91579591e+04 5.96794575e+01 4 C8O3-5 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.69194750e+01 3.64715497e-02-1.25621541e-05 1.95953108e-09-1.14063115e-13 2 -4.03509525e+04-1.16329784e+02-6.05092633e+00 1.17262002e-01-9.18900649e-05 3 3.97174493e-08-7.47072946e-12-2.91579591e+04 5.96794575e+01 4 C8O1-4 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1392.00 1 2.62402051e+01 3.74143406e-02-1.29699422e-05 2.03191309e-09-1.18634970e-13 2 -4.83945692e+04-1.14074445e+02-7.76667496e+00 1.18267342e-01-8.97682743e-05 3 3.76255306e-08-6.97306582e-12-3.65871611e+04 6.83739934e+01 4 C8O2-5 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1395.00 1 2.68116512e+01 3.67944056e-02-1.27262252e-05 1.99075277e-09-1.16111980e-13 2 -5.06877563e+04-1.17401356e+02-7.86579795e+00 1.20769379e-01-9.38264938e-05 3 3.99030996e-08-7.39501999e-12-3.88365646e+04 6.80367784e+01 4 C8O3-6 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1395.00 1 2.68116512e+01 3.67944056e-02-1.27262252e-05 1.99075277e-09-1.16111980e-13 2 -5.06877563e+04-1.17401356e+02-7.86579795e+00 1.20769379e-01-9.38264938e-05 3 3.99030996e-08-7.39501999e-12-3.88365646e+04 6.80367784e+01 4 C8O1-5 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1387.00 1 2.74666653e+01 3.68028981e-02-1.28575590e-05 2.02489837e-09-1.18660841e-13 2 -5.12354490e+04-1.26314116e+02-7.75483164e+00 1.17398687e-01-8.54212649e-05 3 3.37752841e-08-5.97876386e-12-3.87272918e+04 6.37037678e+01 4 C8O2-6 6/27/ 7 C 8H 16O 1 0G 300.0000 5000.0000 1390.00 1 2.80775085e+01 3.62356071e-02-1.26509664e-05 1.99150105e-09-1.16669278e-13 2 -5.35771135e+04-1.29951204e+02-8.42752188e+00 1.22414972e-01-9.32980680e-05 3 3.85896558e-08-7.01585218e-12-4.08884112e+04 6.60334513e+01 4 C8KET1-2 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1395.00 1 3.29156373e+01 3.51547897e-02-1.20988802e-05 1.88636243e-09-1.09770918e-13 2 -6.16227214e+04-1.38187376e+02-1.40964020e-01 1.17086414e-01-9.35203217e-05 3 4.10209589e-08-7.77510800e-12-5.05026549e+04 3.79375820e+01 4 C8KET1-3 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1391.00 1 3.17577054e+01 3.60508092e-02-1.23877493e-05 1.92927735e-09-1.12179431e-13 2 -6.22217140e+04-1.30791614e+02 2.29188431e+00 1.06526233e-01-8.04371894e-05 3 3.42930463e-08-6.52348088e-12-5.19787873e+04 2.72437082e+01 4 C8KET1-4 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1391.00 1 3.17577054e+01 3.60508092e-02-1.23877493e-05 1.92927735e-09-1.12179431e-13 2 -6.22217140e+04-1.30791614e+02 2.29188431e+00 1.06526233e-01-8.04371894e-05 3 3.42930463e-08-6.52348088e-12-5.19787873e+04 2.72437082e+01 4 C8KET1-5 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1391.00 1 3.17577054e+01 3.60508092e-02-1.23877493e-05 1.92927735e-09-1.12179431e-13 2 -6.22217140e+04-1.30791614e+02 2.29188431e+00 1.06526233e-01-8.04371894e-05 3 3.42930463e-08-6.52348088e-12-5.19787873e+04 2.72437082e+01 4 C8KET2-1 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.22584985e+01 3.57728548e-02-1.23240076e-05 1.92263864e-09-1.11925736e-13 2 -6.29835377e+04-1.33178294e+02-4.79229874e-01 1.18748275e-01-9.79307376e-05 3 4.49953949e-08-8.91833805e-12-5.20594841e+04 4.07707287e+01 4 C8KET3-1 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1386.00 1 3.10701534e+01 3.67494763e-02-1.26545162e-05 1.97362983e-09-1.14872547e-13 2 -6.42337983e+04-1.26026128e+02 2.85427835e+00 1.03295410e-01-7.69811764e-05 3 3.32630219e-08-6.55175624e-12-5.42356555e+04 2.58145234e+01 4 C8KET4-1 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1386.00 1 3.10701534e+01 3.67494763e-02-1.26545162e-05 1.97362983e-09-1.14872547e-13 2 -6.42337983e+04-1.26026128e+02 2.85427835e+00 1.03295410e-01-7.69811764e-05 3 3.32630219e-08-6.55175624e-12-5.42356555e+04 2.58145234e+01 4 C8KET2-3 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.24895629e+01 3.56544647e-02-1.23005438e-05 1.92079745e-09-1.11892595e-13 2 -6.54112772e+04-1.36224825e+02-5.21143021e-01 1.19424807e-01-9.89148534e-05 3 4.56151656e-08-9.06688029e-12-5.43996602e+04 3.91503708e+01 4 C8KET3-2 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.24895629e+01 3.56544647e-02-1.23005438e-05 1.92079745e-09-1.11892595e-13 2 -6.54112772e+04-1.36224825e+02-5.21143021e-01 1.19424807e-01-9.89148534e-05 3 4.56151656e-08-9.06688029e-12-5.43996602e+04 3.91503708e+01 4 C8KET3-4 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.24895629e+01 3.56544647e-02-1.23005438e-05 1.92079745e-09-1.11892595e-13 2 -6.54112772e+04-1.36224825e+02-5.21143021e-01 1.19424807e-01-9.89148534e-05 3 4.56151656e-08-9.06688029e-12-5.43996602e+04 3.91503708e+01 4 C8KET4-3 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.24895629e+01 3.56544647e-02-1.23005438e-05 1.92079745e-09-1.11892595e-13 2 -6.54112772e+04-1.36224825e+02-5.21143021e-01 1.19424807e-01-9.89148534e-05 3 4.56151656e-08-9.06688029e-12-5.43996602e+04 3.91503708e+01 4 C8KET4-5 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.24895629e+01 3.56544647e-02-1.23005438e-05 1.92079745e-09-1.11892595e-13 2 -6.54112772e+04-1.36224825e+02-5.21143021e-01 1.19424807e-01-9.89148534e-05 3 4.56151656e-08-9.06688029e-12-5.43996602e+04 3.91503708e+01 4 C8KET2-4 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET2-5 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET2-6 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET3-5 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET3-6 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET3-7 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET4-2 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET4-6 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET4-7 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1388.00 1 3.14310869e+01 3.63369202e-02-1.24886333e-05 1.94527218e-09-1.13121348e-13 2 -6.60338839e+04-1.29350822e+02 1.94194764e+00 1.08653298e-01-8.53512803e-05 3 3.84358404e-08-7.68141059e-12-5.58788360e+04 2.83295524e+01 4 C8KET4-8 6/28/ 7 C 8H 16O 3 0G 300.0000 5000.0000 1386.00 1 3.10701534e+01 3.67494763e-02-1.26545162e-05 1.97362983e-09-1.14872547e-13 2 -6.42337983e+04-1.26026128e+02 2.85427835e+00 1.03295410e-01-7.69811764e-05 3 3.32630219e-08-6.55175624e-12-5.42356555e+04 2.58145234e+01 4 NC8H17CHO 6/29/ 7 THERMC 9H 18O 1 0G 300.0000 5000.0000 1387.00 1 2.93159876e+01 4.08274135e-02-1.39769225e-05 2.17133596e-09-1.26033874e-13 2 -5.20061343e+04-1.22401778e+02 1.84094278e-01 1.07073222e-01-7.45188717e-05 3 2.98358076e-08-5.55676730e-12-4.14940802e+04 3.51351651e+01 4 NC8H17CO 6/29/ 7 THERMC 9H 17O 1 0G 300.0000 5000.0000 1387.00 1 2.88955797e+01 3.86794407e-02-1.32455027e-05 2.05815859e-09-1.19484050e-13 2 -3.30401883e+04-1.18464241e+02 1.00519127e+00 1.01944780e-01-7.07629251e-05 3 2.81480992e-08-5.20565558e-12-2.29702628e+04 3.23968326e+01 4 NC7H15CHO 6/29/ 7 THERMC 8H 16O 1 0G 300.0000 5000.0000 1386.00 1 2.61609074e+01 3.62858837e-02-1.24097058e-05 1.92662114e-09-1.11780863e-13 2 -4.79106747e+04-1.06876585e+02 4.61767491e-01 9.44261838e-02-6.51835994e-05 3 2.58913377e-08-4.80280738e-12-3.86086787e+04 3.22013569e+01 4 NC7H15CO 6/29/ 7 THERMC 8H 15O 1 0G 300.0000 5000.0000 1386.00 1 2.57444491e+01 3.41545888e-02-1.16883107e-05 1.81544096e-09-1.05364440e-13 2 -2.89495148e+04-1.02971030e+02 1.26407402e+00 8.94156459e-02-6.16270012e-05 3 2.43544321e-08-4.49249446e-12-2.00830158e+04 2.95425445e+01 4 NC6H13CHO 6/29/ 7 THERMC 7H 14O 1 0G 300.0000 5000.0000 1385.00 1 2.30172858e+01 3.17488129e-02-1.08471869e-05 1.68296998e-09-9.76031894e-14 2 -4.38229184e+04-9.14252875e+01 7.28318448e-01 8.18531714e-02-5.59598564e-05 3 2.20254678e-08-4.06926602e-12-3.57224113e+04 2.93131525e+01 4 C8H17COCH2 6/29/ 7 THERMC 10H 19O 1 0G 300.0000 5000.0000 2042.00 1 3.84899756e+01 4.26845993e-02-1.60270313e-05 2.65608399e-09-1.61444591e-13 2 -3.96610133e+04-1.66373778e+02-3.63368663e-01 1.28872949e-01-8.47853608e-05 3 2.62431214e-08-3.11037308e-12-2.64505355e+04 4.29835845e+01 4 C7H15COCH2 6/29/ 7 THERMC 9H 17O 1 0G 300.0000 5000.0000 1675.00 1 3.58965716e+01 3.71930374e-02-1.40056860e-05 2.32553498e-09-1.41539827e-13 2 -3.59105586e+04-1.54120822e+02 1.16282643e+00 1.08096508e-01-5.96360233e-05 3 1.05580946e-08 5.32252300e-13-2.36945537e+04 3.47529723e+01 4 C6H13COCH2 6/29/ 7 THERMC 8H 15O 1 0G 300.0000 5000.0000 1555.00 1 3.87539007e+01 2.49169377e-02-9.01596404e-06 1.45340658e-09-8.65628452e-14 2 -3.49124473e+04-1.73607798e+02 8.42093937e-01 1.00609608e-01-5.84672957e-05 3 1.14772742e-08 2.71618162e-13-2.07967993e+04 3.40130950e+01 4 C5H11COCH2 6/29/ 7 C 7H 13O 1 0G 300.0000 5000.0000 1479.00 1 3.59214730e+01 1.98490061e-02-7.20844329e-06 1.16483926e-09-6.94927184e-14 2 -3.07327276e+04-1.59514791e+02-1.33147113e-01 9.58633471e-02-6.18050673e-05 3 1.53204647e-08-6.42197349e-13-1.77916448e+04 3.63600348e+01 4 C8COC2H4P 6/30/ 7 C 11H 21O 1 0G 300.0000 5000.0000 1386.00 1 3.49083552e+01 4.79102428e-02-1.64093829e-05 2.55007243e-09-1.48053189e-13 2 -3.89406400e+04-1.47016583e+02 1.72619849e-01 1.29126751e-01-9.40683984e-05 3 3.99622789e-08-7.80549921e-12-2.65646517e+04 4.01542167e+01 4 C7COC2H4P 6/30/ 7 THERMC 10H 19O 1 0G 300.0000 5000.0000 1385.00 1 3.17683863e+01 4.33663974e-02-1.48437685e-05 2.30586334e-09-1.33840138e-13 2 -3.48538786e+04-1.31584905e+02 4.39339888e-01 1.16557613e-01-8.48602404e-05 3 3.61147124e-08-7.07886320e-12-2.36785015e+04 3.72644405e+01 4 C6COC2H4P 6/30/ 7 C 9H 17O 1 0G 300.0000 5000.0000 1384.00 1 2.86428785e+01 3.87988606e-02-1.32678075e-05 2.05983952e-09-1.19514158e-13 2 -3.07726954e+04-1.16233924e+02 7.15922297e-01 1.03928422e-01-7.55260166e-05 3 3.21601308e-08-6.32155209e-12-2.07935405e+04 3.43316550e+01 4 C5COC2H4P 6/30/ 7 C 8H 15O 1 0G 300.0000 5000.0000 1383.00 1 2.54583317e+01 3.43402731e-02-1.17414395e-05 1.82273018e-09-1.05752320e-13 2 -2.66729974e+04-1.00561514e+02 1.02385184e+00 9.12073495e-02-6.61603451e-05 3 2.82736642e-08-5.59877182e-12-1.79142357e+04 3.12457370e+01 4 C4COC2H4P 6/30/ 7 C 7H 13O 1 0G 300.0000 5000.0000 1381.00 1 2.25119200e+01 2.94746899e-02-1.00348912e-05 1.55377231e-09-8.99981839e-14 2 -2.26589563e+04-8.62074176e+01 1.32054541e+00 7.83648988e-02-5.62350458e-05 3 2.37406755e-08-4.66775338e-12-1.50299591e+04 2.82404248e+01 4 C8COC3H6P 6/30/ 7 THERMC 12H 23O 1 0G 300.0000 5000.0000 1387.00 1 3.80562887e+01 5.24410245e-02-1.79692792e-05 2.79327669e-09-1.62203616e-13 2 -4.30304750e+04-1.62492680e+02-8.67244526e-02 1.41651721e-01-1.03184899e-04 3 4.37324531e-08-8.50985990e-12-2.94517061e+04 4.30117003e+01 4 C7COC3H6P 6/30/ 7 THERMC 11H 21O 1 0G 300.0000 5000.0000 1386.00 1 3.49083552e+01 4.79102428e-02-1.64093829e-05 2.55007243e-09-1.48053189e-13 2 -3.89406400e+04-1.47016583e+02 1.72619849e-01 1.29126751e-01-9.40683984e-05 3 3.99622789e-08-7.80549921e-12-2.65646517e+04 4.01542167e+01 4 C6COC3H6P 6/30/ 7 THERMC 10H 19O 1 0G 300.0000 5000.0000 1385.00 1 3.17683863e+01 4.33663974e-02-1.48437685e-05 2.30586334e-09-1.33840138e-13 2 -3.48538786e+04-1.31584905e+02 4.39339888e-01 1.16557613e-01-8.48602404e-05 3 3.61147124e-08-7.07886320e-12-2.36785015e+04 3.72644405e+01 4 C5COC3H6P 6/30/ 7 THERMC 9H 17O 1 0G 300.0000 5000.0000 1384.00 1 2.86428785e+01 3.87988606e-02-1.32678075e-05 2.05983952e-09-1.19514158e-13 2 -3.07726954e+04-1.16233924e+02 7.15922297e-01 1.03928422e-01-7.55260166e-05 3 3.21601308e-08-6.32155209e-12-2.07935405e+04 3.43316550e+01 4 C4COC3H6P 6/30/ 7 THERMC 8H 15O 1 0G 300.0000 5000.0000 1383.00 1 2.54583317e+01 3.43402731e-02-1.17414395e-05 1.82273018e-09-1.05752320e-13 2 -2.66729974e+04-1.00561514e+02 1.02385184e+00 9.12073495e-02-6.61603451e-05 3 2.82736642e-08-5.59877182e-12-1.79142357e+04 3.12457370e+01 4 C3COC3H6P 6/30/ 7 THERMC 7H 13O 1 0G 300.0000 5000.0000 1381.00 1 2.25119200e+01 2.94746899e-02-1.00348912e-05 1.55377231e-09-8.99981839e-14 2 -2.26589563e+04-8.62074176e+01 1.32054541e+00 7.83648988e-02-5.62350458e-05 3 2.37406755e-08-4.66775338e-12-1.50299591e+04 2.82404248e+01 4 NC3H7COC2H3 7/ 4/7 THERMC 6H 10O 1 0G 300.0000 5000.0000 1388.00 1 1.87183592e+01 2.41363189e-02-8.35497476e-06 1.30748276e-09-7.62747475e-14 2 -2.96612977e+04-7.06523456e+01-1.56550000e-01 7.04100633e-02-5.56709905e-05 3 2.56633124e-08-5.28301745e-12-2.30970319e+04 3.03913319e+01 4 NC4H9COC2H3 7/ 4/7 THERMC 7H 12O 1 0G 300.0000 5000.0000 1388.00 1 2.18818919e+01 2.86391260e-02-9.90229082e-06 1.54844346e-09-9.02839943e-14 2 -3.37562304e+04-8.62137465e+01-4.11715575e-01 8.29238562e-02-6.47918435e-05 3 2.94564047e-08-5.99978842e-12-2.59848346e+04 3.32283609e+01 4 C5H11COC2H3 7/ 4/7 THERMC 8H 14O 1 0G 300.0000 5000.0000 1389.00 1 2.50468172e+01 3.31391031e-02-1.14482905e-05 1.78916517e-09-1.04278029e-13 2 -3.78518787e+04-1.01782965e+02-6.58265227e-01 9.53762037e-02-7.37702504e-05 3 3.31182277e-08-6.67542554e-12-2.88734960e+04 3.60293589e+01 4 C6H13COC2H3 7/ 4/7 THERMC 9H 16O 1 0G 300.0000 5000.0000 1389.00 1 2.82126657e+01 3.76372508e-02-1.29934448e-05 2.02973390e-09-1.18262347e-13 2 -4.19475607e+04-1.17356897e+02-9.10649328e-01 1.07871277e-01-8.28509417e-05 3 3.68764421e-08-7.38191791e-12-3.17615873e+04 3.88546227e+01 4 NC3H7CHCO 7/ 4/ 7 THERMC 5H 8O 1 0G 300.0000 5000.0000 1410.00 1 1.66895213e+01 1.71553097e-02-5.63973470e-06 8.53281780e-10-4.86482271e-14 2 -1.12887158e+04-8.51585585e+01-3.31794381e+00 6.93939278e-02-5.85340876e-05 3 2.56030364e-08-4.56947484e-12-4.99825445e+03 2.01864981e+01 4 NC4H9CHCO 7/ 4/ 7 THERMC 6H 10O 1 0G 300.0000 5000.0000 1405.00 1 1.93417334e+01 2.15648454e-02-7.04319719e-06 1.06052990e-09-6.02500816e-14 2 -1.50149400e+04-9.73630166e+01-3.90108435e+00 8.43117372e-02-7.35601609e-05 3 3.39090073e-08-6.40288940e-12-7.85132990e+03 2.44002827e+01 4 C6H13CHCO 7/ 4/ 7 THERMC 8H 14O 1 0G 300.0000 5000.0000 1401.00 1 2.55063371e+01 3.00694197e-02-9.83292784e-06 1.48180364e-09-8.42301329e-14 2 -2.30091684e+04-1.27195953e+02-5.10232805e+00 1.12686202e-01-9.79920629e-05 3 4.55832978e-08-8.74661821e-12-1.35226561e+04 3.32538295e+01 4 C7H15CHCO 7/ 4/ 7 THERMC 9H 16O 1 0G 300.0000 5000.0000 1398.00 1 2.86422822e+01 3.44833290e-02-1.13268686e-05 1.71223288e-09-9.75422355e-14 2 -2.70696424e+04-1.42518145e+02-4.64379402e+00 1.22177798e-01-1.02857590e-04 3 4.67774400e-08-8.88162092e-12-1.65216637e+04 3.27582011e+01 4 C8H15 7/ 4/ 7 THERMC 8H 15 0 0G 300.0000 5000.0000 1385.00 1 2.33542716e+01 3.34308759e-02-1.13090513e-05 1.74349916e-09-1.00683122e-13 2 -6.08524265e+01-9.21331567e+01-1.41372616e+00 8.77392178e-02-5.69841549e-05 3 2.00558113e-08-3.22196044e-12 8.93990914e+03 4.22697859e+01 4 C8OOH1-2O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH1-3O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH1-4O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH1-5O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH2-1O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH3-1O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH4-1O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH4-8O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1388.00 1 3.59167660e+01 3.73517271e-02-1.29696842e-05 2.03425618e-09-1.18872912e-13 2 -4.84570107e+04-1.50520654e+02 3.23998198e+00 1.09895750e-01-7.52987782e-05 3 2.77605845e-08-4.62582801e-12-3.66519832e+04 2.65157458e+01 4 C8OOH2-3O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH2-4O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH2-5O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH2-6O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH3-2O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH3-4O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH3-5O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH3-6O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH3-7O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH4-2O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH4-3O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH4-5O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH4-6O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 C8OOH4-7O2 7/6/7THERMC 8H 17O 4 0G 300.0000 5000.0000 1390.00 1 3.63052727e+01 3.69462032e-02-1.28128493e-05 2.00799179e-09-1.17270885e-13 2 -5.02731758e+04-1.54016389e+02 2.44331922e+00 1.14796944e-01-8.29625319e-05 3 3.24972856e-08-5.66159019e-12-3.83147751e+04 2.84801795e+01 4 IC8H17CHO 2/18/ 8 THERMC 9H 18O 1 0G 300.0000 5000.0000 1399.00 1 3.28141700e+01 3.78623815e-02-1.29592843e-05 2.01333020e-09-1.16877343e-13 2 -5.55415813e+04-1.50639260e+02-5.24483205e+00 1.32569733e-01-1.06095262e-04 3 4.55909414e-08-8.33265860e-12-4.28984577e+04 5.17832236e+01 4 IC8H17CO 2/18/ 8 THERMC 9H 17O 1 0G 300.0000 5000.0000 1400.00 1 3.23974739e+01 3.57309149e-02-1.22377576e-05 1.90212277e-09-1.10459085e-13 2 -3.65802898e+04-1.46732072e+02-4.43559796e+00 1.27524857e-01-1.02479975e-04 3 4.40111693e-08-8.01105375e-12-2.43737735e+04 4.90929252e+01 4 IC5H9 2/14/95 C 5H 9 0 0G 300.0000 5000.0000 1385.00 1 1.45682106e+01 2.05021258e-02-7.11493758e-06 1.11535314e-09-6.51460929e-14 2 5.05093399e+03-5.46206921e+01-6.49667227e-01 5.46261010e-02-3.81320537e-05 3 1.54494568e-08-2.95352174e-12 1.06251866e+04 2.79073512e+01 4 IC6H11 2/12/98 THERMC 6H 11 0 0G 300.0000 5000.0000 1390.00 1 1.64032377e+01 2.62333073e-02-9.01322879e-06 1.40344925e-09-8.15881244e-14 2 -4.42189682e+02-6.42766489e+01-1.14812985e+00 6.41375299e-02-4.10693789e-05 3 1.48142261e-08-2.55038688e-12 6.08012544e+03 3.13232089e+01 4 IC3H7COC2H3 2/22/96 THRMC 6H 10O 1 0G 300.0000 5000.0000 1392.00 1 1.92038956e+01 2.37201947e-02-8.21177710e-06 1.28526153e-09-7.49892123e-14 2 -3.08881630e+04-7.50514911e+01-2.30115485e+00 7.70736779e-02-6.20646677e-05 3 2.79473247e-08-5.48919496e-12-2.35925287e+04 3.96298455e+01 4 IC3H6COC2H3 2/22/96 THRMC 6H 9O 1 0G 300.0000 5000.0000 1392.00 1 1.87930502e+01 2.15620206e-02-7.47633436e-06 1.17140015e-09-6.83971779e-14 2 -5.82504825e+03-6.99871362e+01-1.52094349e+00 7.24008990e-02-5.92507081e-05 3 2.69739988e-08-5.32280237e-12 1.01980980e+03 3.81820656e+01 4 TC3H6COC2H3 2/22/96 THRMC 6H 9O 1 0G 300.0000 5000.0000 1382.00 1 1.74889119e+01 2.27387392e-02-7.89761331e-06 1.23876571e-09-7.23848454e-14 2 -7.85540240e+03-6.24746884e+01 1.56966600e+00 5.55845824e-02-3.40536773e-05 3 1.16233654e-08-1.97158521e-12-1.76381259e+03 2.48222510e+01 4 HCOCJ*O 1/ 7/94 THERMC 2H 1O 2 0G 300.0000 5000.0000 1413.00 1 9.56248658e+00 2.73668655e-03-1.00178635e-06 1.62732634e-10-9.74372616e-15 2 -3.22258283e+03-2.52170011e+01 2.30680142e-01 2.82003914e-02-2.78025833e-05 3 1.30673408e-08-2.40410913e-12-4.16779851e+02 2.34964559e+01 4 CYCHEXENE T 2/90C 6H 10 0 0G 200.0000 6000.0000 1000.00 1 1.17739040e+01 3.09473600e-02-1.12343300e-05 1.82624940e-09-1.09851190e-13 2 -7.15840288e+03-4.26093923e+01-2.24971509e+00 4.96308823e-02 4.60427579e-06 3 -2.98070526e-08 1.10249419e-11-2.07471330e+03 3.54202471e+01 4 NC5H11COC2H3 7/4/7 THERMC 8H 14O 1 0G 300.0000 5000.0000 1389.00 1 2.50468172e+01 3.31391031e-02-1.14482905e-05 1.78916517e-09-1.04278029e-13 2 -3.78518787e+04-1.01782965e+02-6.58265227e-01 9.53762037e-02-7.37702504e-05 3 3.31182277e-08-6.67542554e-12-2.88734960e+04 3.60293589e+01 4 NC6H13COC2H3 7/4/7 THERMC 9H 16O 1 0G 300.0000 5000.0000 1389.00 1 2.82126657e+01 3.76372508e-02-1.29934448e-05 2.02973390e-09-1.18262347e-13 2 -4.19475607e+04-1.17356897e+02-9.10649328e-01 1.07871277e-01-8.28509417e-05 3 3.68764421e-08-7.38191791e-12-3.17615873e+04 3.88546227e+01 4 CHOCO2J 4/18/ 7 THERMC 2H 1O 3 0G 300.0000 5000.0000 1382.00 1 1.02173553e+01 5.07924700e-03-1.91347540e-06 3.12342713e-10-1.86710538e-14 2 -3.63604694e+04-2.48123589e+01 3.31058539e+00 2.12993893e-02-1.69616032e-05 3 7.07871115e-09-1.28754673e-12-3.39562697e+04 1.22904742e+01 4 NC8H17COC2H3 10/ 8 THERMC 11H 20O 1 0G 300.0000 5000.0000 1388.00 1 3.39522395e+01 4.69948952e-02-1.61779125e-05 2.52246002e-09-1.46782051e-13 2 -4.78119536e+04-1.44379834e+02-3.74195185e-01 1.25955939e-01-8.98397127e-05 3 3.70534484e-08-7.07003368e-12-3.54773601e+04 4.09965142e+01 4 NC7H15COC2H3 10/ 8 THERMC 10H 18O 1 0G 300.0000 5000.0000 1388.00 1 3.07846109e+01 4.25042225e-02-1.46365952e-05 2.28261651e-09-1.32844924e-13 2 -4.37166329e+04-1.28798720e+02-1.32239599e-01 1.13510909e-01-8.08388591e-05 3 3.33511914e-08-6.37752104e-12-3.25877822e+04 3.82188300e+01 4 C8H18-2 5/ 8/ 5 THERMC 8H 18 0 0G 300.0000 5000.0000 1391.00 1 2.54269577e+01 3.94527058e-02-1.34985843e-05 2.09602707e-09-1.21616165e-13 2 -3.95645574e+04-1.08950305e+02-2.57510407e+00 1.03596645e-01-7.23270654e-05 3 2.88431807e-08-5.29925414e-12-2.95329327e+04 4.22612704e+01 4 C8H17-2A 5/ 8/ 5 THERMC 8H 17 0 0G 300.0000 5000.0000 1391.00 1 2.49974297e+01 3.73191668e-02-1.27733827e-05 1.98393041e-09-1.15133126e-13 2 -1.44932237e+04-1.03777826e+02-1.75422042e+00 9.87527754e-02-6.92793466e-05 3 2.77356887e-08-5.10448737e-12-4.92692979e+03 4.06235058e+01 4 C8H17-2G 5/ 8/ 5 THERMC 8H 17 0 0G 300.0000 5000.0000 1391.00 1 2.49974297e+01 3.73191668e-02-1.27733827e-05 1.98393041e-09-1.15133126e-13 2 -1.44932237e+04-1.03777826e+02-1.75422042e+00 9.87527754e-02-6.92793466e-05 3 2.77356887e-08-5.10448737e-12-4.92692979e+03 4.06235058e+01 4 C8H17-2C 5/ 8/ 5 THERMC 8H 17 0 0G 300.0000 5000.0000 1387.00 1 2.47400345e+01 3.71272981e-02-1.26233254e-05 1.95231249e-09-1.12977248e-13 2 -1.58152181e+04-1.01902389e+02-1.31013302e+00 9.34173629e-02-5.92689305e-05 3 2.04843550e-08-3.28444167e-12-6.23086566e+03 3.98127834e+01 4 C8H17-2D 5/ 8/ 5 THERMC 8H 17 0 0G 300.0000 5000.0000 1387.00 1 2.47400345e+01 3.71272981e-02-1.26233254e-05 1.95231249e-09-1.12977248e-13 2 -1.58152181e+04-1.01902389e+02-1.31013302e+00 9.34173629e-02-5.92689305e-05 3 2.04843550e-08-3.28444167e-12-6.23086566e+03 3.98127834e+01 4 C8H17-2E 5/ 8/ 5 THERMC 8H 17 0 0G 300.0000 5000.0000 1387.00 1 2.47400345e+01 3.71272981e-02-1.26233254e-05 1.95231249e-09-1.12977248e-13 2 -1.58152181e+04-1.01902389e+02-1.31013302e+00 9.34173629e-02-5.92689305e-05 3 2.04843550e-08-3.28444167e-12-6.23086566e+03 3.98127834e+01 4 C8H17-2F 5/ 8/ 5 THERMC 8H 17 0 0G 300.0000 5000.0000 1387.00 1 2.47400345e+01 3.71272981e-02-1.26233254e-05 1.95231249e-09-1.12977248e-13 2 -1.58152181e+04-1.01902389e+02-1.31013302e+00 9.34173629e-02-5.92689305e-05 3 2.04843550e-08-3.28444167e-12-6.23086566e+03 3.98127834e+01 4 C8H17-2B 5/ 8/ 5 THERMC 8H 17 0 0G 300.0000 5000.0000 1384.00 1 2.34434957e+01 3.86553277e-02-1.32374263e-05 2.05665175e-09-1.19377834e-13 2 -1.62947472e+04-9.40669704e+01 1.65292895e+00 8.06078680e-02-4.26241018e-05 3 1.16957214e-08-1.62823461e-12-7.65680350e+03 2.64868024e+01 4 C7H14-1-2 5/ 8/ 5 THERMC 7H 14 0 0G 300.0000 5000.0000 1392.00 1 2.10362326e+01 3.12251826e-02-1.06455286e-05 1.64909068e-09-9.55267368e-14 2 -2.00105986e+04-8.49463629e+01-1.22239584e+00 8.29793211e-02-5.89661170e-05 3 2.39561979e-08-4.44264267e-12-1.21181232e+04 3.49699905e+01 4 C8H16-1-2 5/ 8/ 5 THERMC 8H 16 0 0G 300.0000 5000.0000 1391.00 1 2.42942390e+01 3.55409247e-02-1.21060032e-05 1.87427516e-09-1.08530718e-13 2 -2.41278160e+04-1.01007195e+02-1.54860926e+00 9.57706096e-02-6.83414942e-05 3 2.77531413e-08-5.12448312e-12-1.49948559e+04 3.81402833e+01 4 C8H16-2-2 5/9/ 5 THERMC 8H 16 0 0G 300.0000 5000.0000 1390.00 1 2.38193041e+01 3.59772998e-02-1.22634136e-05 1.89952994e-09-1.10027885e-13 2 -2.54732090e+04-9.87965160e+01-1.09701104e+00 9.25625958e-02-6.35196431e-05 3 2.48994038e-08-4.52308378e-12-1.65037796e+04 3.59157096e+01 4 C8H16-3-2 5/10/5 THERMC 8H 16 0 0G 300.0000 5000.0000 1394.00 1 2.38767788e+01 3.61765064e-02-1.23847165e-05 1.92376372e-09-1.11647873e-13 2 -2.47693077e+04-9.96905387e+01-3.44624363e+00 1.01469786e-01-7.54782240e-05 3 3.19904384e-08-6.07986449e-12-1.52512972e+04 4.68955872e+01 4 C8H16-4-2 5/10/5 THERMC 8H 16 0 0G 300.0000 5000.0000 1392.00 1 2.39175593e+01 3.61853901e-02-1.23978686e-05 1.92690358e-09-1.11875817e-13 2 -2.49382534e+04-9.99811141e+01-3.38134463e+00 1.01062949e-01-7.48089458e-05 3 3.16352988e-08-6.02718751e-12-1.53836147e+04 4.66204155e+01 4 C8H16-5-2 5/10/5 THERMC 8H 16 0 0G 300.0000 5000.0000 1391.00 1 2.38013945e+01 3.61907786e-02-1.23796975e-05 1.92202845e-09-1.11510927e-13 2 -2.49420770e+04-9.94011711e+01-2.32694434e+00 9.65205603e-02-6.82583415e-05 3 2.75569138e-08-5.09742565e-12-1.56319120e+04 4.15189330e+01 4 C8H16-6-2 5/11/5 THERMC 8H 16 0 0G 300.0000 5000.0000 1393.00 1 2.42774208e+01 3.57623689e-02-1.22267721e-05 1.89763691e-09-1.10070078e-13 2 -2.35989989e+04-1.01625227e+02-2.85722000e+00 1.00037910e-01-7.34706682e-05 3 3.06105805e-08-5.73317699e-12-1.41102097e+04 4.41152041e+01 4 C8H17O-1-2 5/24/5 THERMC 8H 17O 1 0G 300.0000 5000.0000 1390.00 1 2.74811848e+01 3.75744020e-02-1.29161783e-05 2.01202962e-09-1.17007752e-13 2 -3.20631407e+04-1.15722701e+02-1.86012943e+00 1.05896737e-01-7.67205655e-05 3 3.14331924e-08-5.84008537e-12-2.16815130e+04 4.22953703e+01 4 C8H17O-2-2 5/24/5 THERMC 8H 17O 1 0G 300.0000 5000.0000 1391.00 1 2.81549772e+01 3.70804138e-02-1.27622778e-05 1.98966012e-09-1.15770090e-13 2 -3.56237741e+04-1.20886769e+02-2.00035162e+00 1.09911959e-01-8.42155183e-05 3 3.66190863e-08-7.08793543e-12-2.51838379e+04 4.06469908e+01 4 C8H17O-3-2 5/24/5 THERMC 8H 17O 1 0G 300.0000 5000.0000 1392.00 1 2.81162098e+01 3.72856173e-02-1.28708561e-05 2.01051889e-09-1.17142050e-13 2 -3.44893688e+04-1.20373263e+02-2.77622831e+00 1.12102155e-01-8.65559613e-05 3 3.78583718e-08-7.35239232e-12-2.38085496e+04 4.50467345e+01 4 C8H17O-4-2 5/24/5 THERMC 8H 17O 1 0G 300.0000 5000.0000 1392.00 1 2.81162098e+01 3.72856173e-02-1.28708561e-05 2.01051889e-09-1.17142050e-13 2 -3.44893688e+04-1.20373263e+02-2.77622831e+00 1.12102155e-01-8.65559613e-05 3 3.78583718e-08-7.35239232e-12-2.38085496e+04 4.50467345e+01 4 C8H17O-5-2 5/24/5 THERMC 8H 17O 1 0G 300.0000 5000.0000 1392.00 1 2.81162098e+01 3.72856173e-02-1.28708561e-05 2.01051889e-09-1.17142050e-13 2 -3.44893688e+04-1.20373263e+02-2.77622831e+00 1.12102155e-01-8.65559613e-05 3 3.78583718e-08-7.35239232e-12-2.38085496e+04 4.50467345e+01 4 C8H17O-6-2 5/24/5 THERMC 8H 17O 1 0G 300.0000 5000.0000 1392.00 1 2.81162098e+01 3.72856173e-02-1.28708561e-05 2.01051889e-09-1.17142050e-13 2 -3.44893688e+04-1.20373263e+02-2.77622831e+00 1.12102155e-01-8.65559613e-05 3 3.78583718e-08-7.35239232e-12-2.38085496e+04 4.50467345e+01 4 C8H17O-7-2 5/24/5 THERMC 8H 17O 1 0G 300.0000 5000.0000 1390.00 1 2.74811848e+01 3.75744020e-02-1.29161783e-05 2.01202962e-09-1.17007752e-13 2 -3.20631407e+04-1.15722701e+02-1.86012943e+00 1.05896737e-01-7.67205655e-05 3 3.14331924e-08-5.84008537e-12-2.16815130e+04 4.22953703e+01 4 C8H17OOH-1-2 5/5 THERMC 8H 18O 2 0G 300.0000 5000.0000 1395.00 1 3.02489127e+01 4.00693846e-02-1.37200018e-05 2.13146968e-09-1.23714783e-13 2 -5.18521949e+04-1.27771431e+02 1.93229442e-01 1.10351273e-01-7.94114105e-05 3 3.22516046e-08-5.91131120e-12-4.12667085e+04 3.39502371e+01 4 C8H17OO-1-2 5/5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 2.77778951e+01 3.99241307e-02-1.36408139e-05 2.11588844e-09-1.22671153e-13 2 -3.39378271e+04-1.13433600e+02 1.09923349e+00 1.01798886e-01-7.18000859e-05 3 2.94370149e-08-5.56919264e-12-2.44092843e+04 3.04452390e+01 4 C8H17OOH-2-2 5/5 THERMC 8H 18O 2 0G 300.0000 5000.0000 1398.00 1 3.05940575e+01 3.95424570e-02-1.34853953e-05 2.08925601e-09-1.21027653e-13 2 -5.47627139e+04-1.31490752e+02-3.04756297e-01 1.16257467e-01-9.06076754e-05 3 3.99000097e-08-7.69476488e-12-4.43106781e+04 3.32156872e+01 4 C8H17OO-2-2 5/5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 2.81301270e+01 3.93749993e-02-1.33950026e-05 2.07155935e-09-1.19846111e-13 2 -3.68461108e+04-1.17181441e+02 6.32566946e-01 1.07555059e-01-8.27032194e-05 3 3.68326967e-08-7.27703251e-12-2.74580532e+04 2.95660164e+01 4 C8H17OOH-3-2 5/5 THERMC 8H 18O 2 0G 300.0000 5000.0000 1397.00 1 3.06089627e+01 3.96563076e-02-1.35537021e-05 2.10302571e-09-1.21957807e-13 2 -5.36528956e+04-1.31087647e+02-7.10909026e-01 1.15653451e-01-8.76903207e-05 3 3.73681815e-08-7.02949881e-12-4.29105551e+04 3.64366544e+01 4 C8H17OO-3-2 5/5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1396.00 1 2.81437693e+01 3.94922195e-02-1.34649640e-05 2.08563734e-09-1.20796200e-13 2 -3.57363607e+04-1.16772627e+02 2.18324445e-01 1.06986151e-01-7.98413496e-05 3 3.43394140e-08-6.62142709e-12-2.60566599e+04 3.28247543e+01 4 C8H17OOH-4-2 5/5 THERMC 8H 18O 2 0G 300.0000 5000.0000 1397.00 1 3.06089627e+01 3.96563076e-02-1.35537021e-05 2.10302571e-09-1.21957807e-13 2 -5.36528956e+04-1.31087647e+02-7.10909026e-01 1.15653451e-01-8.76903207e-05 3 3.73681815e-08-7.02949881e-12-4.29105551e+04 3.64366544e+01 4 C8H17OO-4-2 5/5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1396.00 1 2.81437693e+01 3.94922195e-02-1.34649640e-05 2.08563734e-09-1.20796200e-13 2 -3.57363607e+04-1.16772627e+02 2.18324445e-01 1.06986151e-01-7.98413496e-05 3 3.43394140e-08-6.62142709e-12-2.60566599e+04 3.28247543e+01 4 C8H17OOH-5-2 5/5 THERMC 8H 18O 2 0G 300.0000 5000.0000 1397.00 1 3.06089627e+01 3.96563076e-02-1.35537021e-05 2.10302571e-09-1.21957807e-13 2 -5.36528956e+04-1.31087647e+02-7.10909026e-01 1.15653451e-01-8.76903207e-05 3 3.73681815e-08-7.02949881e-12-4.29105551e+04 3.64366544e+01 4 C8H17OO-5-2 5/5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1396.00 1 2.81437693e+01 3.94922195e-02-1.34649640e-05 2.08563734e-09-1.20796200e-13 2 -3.57363607e+04-1.16772627e+02 2.18324445e-01 1.06986151e-01-7.98413496e-05 3 3.43394140e-08-6.62142709e-12-2.60566599e+04 3.28247543e+01 4 C8H17OOH-6-2 5/5 THERMC 8H 18O 2 0G 300.0000 5000.0000 1397.00 1 3.06089627e+01 3.96563076e-02-1.35537021e-05 2.10302571e-09-1.21957807e-13 2 -5.36528956e+04-1.31087647e+02-7.10909026e-01 1.15653451e-01-8.76903207e-05 3 3.73681815e-08-7.02949881e-12-4.29105551e+04 3.64366544e+01 4 C8H17OO-6-2 5/5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1396.00 1 2.81437693e+01 3.94922195e-02-1.34649640e-05 2.08563734e-09-1.20796200e-13 2 -3.57363607e+04-1.16772627e+02 2.18324445e-01 1.06986151e-01-7.98413496e-05 3 3.43394140e-08-6.62142709e-12-2.60566599e+04 3.28247543e+01 4 C8H17OOH-7-2 5/5 THERMC 8H 18O 2 0G 300.0000 5000.0000 1395.00 1 3.02489127e+01 4.00693846e-02-1.37200018e-05 2.13146968e-09-1.23714783e-13 2 -5.18521949e+04-1.27771431e+02 1.93229442e-01 1.10351273e-01-7.94114105e-05 3 3.22516046e-08-5.91131120e-12-4.12667085e+04 3.39502371e+01 4 C8H17OO-7-2 5/5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 2.77778951e+01 3.99241307e-02-1.36408139e-05 2.11588844e-09-1.22671153e-13 2 -3.39378271e+04-1.13433600e+02 1.09923349e+00 1.01798886e-01-7.18000859e-05 3 2.94370149e-08-5.56919264e-12-2.44092843e+04 3.04452390e+01 4 C8OOH1-2A 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1394.00 1 2.98185844e+01 3.79499329e-02-1.30026852e-05 2.02092356e-09-1.17335111e-13 2 -2.67876396e+04-1.22610458e+02 9.53077325e-01 1.05767238e-01-7.68100656e-05 3 3.14928527e-08-5.81482593e-12-1.66507519e+04 3.25997260e+01 4 C8OOH1-2B 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1387.00 1 2.87427655e+01 3.89397726e-02-1.33617948e-05 2.07888286e-09-1.20789004e-13 2 -2.88285843e+04-1.15765169e+02 4.20937602e+00 8.79629615e-02-4.93694698e-05 3 1.43298906e-08-1.97988148e-12-1.93556875e+04 1.91952238e+01 4 C8OOH1-2C 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.01308976e+01 3.67042984e-02-1.23737653e-05 1.90336395e-09-1.09747263e-13 2 -2.82773899e+04-1.23817233e+02 1.10772163e+00 1.01316054e-01-6.70466443e-05 3 2.34788561e-08-3.61824337e-12-1.79042027e+04 3.31913947e+01 4 C8OOH1-2D 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.01308976e+01 3.67042984e-02-1.23737653e-05 1.90336395e-09-1.09747263e-13 2 -2.82773899e+04-1.23817233e+02 1.10772163e+00 1.01316054e-01-6.70466443e-05 3 2.34788561e-08-3.61824337e-12-1.79042027e+04 3.31913947e+01 4 C8OOH1-2E 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.01308976e+01 3.67042984e-02-1.23737653e-05 1.90336395e-09-1.09747263e-13 2 -2.82773899e+04-1.23817233e+02 1.10772163e+00 1.01316054e-01-6.70466443e-05 3 2.34788561e-08-3.61824337e-12-1.79042027e+04 3.31913947e+01 4 C8OOH2-2A 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1398.00 1 3.01771066e+01 3.73956650e-02-1.27551707e-05 1.97633752e-09-1.14495523e-13 2 -2.96983702e+04-1.26394730e+02 4.60885519e-01 1.11653526e-01-8.79212432e-05 3 3.90289167e-08-7.55712039e-12-1.96961159e+04 3.18352203e+01 4 C8OOH2-2C 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1395.00 1 3.04537199e+01 3.62185849e-02-1.21579687e-05 1.86453892e-09-1.07274952e-13 2 -3.11801954e+04-1.27412857e+02 6.50924802e-01 1.07054136e-01-7.79942783e-05 3 3.09662686e-08-5.36109907e-12-2.09548805e+04 3.22625734e+01 4 C8OOH2-2D 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1395.00 1 3.04537199e+01 3.62185849e-02-1.21579687e-05 1.86453892e-09-1.07274952e-13 2 -3.11801954e+04-1.27412857e+02 6.50924802e-01 1.07054136e-01-7.79942783e-05 3 3.09662686e-08-5.36109907e-12-2.09548805e+04 3.22625734e+01 4 C8OOH2-2E 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1395.00 1 3.04537199e+01 3.62185849e-02-1.21579687e-05 1.86453892e-09-1.07274952e-13 2 -3.11801954e+04-1.27412857e+02 6.50924802e-01 1.07054136e-01-7.79942783e-05 3 3.09662686e-08-5.36109907e-12-2.09548805e+04 3.22625734e+01 4 C8OOH2-2F 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1395.00 1 3.04537199e+01 3.62185849e-02-1.21579687e-05 1.86453892e-09-1.07274952e-13 2 -3.11801954e+04-1.27412857e+02 6.50924802e-01 1.07054136e-01-7.79942783e-05 3 3.09662686e-08-5.36109907e-12-2.09548805e+04 3.22625734e+01 4 C8OOH3-2A 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 3.01799530e+01 3.75375533e-02-1.28370101e-05 1.99261571e-09-1.15587580e-13 2 -2.85891820e+04-1.25934918e+02 5.54206201e-02 1.11030781e-01-8.49962942e-05 3 3.65222166e-08-6.90522670e-12-1.82954754e+04 3.50573218e+01 4 C8OOH3-2B 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 2.86685950e+01 3.87959852e-02-1.32653140e-05 2.05884987e-09-1.19418468e-13 2 -3.03968982e+04-1.16443311e+02 3.41020748e+00 9.31584439e-02-5.86865094e-05 3 2.06171707e-08-3.43784581e-12-2.10190650e+04 2.11518631e+01 4 C8OOH3-2D 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH3-2E 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH3-2F 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH3-2G 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 3.01799530e+01 3.75375533e-02-1.28370101e-05 1.99261571e-09-1.15587580e-13 2 -2.85891820e+04-1.25934918e+02 5.54206201e-02 1.11030781e-01-8.49962942e-05 3 3.65222166e-08-6.90522670e-12-1.82954754e+04 3.50573218e+01 4 C8OOH4-2A 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 3.01799530e+01 3.75375533e-02-1.28370101e-05 1.99261571e-09-1.15587580e-13 2 -2.85891820e+04-1.25934918e+02 5.54206201e-02 1.11030781e-01-8.49962942e-05 3 3.65222166e-08-6.90522670e-12-1.82954754e+04 3.50573218e+01 4 C8OOH4-2B 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 2.86685950e+01 3.87959852e-02-1.32653140e-05 2.05884987e-09-1.19418468e-13 2 -3.03968982e+04-1.16443311e+02 3.41020748e+00 9.31584439e-02-5.86865094e-05 3 2.06171707e-08-3.43784581e-12-2.10190650e+04 2.11518631e+01 4 C8OOH4-2C 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH4-2E 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH4-2F 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH4-2G 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 3.01799530e+01 3.75375533e-02-1.28370101e-05 1.99261571e-09-1.15587580e-13 2 -2.85891820e+04-1.25934918e+02 5.54206201e-02 1.11030781e-01-8.49962942e-05 3 3.65222166e-08-6.90522670e-12-1.82954754e+04 3.50573218e+01 4 C8OOH5-2A 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 3.01799530e+01 3.75375533e-02-1.28370101e-05 1.99261571e-09-1.15587580e-13 2 -2.85891820e+04-1.25934918e+02 5.54206201e-02 1.11030781e-01-8.49962942e-05 3 3.65222166e-08-6.90522670e-12-1.82954754e+04 3.50573218e+01 4 C8OOH5-2B 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 2.86685950e+01 3.87959852e-02-1.32653140e-05 2.05884987e-09-1.19418468e-13 2 -3.03968982e+04-1.16443311e+02 3.41020748e+00 9.31584439e-02-5.86865094e-05 3 2.06171707e-08-3.43784581e-12-2.10190650e+04 2.11518631e+01 4 C8OOH5-2C 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH5-2D 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH5-2F 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH5-2G 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 3.01799530e+01 3.75375533e-02-1.28370101e-05 1.99261571e-09-1.15587580e-13 2 -2.85891820e+04-1.25934918e+02 5.54206201e-02 1.11030781e-01-8.49962942e-05 3 3.65222166e-08-6.90522670e-12-1.82954754e+04 3.50573218e+01 4 C8OOH6-2B 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1391.00 1 2.86685950e+01 3.87959852e-02-1.32653140e-05 2.05884987e-09-1.19418468e-13 2 -3.03968982e+04-1.16443311e+02 3.41020748e+00 9.31584439e-02-5.86865094e-05 3 2.06171707e-08-3.43784581e-12-2.10190650e+04 2.11518631e+01 4 C8OOH6-2C 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH6-2D 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH6-2E 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1393.00 1 3.05176683e+01 3.62490002e-02-1.21894353e-05 1.87180856e-09-1.07799023e-13 2 -3.00888357e+04-1.27283473e+02 2.15177992e-01 1.06538672e-01-7.51376368e-05 3 2.84214811e-08-4.68327139e-12-1.95493145e+04 3.56285402e+01 4 C8OOH6-2G 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1397.00 1 3.01799530e+01 3.75375533e-02-1.28370101e-05 1.99261571e-09-1.15587580e-13 2 -2.85891820e+04-1.25934918e+02 5.54206201e-02 1.11030781e-01-8.49962942e-05 3 3.65222166e-08-6.90522670e-12-1.82954754e+04 3.50573218e+01 4 C8OOH7-2C 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.01308976e+01 3.67042984e-02-1.23737653e-05 1.90336395e-09-1.09747263e-13 2 -2.82773899e+04-1.23817233e+02 1.10772163e+00 1.01316054e-01-6.70466443e-05 3 2.34788561e-08-3.61824337e-12-1.79042027e+04 3.31913947e+01 4 C8OOH7-2D 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.01308976e+01 3.67042984e-02-1.23737653e-05 1.90336395e-09-1.09747263e-13 2 -2.82773899e+04-1.23817233e+02 1.10772163e+00 1.01316054e-01-6.70466443e-05 3 2.34788561e-08-3.61824337e-12-1.79042027e+04 3.31913947e+01 4 C8OOH7-2E 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.01308976e+01 3.67042984e-02-1.23737653e-05 1.90336395e-09-1.09747263e-13 2 -2.82773899e+04-1.23817233e+02 1.10772163e+00 1.01316054e-01-6.70466443e-05 3 2.34788561e-08-3.61824337e-12-1.79042027e+04 3.31913947e+01 4 C8OOH7-2F 5/25/ 5 THERMC 8H 17O 2 0G 300.0000 5000.0000 1389.00 1 3.01308976e+01 3.67042984e-02-1.23737653e-05 1.90336395e-09-1.09747263e-13 2 -2.82773899e+04-1.23817233e+02 1.10772163e+00 1.01316054e-01-6.70466443e-05 3 2.34788561e-08-3.61824337e-12-1.79042027e+04 3.31913947e+01 4 C8H16O1-1-2 5/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1395.00 1 2.56118327e+01 3.76233253e-02-1.28765778e-05 2.00013283e-09-1.16089001e-13 2 -3.67043092e+04-1.09842078e+02-5.87791214e+00 1.12131678e-01-8.26785663e-05 3 3.36110653e-08-6.03826126e-12-2.57802670e+04 5.91452407e+01 4 C8H16O1-2-2 5/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1395.00 1 2.69350619e+01 3.62269057e-02-1.24260983e-05 1.93287404e-09-1.12290408e-13 2 -3.93741279e+04-1.16124895e+02-4.15211330e+00 1.12866641e-01-8.86154712e-05 3 3.88224300e-08-7.42757724e-12-2.88311997e+04 4.97315853e+01 4 C8H16O1-3-2 5/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1397.00 1 2.60151372e+01 3.74487135e-02-1.28509995e-05 1.99955302e-09-1.16187204e-13 2 -3.89868018e+04-1.11665998e+02-6.15010729e+00 1.15563668e-01-8.86392845e-05 3 3.76140934e-08-6.98234033e-12-2.80057373e+04 6.02767549e+01 4 C8H16O1-4-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1398.00 1 2.54163303e+01 3.83718019e-02-1.31677133e-05 2.04885623e-09-1.19053970e-13 2 -4.90824090e+04-1.09870179e+02-7.99278291e+00 1.19378403e-01-9.13760279e-05 3 3.85007935e-08-7.07864774e-12-3.76839487e+04 6.87305665e+01 4 C8H16O1-5-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1395.00 1 2.61275633e+01 3.85346767e-02-1.33009532e-05 2.07778557e-09-1.21070821e-13 2 -5.17148838e+04-1.19215164e+02-8.60406287e+00 1.21453778e-01-9.19466521e-05 3 3.81786003e-08-6.95946289e-12-3.97322472e+04 6.69220605e+01 4 C8H16O2-3-2 5/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.75398866e+01 3.58905331e-02-1.23480065e-05 1.92453349e-09-1.11957295e-13 2 -4.17613773e+04-1.20542861e+02-5.34319322e+00 1.20452400e-01-1.00762101e-04 3 4.67658175e-08-9.28951828e-12-3.09200137e+04 5.37281520e+01 4 C8H16O2-4-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1397.00 1 2.67410850e+01 3.69665215e-02-1.27136485e-05 1.98107195e-09-1.15228929e-13 2 -4.25953366e+04-1.17891008e+02-7.12341470e+00 1.23303233e-01-1.01873966e-04 3 4.65941504e-08-9.14038308e-12-3.13815553e+04 6.17985102e+01 4 C8H16O2-5-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1398.00 1 2.61186562e+01 3.78120585e-02-1.29822920e-05 2.02067355e-09-1.17442557e-13 2 -5.26493611e+04-1.15873595e+02-8.19876012e+00 1.23644056e-01-9.91878089e-05 3 4.38363197e-08-8.35013967e-12-4.11752851e+04 6.67054915e+01 4 C8H16O2-6-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1395.00 1 2.68371811e+01 3.79614615e-02-1.31093898e-05 2.04849744e-09-1.19389383e-13 2 -5.52837322e+04-1.25257483e+02-8.80735888e+00 1.25707419e-01-9.97331180e-05 3 4.34913851e-08-8.22454689e-12-4.32240311e+04 6.48843529e+01 4 C8H16O3-4-2 5/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1397.00 1 2.78393315e+01 3.56650608e-02-1.22781984e-05 1.91459366e-09-1.11421258e-13 2 -4.07833781e+04-1.21317280e+02-5.83697469e+00 1.20354023e-01-9.79162021e-05 3 4.37417919e-08-8.39225531e-12-2.95650840e+04 5.76972090e+01 4 C8H16O3-5-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.69513102e+01 3.69638661e-02-1.27520898e-05 1.99120631e-09-1.15987389e-13 2 -4.15566220e+04-1.18116856e+02-8.38380821e+00 1.28232371e-01-1.08571035e-04 3 5.07221990e-08-1.00997534e-11-2.99504233e+04 6.90012345e+01 4 C8H16O3-6-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.63344777e+01 3.79036786e-02-1.30748454e-05 2.04147799e-09-1.18911483e-13 2 -5.16511731e+04-1.16231519e+02-1.02905186e+01 1.32211484e-01-1.11515653e-04 3 5.17465294e-08-1.02326005e-11-3.96152651e+04 7.77789834e+01 4 C8H16O3-7-2 6/5 C 8H 16O 1 0G 300.0000 5000.0000 1395.00 1 2.61275633e+01 3.85346767e-02-1.33009532e-05 2.07778557e-09-1.21070821e-13 2 -5.17148838e+04-1.19904646e+02-8.60406287e+00 1.21453778e-01-9.19466521e-05 3 3.81786003e-08-6.95946289e-12-3.97322472e+04 6.62325788e+01 4 C8H16O4-5-2 5/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1397.00 1 2.78393315e+01 3.56650608e-02-1.22781984e-05 1.91459366e-09-1.11421258e-13 2 -4.07833781e+04-1.21317280e+02-5.83697469e+00 1.20354023e-01-9.79162021e-05 3 4.37417919e-08-8.39225531e-12-2.95650840e+04 5.76972090e+01 4 C8H16O4-6-2 5/5 C 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.69513102e+01 3.69638661e-02-1.27520898e-05 1.99120631e-09-1.15987389e-13 2 -4.15566220e+04-1.18116856e+02-8.38380821e+00 1.28232371e-01-1.08571035e-04 3 5.07221990e-08-1.00997534e-11-2.99504233e+04 6.90012345e+01 4 C8H16O4-7-2 6/5 C 8H 16O 1 0G 300.0000 5000.0000 1398.00 1 2.54163303e+01 3.83718019e-02-1.31677133e-05 2.04885623e-09-1.19053970e-13 2 -4.90824090e+04-1.10559661e+02-7.99278291e+00 1.19378403e-01-9.13760279e-05 3 3.85007935e-08-7.07864774e-12-3.76839487e+04 6.80410849e+01 4 C8H16O5-6-2 5/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1397.00 1 2.78393315e+01 3.56650608e-02-1.22781984e-05 1.91459366e-09-1.11421258e-13 2 -4.07833781e+04-1.21317280e+02-5.83697469e+00 1.20354023e-01-9.79162021e-05 3 4.37417919e-08-8.39225531e-12-2.95650840e+04 5.76972090e+01 4 C8H16O5-7-2 6/5 C 8H 16O 1 0G 300.0000 5000.0000 1397.00 1 2.60151372e+01 3.74487135e-02-1.28509995e-05 1.99955302e-09-1.16187204e-13 2 -3.89868018e+04-1.12355480e+02-6.15010729e+00 1.15563668e-01-8.86392845e-05 3 3.76140934e-08-6.98234033e-12-2.80057373e+04 5.95872732e+01 4 C8H16O6-7-2 6/5 THERMC 8H 16O 1 0G 300.0000 5000.0000 1396.00 1 2.67852989e+01 3.64563118e-02-1.25270973e-05 1.95085791e-09-1.13425497e-13 2 -3.81715569e+04-1.14916473e+02-4.81412834e+00 1.14459409e-01-9.01173271e-05 3 3.94943722e-08-7.54459426e-12-2.74696666e+04 5.36281493e+01 4 C8OOH1-OO1-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1389.00 1 3.48187922e+01 3.88177463e-02-1.34045542e-05 2.09468405e-09-1.22087534e-13 2 -4.74703782e+04-1.45767440e+02 3.57342478e+00 1.06597265e-01-6.94959529e-05 3 2.41038833e-08-3.79266457e-12-3.60352483e+04 2.40534942e+01 4 C8OOH1-OO2-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.55492297e+01 3.80459231e-02-1.31043179e-05 2.04423941e-09-1.19004213e-13 2 -5.05707462e+04-1.51798458e+02 3.02730209e+00 1.12612118e-01-7.98924925e-05 3 3.07798553e-08-5.27747569e-12-3.90749881e+04 2.35282086e+01 4 C8OOH2-OO1-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1393.00 1 3.55492297e+01 3.80459231e-02-1.31043179e-05 2.04423941e-09-1.19004213e-13 2 -5.05707462e+04-1.51798458e+02 3.02730209e+00 1.12612118e-01-7.98924925e-05 3 3.07798553e-08-5.27747569e-12-3.90749881e+04 2.35282086e+01 4 C8OOH1-OO3-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH3-OO1-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH1-OO4-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH4-OO1-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH1-OO5-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH5-OO1-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH3-OO7-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH7-OO3-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH4-OO7-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH7-OO4-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH5-OO7-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH7-OO5-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH6-OO7-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH7-OO6-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1392.00 1 3.52023828e+01 3.84060724e-02-1.32433622e-05 2.06751036e-09-1.20423398e-13 2 -4.92804939e+04-1.49225240e+02 2.76024534e+00 1.11594391e-01-7.73183981e-05 3 2.89269022e-08-4.84164490e-12-3.76961430e+04 2.60897440e+01 4 C8OOH2-OO3-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH3-OO2-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH2-OO4-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH4-OO2-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH2-OO5-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH5-OO2-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH2-OO6-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH6-OO2-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1396.00 1 3.57583793e+01 3.77368134e-02-1.29680334e-05 2.01983210e-09-1.17454795e-13 2 -5.22830215e+04-1.54181281e+02 2.24095327e+00 1.17724063e-01-8.84739971e-05 3 3.63429148e-08-6.53553113e-12-4.07436390e+04 2.54100152e+01 4 C8OOH3-OO4-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH4-OO3-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH3-OO5-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH5-OO3-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH3-OO6-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH6-OO3-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH4-OO5-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH5-OO4-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH4-OO6-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH6-OO4-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH5-OO6-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8OOH6-OO5-2 5/5 THERMC 8H 17O 4 0G 300.0000 5000.0000 1395.00 1 3.56056731e+01 3.79810236e-02-1.30784023e-05 2.03984477e-09-1.18734767e-13 2 -5.11030420e+04-1.52801379e+02 1.93792462e+00 1.16578229e-01-8.50364949e-05 3 3.36477689e-08-5.86185981e-12-3.93544558e+04 2.81832777e+01 4 C8KET1-1-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1394.00 1 3.17816363e+01 3.65566363e-02-1.25853004e-05 1.96256685e-09-1.14218687e-13 2 -6.16534474e+04-1.31463591e+02 1.04692876e+00 1.07654799e-01-7.72957977e-05 3 3.04252924e-08-5.33915144e-12-5.08279347e+04 3.40486024e+01 4 C8KET1-2-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1398.00 1 3.28082822e+01 3.55208382e-02-1.21914802e-05 1.89726839e-09-1.10261051e-13 2 -6.39338071e+04-1.39103427e+02 5.05228785e-01 1.14594492e-01-8.92366466e-05 3 3.80329904e-08-7.02091892e-12-5.30023798e+04 3.32932439e+01 4 C8KET1-3-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1396.00 1 3.16344564e+01 3.65297138e-02-1.25409935e-05 1.95189144e-09-1.13441436e-13 2 -6.32081507e+04-1.31763334e+02 1.43591871e-01 1.13347482e-01-8.76604321e-05 3 3.76206617e-08-7.06240271e-12-5.24747580e+04 3.64845738e+01 4 C8KET1-4-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1396.00 1 3.16344564e+01 3.65297138e-02-1.25409935e-05 1.95189144e-09-1.13441436e-13 2 -6.32081507e+04-1.31763334e+02 1.43591871e-01 1.13347482e-01-8.76604321e-05 3 3.76206617e-08-7.06240271e-12-5.24747580e+04 3.64845738e+01 4 C8KET1-5-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1396.00 1 3.16344564e+01 3.65297138e-02-1.25409935e-05 1.95189144e-09-1.13441436e-13 2 -6.32081507e+04-1.31763334e+02 1.43591871e-01 1.13347482e-01-8.76604321e-05 3 3.76206617e-08-7.06240271e-12-5.24747580e+04 3.64845738e+01 4 C8KET7-3-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1396.00 1 3.16344564e+01 3.65297138e-02-1.25409935e-05 1.95189144e-09-1.13441436e-13 2 -6.32081507e+04-1.31763334e+02 1.43591871e-01 1.13347482e-01-8.76604321e-05 3 3.76206617e-08-7.06240271e-12-5.24747580e+04 3.64845738e+01 4 C8KET7-4-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1396.00 1 3.16344564e+01 3.65297138e-02-1.25409935e-05 1.95189144e-09-1.13441436e-13 2 -6.32081507e+04-1.31763334e+02 1.43591871e-01 1.13347482e-01-8.76604321e-05 3 3.76206617e-08-7.06240271e-12-5.24747580e+04 3.64845738e+01 4 C8KET7-5-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1396.00 1 3.16344564e+01 3.65297138e-02-1.25409935e-05 1.95189144e-09-1.13441436e-13 2 -6.32081507e+04-1.31763334e+02 1.43591871e-01 1.13347482e-01-8.76604321e-05 3 3.76206617e-08-7.06240271e-12-5.24747580e+04 3.64845738e+01 4 C8KET7-6-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1396.00 1 3.16344564e+01 3.65297138e-02-1.25409935e-05 1.95189144e-09-1.13441436e-13 2 -6.32081507e+04-1.31763334e+02 1.43591871e-01 1.13347482e-01-8.76604321e-05 3 3.76206617e-08-7.06240271e-12-5.24747580e+04 3.64845738e+01 4 C8KET3-1-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1392.00 1 3.08324256e+01 3.73450130e-02-1.28511000e-05 2.00323907e-09-1.16548241e-13 2 -6.51511199e+04-1.26292797e+02 1.00273760e+00 1.08994642e-01-8.27065330e-05 3 3.56758123e-08-6.87445808e-12-5.47817655e+04 3.36402086e+01 4 C8KET4-1-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1392.00 1 3.08324256e+01 3.73450130e-02-1.28511000e-05 2.00323907e-09-1.16548241e-13 2 -6.51511199e+04-1.26292797e+02 1.00273760e+00 1.08994642e-01-8.27065330e-05 3 3.56758123e-08-6.87445808e-12-5.47817655e+04 3.36402086e+01 4 C8KET5-1-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1392.00 1 3.08324256e+01 3.73450130e-02-1.28511000e-05 2.00323907e-09-1.16548241e-13 2 -6.51511199e+04-1.26292797e+02 1.00273760e+00 1.08994642e-01-8.27065330e-05 3 3.56758123e-08-6.87445808e-12-5.47817655e+04 3.36402086e+01 4 C8KET3-7-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1392.00 1 3.08324256e+01 3.73450130e-02-1.28511000e-05 2.00323907e-09-1.16548241e-13 2 -6.51511199e+04-1.26292797e+02 1.00273760e+00 1.08994642e-01-8.27065330e-05 3 3.56758123e-08-6.87445808e-12-5.47817655e+04 3.36402086e+01 4 C8KET4-7-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1392.00 1 3.08324256e+01 3.73450130e-02-1.28511000e-05 2.00323907e-09-1.16548241e-13 2 -6.51511199e+04-1.26292797e+02 1.00273760e+00 1.08994642e-01-8.27065330e-05 3 3.56758123e-08-6.87445808e-12-5.47817655e+04 3.36402086e+01 4 C8KET5-7-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1392.00 1 3.08324256e+01 3.73450130e-02-1.28511000e-05 2.00323907e-09-1.16548241e-13 2 -6.51511199e+04-1.26292797e+02 1.00273760e+00 1.08994642e-01-8.27065330e-05 3 3.56758123e-08-6.87445808e-12-5.47817655e+04 3.36402086e+01 4 C8KET6-7-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1392.00 1 3.08324256e+01 3.73450130e-02-1.28511000e-05 2.00323907e-09-1.16548241e-13 2 -6.51511199e+04-1.26292797e+02 1.00273760e+00 1.08994642e-01-8.27065330e-05 3 3.56758123e-08-6.87445808e-12-5.47817655e+04 3.36402086e+01 4 C8KET3-4-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET3-5-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET3-6-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET4-3-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET4-5-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET4-6-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET5-3-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET5-4-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET5-6-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET6-3-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET6-4-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET6-5-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1397.00 1 3.24431849e+01 3.59019434e-02-1.23383027e-05 1.92175875e-09-1.11749823e-13 2 -6.63879788e+04-1.38219196e+02-2.56952187e+00 1.25904616e-01-1.05577566e-04 3 4.84237021e-08-9.44210204e-12-5.49142546e+04 4.72186463e+01 4 C8KET3-2-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.11476352e+01 3.67271931e-02-1.25606556e-05 1.94985804e-09-1.13114764e-13 2 -6.81254177e+04-1.30631471e+02 1.45956642e+00 1.10680239e-01-8.76554742e-05 3 3.93661091e-08-7.74819376e-12-5.80712900e+04 2.76036429e+01 4 C8KET4-2-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.11476352e+01 3.67271931e-02-1.25606556e-05 1.94985804e-09-1.13114764e-13 2 -6.81254177e+04-1.30631471e+02 1.45956642e+00 1.10680239e-01-8.76554742e-05 3 3.93661091e-08-7.74819376e-12-5.80712900e+04 2.76036429e+01 4 C8KET5-2-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.11476352e+01 3.67271931e-02-1.25606556e-05 1.94985804e-09-1.13114764e-13 2 -6.81254177e+04-1.30631471e+02 1.45956642e+00 1.10680239e-01-8.76554742e-05 3 3.93661091e-08-7.74819376e-12-5.80712900e+04 2.76036429e+01 4 C8KET6-2-2 5/5 THERMC 8H 16O 3 0G 300.0000 5000.0000 1393.00 1 3.11476352e+01 3.67271931e-02-1.25606556e-05 1.94985804e-09-1.13114764e-13 2 -6.81254177e+04-1.30631471e+02 1.45956642e+00 1.10680239e-01-8.76554742e-05 3 3.93661091e-08-7.74819376e-12-5.80712900e+04 2.76036429e+01 4 NC8H17COC3H6P 6/30/ 7 TC 12H 23O 1 0G 300.0000 5000.0000 1387.00 1 3.80562887e+01 5.24410245e-02-1.79692792e-05 2.79327669e-09-1.62203616e-13 2 -4.30304750e+04-1.62492680e+02-8.67244526e-02 1.41651721e-01-1.03184899e-04 3 4.37324531e-08-8.50985990e-12-2.94517061e+04 4.30117003e+01 4 NC7H15COC3H6P 6/30/ 7 TC 11H 21O 1 0G 300.0000 5000.0000 1386.00 1 3.49083552e+01 4.79102428e-02-1.64093829e-05 2.55007243e-09-1.48053189e-13 2 -3.89406400e+04-1.47016583e+02 1.72619849e-01 1.29126751e-01-9.40683984e-05 3 3.99622789e-08-7.80549921e-12-2.65646517e+04 4.01542167e+01 4 NC6H13COC3H6P 6/30/ 7 TC 10H 19O 1 0G 300.0000 5000.0000 1385.00 1 3.17683863e+01 4.33663974e-02-1.48437685e-05 2.30586334e-09-1.33840138e-13 2 -3.48538786e+04-1.31584905e+02 4.39339888e-01 1.16557613e-01-8.48602404e-05 3 3.61147124e-08-7.07886320e-12-2.36785015e+04 3.72644405e+01 4 NC5H11COC3H6P 6/30/ 7 TC 9H 17O 1 0G 300.0000 5000.0000 1384.00 1 2.86428785e+01 3.87988606e-02-1.32678075e-05 2.05983952e-09-1.19514158e-13 2 -3.07726954e+04-1.16233924e+02 7.15922297e-01 1.03928422e-01-7.55260166e-05 3 3.21601308e-08-6.32155209e-12-2.07935405e+04 3.43316550e+01 4 NC4H9COC3H6P 6/30/ 7 THC 8H 15O 1 0G 300.0000 5000.0000 1383.00 1 2.54583317e+01 3.43402731e-02-1.17414395e-05 1.82273018e-09-1.05752320e-13 2 -2.66729974e+04-1.00561514e+02 1.02385184e+00 9.12073495e-02-6.61603451e-05 3 2.82736642e-08-5.59877182e-12-1.79142357e+04 3.12457370e+01 4 NC3H7COC3H6P 6/30/ 7 THC 7H 13O 1 0G 300.0000 5000.0000 1381.00 1 2.25119200e+01 2.94746899e-02-1.00348912e-05 1.55377231e-09-8.99981839e-14 2 -2.26589563e+04-8.62074176e+01 1.32054541e+00 7.83648988e-02-5.62350458e-05 3 2.37406755e-08-4.66775338e-12-1.50299591e+04 2.82404248e+01 4 NC5H11CHCO 7/ 4/ 7 THERC 7H 12O 1 0G 300.0000 5000.0000 1402.00 1 2.23378086e+01 2.58913747e-02-8.46373828e-06 1.27516894e-09-7.24725176e-14 2 -1.89650149e+04-1.11749662e+02-4.16158481e+00 9.72080095e-02-8.42032702e-05 3 3.89370222e-08-7.42319982e-12-1.07433897e+04 2.72110219e+01 4 NC6H13CHCO 7/ 4/ 7 THERC 8H 14O 1 0G 300.0000 5000.0000 1401.00 1 2.55063371e+01 3.00694197e-02-9.83292784e-06 1.48180364e-09-8.42301329e-14 2 -2.30091684e+04-1.27195953e+02-5.10232805e+00 1.12686202e-01-9.79920629e-05 3 4.55832978e-08-8.74661821e-12-1.35226561e+04 3.32538295e+01 4 NC7H15CHCO 7/ 4/ 7 THERC 9H 16O 1 0G 300.0000 5000.0000 1398.00 1 2.86422822e+01 3.44833290e-02-1.13268686e-05 1.71223288e-09-9.75422355e-14 2 -2.70696424e+04-1.42518145e+02-4.64379402e+00 1.22177798e-01-1.02857590e-04 3 4.67774400e-08-8.88162092e-12-1.65216637e+04 3.27582011e+01 4 NC8H17CHCO 1/29/ 7 THERC 10H 18O 1 0G 300.0000 5000.0000 1387.00 1 3.39926317e+01 3.85982977e-02-1.30327867e-05 2.00976367e-09-1.16185162e-13 2 -4.35878426e+04-1.46940152e+02-1.28760607e+00 1.24041290e-01-9.59252392e-05 3 4.11829415e-08-7.75969929e-12-3.15108742e+04 4.17627583e+01 4 IC6H13CHO 4/13/10 THERMC 7H 14O 1 0G 300.0000 5000.0000 1386.00 1 2.33243280e+01 3.13719313e-02-1.06938097e-05 1.65677421e-09-9.59922105e-14 2 -4.50796877e+04-9.45603521e+01-5.00570268e-02 8.49658246e-02-5.98086440e-05 3 2.39489514e-08-4.40745835e-12-3.67256550e+04 3.16209147e+01 4 IC6H13CO 4/13/10 THERMC 7H 13O 1 0G 300.0000 5000.0000 1385.00 1 2.29147010e+01 2.92273796e-02-9.96637606e-06 1.54451281e-09-8.95076469e-14 2 -2.61204390e+04-9.06914796e+01 7.45554160e-01 7.99959150e-02-5.63372979e-05 3 2.24848425e-08-4.11943227e-12-1.81991804e+04 2.89913311e+01 4 IC7H15CHO 4/13/10 THERMC 8H 16O 1 0G 300.0000 5000.0000 1387.00 1 2.64545442e+01 3.59288823e-02-1.22646929e-05 1.90185967e-09-1.10257750e-13 2 -4.91617760e+04-1.09935612e+02-3.25811322e-01 9.75870832e-02-6.91209321e-05 3 2.78805842e-08-5.15755774e-12-3.96106625e+04 3.45505596e+01 4 IC7H15CO 4/13/10 THERMC 8H 15O 1 0G 300.0000 5000.0000 1387.00 1 2.60399049e+01 3.37941476e-02-1.15417375e-05 1.79040050e-09-1.03823753e-13 2 -3.02011791e+04-1.06039919e+02 4.75463092e-01 9.25810136e-02-6.55707593e-05 3 2.63472824e-08-4.84806904e-12-2.10848402e+04 3.18965510e+01 4 IC6H13COCH2 4/10 THERMC 8H 15O 1 0G 300.0000 5000.0000 1387.00 1 2.54799342e+01 3.46510281e-02-1.19176877e-05 1.85714397e-09-1.08026552e-13 2 -2.78343094e+04-1.02532826e+02 1.09352245e-01 9.28662539e-02-6.60428683e-05 3 2.71535056e-08-5.17358330e-12-1.87057926e+04 3.45260203e+01 4 IC7H15COCH2 4/10 THERMC 9H 17O 1 0G 300.0000 5000.0000 1387.00 1 2.86416806e+01 3.91512798e-02-1.34632659e-05 2.09774764e-09-1.22011648e-13 2 -3.19284920e+04-1.18083390e+02-1.41672285e-01 1.05341664e-01-7.50941724e-05 3 3.08963877e-08-5.87781011e-12-2.15936453e+04 3.73482263e+01 4 IC8H17COCH2 4/10 THERMC 10H 19O 1 0G 300.0000 5000.0000 1388.00 1 3.18059152e+01 4.36496001e-02-1.50082304e-05 2.33826200e-09-1.35991835e-13 2 -3.60239406e+04-1.33648481e+02-3.83401114e-01 1.17757732e-01-8.40040162e-05 3 3.45059708e-08-6.53953022e-12-2.44826411e+04 4.01299590e+01 4 IC4H9COC2H4P 4/10 THERMC 7H 13O 1 0G 300.0000 5000.0000 1380.00 1 2.29479936e+01 2.89007837e-02-9.79874927e-06 1.51345412e-09-8.75263226e-14 2 -2.39699743e+04-9.00678985e+01 5.78453395e-01 8.12773503e-02-5.97054747e-05 3 2.53803463e-08-4.93807195e-12-1.60379361e+04 3.03917386e+01 4 IC5H11COC2H4P 4/10 THERMC 8H 15O 1 0G 300.0000 5000.0000 1383.00 1 2.59055373e+01 3.37261362e-02-1.14834110e-05 1.77807807e-09-1.02988621e-13 2 -2.79808264e+04-1.04468819e+02 2.47980383e-01 9.42178282e-02-6.96556075e-05 3 2.98211248e-08-5.82081331e-12-1.89161235e+04 3.35620948e+01 4 IC6H13COC2H4P 4/10 THERMC 9H 17O 1 0G 300.0000 5000.0000 1385.00 1 2.89690481e+01 3.83906963e-02-1.31007970e-05 2.03125656e-09-1.17754819e-13 2 -3.20368830e+04-1.19470773e+02-5.06835296e-02 1.06968103e-01-7.92194808e-05 3 3.39503662e-08-6.62128098e-12-2.17981783e+04 3.65933410e+01 4 IC7H15COC2H4P 4/10 THERMC 10H 19O 1 0G 300.0000 5000.0000 1386.00 1 3.20748690e+01 4.29892033e-02-1.46900251e-05 2.27957739e-09-1.32222392e-13 2 -3.61101070e+04-1.34711017e+02-3.36604197e-01 1.19649854e-01-8.86563424e-05 3 3.79862034e-08-7.40009683e-12-2.46819345e+04 3.95675493e+01 4 IC8H17COC2H4P 4/10 THERMC 11H 21O 1 0G 300.0000 5000.0000 1386.00 1 3.52019649e+01 4.75537628e-02-1.62646084e-05 2.52535048e-09-1.46532359e-13 2 -4.01914666e+04-1.50070242e+02-6.19569158e-01 1.32325651e-01-9.81008944e-05 3 4.20442094e-08-8.19051349e-12-2.75662761e+04 4.25268667e+01 4 IC3H7COC3H6P 4/10 THERMC 7H 13O 1 0G 300.0000 5000.0000 1389.00 1 2.23110688e+01 3.02951617e-02-1.04510709e-05 1.63178724e-09-9.50438504e-14 2 -2.36644738e+04-8.68470044e+01-5.00956247e-01 8.41761778e-02-6.26219225e-05 3 2.70194516e-08-5.30930351e-12-1.55857035e+04 3.58890296e+01 4 IC4H9COC3H6P 4/10 THERMC 8H 15O 1 0G 300.0000 5000.0000 1383.00 1 2.59055373e+01 3.37261362e-02-1.14834110e-05 1.77807807e-09-1.02988621e-13 2 -2.79808264e+04-1.04468819e+02 2.47980383e-01 9.42178282e-02-6.96556075e-05 3 2.98211248e-08-5.82081331e-12-1.89161235e+04 3.35620948e+01 4 IC5H11COC3H6P 4/10 THERMC 9H 17O 1 0G 300.0000 5000.0000 1385.00 1 2.89690481e+01 3.83906963e-02-1.31007970e-05 2.03125656e-09-1.17754819e-13 2 -3.20368830e+04-1.19470773e+02-5.06835296e-02 1.06968103e-01-7.92194808e-05 3 3.39503662e-08-6.62128098e-12-2.17981783e+04 3.65933410e+01 4 IC6H13COC3H6P 4/10 THERMC 10H 19O 1 0G 300.0000 5000.0000 1386.00 1 3.20748690e+01 4.29892033e-02-1.46900251e-05 2.27957739e-09-1.32222392e-13 2 -3.61101070e+04-1.34711017e+02-3.36604197e-01 1.19649854e-01-8.86563424e-05 3 3.79862034e-08-7.40009683e-12-2.46819345e+04 3.95675493e+01 4 IC7H15COC3H6P 4/10 THERMC 11H 21O 1 0G 300.0000 5000.0000 1386.00 1 3.52019649e+01 4.75537628e-02-1.62646084e-05 2.52535048e-09-1.46532359e-13 2 -4.01914666e+04-1.50070242e+02-6.19569158e-01 1.32325651e-01-9.81008944e-05 3 4.20442094e-08-8.19051349e-12-2.75662761e+04 4.25268667e+01 4 IC8H17COC3H6P 4/10 THERMC 12H 23O 1 0G 300.0000 5000.0000 1387.00 1 3.83415450e+01 5.20979051e-02-1.78302877e-05 2.76956356e-09-1.60745327e-13 2 -4.42780159e+04-1.65499561e+02-8.85018677e-01 1.44884433e-01-1.07282894e-04 3 4.58663710e-08-8.90892183e-12-3.04525300e+04 4.54115355e+01 4 IC3H7CHCO 4/14/10 THERMC 5H 8O 1 0G 300.0000 5000.0000 1403.00 1 1.27999036e+01 1.88236143e-02-7.67164267e-06 1.48889832e-09-1.02670858e-13 2 -2.62154050e+04-4.30575134e+01-1.12636671e-01 5.26185815e-02-4.34686829e-05 3 1.97146218e-08-3.81196546e-12-2.20286465e+04 2.51439563e+01 4 C8H15-1-2 5/10/5 THERMC 8H 15 0 0G 300.0000 5000.0000 1390.00 1 2.31626925e+01 3.42351265e-02-1.17154296e-05 1.81936024e-09-1.05572316e-13 2 4.22302628e+03-9.37446435e+01-5.00621988e-01 8.77218550e-02-6.00723013e-05 3 2.35924501e-08-4.31856621e-12 1.27859121e+04 3.43171431e+01 4 IC5H11COCH2 4/10 THERMC 7H 13O 1 0G 300.0000 5000.0000 1385.00 1 2.23906284e+01 3.00220570e-02-1.03138097e-05 1.60606857e-09-9.33785957e-14 2 -2.37653352e+04-8.73833242e+01 3.16600712e-01 8.04983673e-02-5.70205833e-05 3 2.33451954e-08-4.44082402e-12-1.58092953e+04 3.19229850e+01 4 CHX 3/17/ 6 THERMC 6H 12 0 0G 300.0000 5000.0000 1373.00 1 1.90854159e+01 2.83866516e-02-9.99547753e-06 1.58256182e-09-9.30877430e-14 2 -2.60677708e+04-8.98102675e+01-8.15334204e+00 8.32702977e-02-4.94178388e-05 3 1.37612058e-08-1.59068212e-12-1.57466886e+04 5.96091629e+01 4 CHXRAD 3/23/ 6 C 6H 11 0 0G 300.0000 5000.0000 1674.00 1 1.46798830e+01 3.09324453e-02-1.12934485e-05 1.83887582e-09-1.10464203e-13 2 -2.24599771e+02-5.97408703e+01-7.11339452e+00 7.36220481e-02-3.60925278e-05 3 4.34870931e-09 9.14793473e-13 7.59811840e+03 5.93772148e+01 4 CHXOJ 5/ 8/ 6 THERMC 6H 11O 1 0G 300.0000 5000.0000 1380.00 1 2.12622471e+01 2.66264713e-02-9.40815368e-06 1.49296929e-09-8.79559265e-14 2 -2.06876416e+04-9.63049340e+01-7.83070513e+00 8.95659593e-02-6.04758075e-05 3 2.06358270e-08-3.07110651e-12-1.01043223e+04 6.17377213e+01 4 CHXO2H 4/25/ 6 THERMC 6H 12O 2 0G 300.0000 5000.0000 1381.00 1 2.48396579e+01 2.78374481e-02-9.82753339e-06 1.55868946e-09-9.17957894e-14 2 -4.04122000e+04-1.12755506e+02-6.24948507e+00 9.49596571e-02-6.36590281e-05 3 2.11502010e-08-2.98991302e-12-2.91276378e+04 5.61087307e+01 4 CHXO2J 4/25/ 6 THERMC 6H 11O 2 0G 300.0000 5000.0000 1379.00 1 2.23723502e+01 2.76799389e-02-9.74217376e-06 1.54194767e-09-9.06767646e-14 2 -2.24942935e+04-9.84267069e+01-5.25265221e+00 8.60285135e-02-5.54584152e-05 3 1.79331627e-08-2.54779280e-12-1.22849202e+04 5.21763111e+01 4 CHX1Q2J 4/25/ 6 THERMC 6H 11O 2 0G 300.0000 5000.0000 1674.00 1 2.08646979e+01 2.96341739e-02-1.07902024e-05 1.75531891e-09-1.05423919e-13 2 -1.47226530e+04-8.61661454e+01-5.51417603e+00 8.63954298e-02-5.14368665e-05 3 1.20445340e-08-4.87851475e-13-5.73102087e+03 5.62385607e+01 4 CHX1Q3J 4/25/ 6 THERMC 6H 11O 2 0G 300.0000 5000.0000 1674.00 1 2.08646979e+01 2.96341739e-02-1.07902024e-05 1.75531891e-09-1.05423919e-13 2 -1.47226530e+04-8.61661454e+01-5.51417603e+00 8.63954298e-02-5.14368665e-05 3 1.20445340e-08-4.87851475e-13-5.73102087e+03 5.62385607e+01 4 CHX1Q4J 4/25/ 6 C 6H 11O 2 0G 300.0000 5000.0000 1674.00 1 2.08646979e+01 2.96341739e-02-1.07902024e-05 1.75531891e-09-1.05423919e-13 2 -1.47226530e+04-8.68606598e+01-5.51417603e+00 8.63954298e-02-5.14368665e-05 3 1.20445340e-08-4.87851475e-13-5.73102087e+03 5.55440463e+01 4 CYHX1N3J 5/ 8/ 6 THERMC 6H 9 0 0G 300.0000 5000.0000 1381.00 1 1.66727417e+01 2.27088190e-02-8.01509353e-06 1.27088484e-09-7.48275111e-14 2 8.05281790e+03-7.23434145e+01-6.70957680e+00 7.54823857e-02-5.49749056e-05 3 2.17767888e-08-3.90910787e-12 1.64529955e+04 5.41074093e+01 4 CYHX1N4J 5/ 8/ 6 THERMC 6H 9 0 0G 300.0000 5000.0000 1382.00 1 1.55947506e+01 2.30137073e-02-7.98424736e-06 1.25183337e-09-7.31399590e-14 2 1.40627765e+04-6.15477262e+01-5.27025499e+00 6.81757992e-02-4.49987918e-05 3 1.54998764e-08-2.39287760e-12 2.16822961e+04 5.18461060e+01 4 CYHX13ENE 5/ 8/ 6 THERMC 6H 8 0 0G 300.0000 5000.0000 1391.00 1 1.57655741e+01 2.05288746e-02-7.17037109e-06 1.12907526e-09-6.61583621e-14 2 4.37837864e+03-6.44355831e+01-5.90552167e+00 7.33331795e-02-5.86691750e-05 3 2.55103112e-08-4.80891617e-12 1.17597310e+04 5.13518061e+01 4 CYHX14ENE 5/ 8/ 6 THERMC 6H 8 0 0G 300.0000 5000.0000 1370.00 1 1.90497468e+01 1.84764147e-02-6.63476235e-06 1.06416757e-09-6.31589406e-14 2 2.98895479e+03-8.65070868e+01-6.49703330e+00 7.48585044e-02-5.38107161e-05 3 1.95547547e-08-3.09997705e-12 1.21584107e+04 5.18609114e+01 4 CYHX1N3OJ 5/ 2/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1390.00 1 1.98614061e+01 2.13541604e-02-7.29767436e-06 1.13391847e-09-6.58739166e-14 2 -4.23054942e+03-8.48286559e+01-7.44141021e+00 9.01961039e-02-7.57242675e-05 3 3.33627648e-08-6.15609712e-12 4.71416348e+03 6.00088955e+01 4 CYHX1N4OJ 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1391.00 1 1.86955890e+01 2.32054938e-02-8.10991067e-06 1.27749802e-09-7.48744708e-14 2 -4.41118171e+03-7.82409499e+01-6.47876958e+00 8.55654814e-02-7.01886353e-05 3 3.12613398e-08-5.99205626e-12 4.06979429e+03 5.59186384e+01 4 C6H12-16 5/ 8/ 6 THERMC 6H 12 0 0G 300.0000 5000.0000 1390.00 1 1.81148707e+01 2.61733646e-02-8.92675961e-06 1.38322932e-09-8.01427807e-14 2 1.99859678e+04-6.57068820e+01 2.29880028e-01 6.61822441e-02-4.43647716e-05 3 1.68889660e-08-3.00005695e-12 2.64793099e+04 3.11945839e+01 4 HEX5ENAL 4/25/ 6 THERMC 6H 10O 1 0G 300.0000 5000.0000 1383.00 1 1.90412958e+01 2.30050599e-02-7.78788634e-06 1.20152256e-09-6.94292715e-14 2 -2.38896369e+04-7.04197089e+01 7.01916253e-01 6.55701781e-02-4.72054188e-05 3 1.91740486e-08-3.53448903e-12-1.74080553e+04 2.83619129e+01 4 HX5ENAL1J 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1381.00 1 1.86755649e+01 2.07953787e-02-7.03344647e-06 1.08469274e-09-6.26679896e-14 2 -4.94942029e+03-6.68007062e+01 1.50692540e+00 6.05393017e-02-4.36031573e-05 3 1.76023909e-08-3.21820804e-12 1.11736922e+03 2.56920346e+01 4 HX5ENAL4J 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1371.00 1 1.82743378e+01 2.08902400e-02-7.01791204e-06 1.07770371e-09-6.20902691e-14 2 -1.22689658e+02-6.29573888e+01 2.34563561e+00 5.37575485e-02-3.17148546e-05 3 9.37201553e-09-1.21840906e-12 5.83490700e+03 2.41465028e+01 4 HXEN6AL1J 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1382.00 1 1.89969553e+01 2.04806108e-02-6.91640220e-06 1.06559751e-09-6.15243667e-14 2 6.18982602e+03-6.83108949e+01 1.64714538e+00 6.18870230e-02-4.66664228e-05 3 1.98445369e-08-3.76830350e-12 1.22111825e+04 2.47446334e+01 4 HXEN4AL6J 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1384.00 1 1.87405515e+01 2.18452388e-02-7.62797487e-06 1.20077764e-09-7.03414372e-14 2 -2.52449898e+03-6.91412176e+01-4.80125819e-01 6.80754323e-02-5.35748594e-05 3 2.41934679e-08-4.89624187e-12 4.21372565e+03 3.40075595e+01 4 HX2ENAL6J 5/10/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1393.00 1 1.92420866e+01 2.09983928e-02-7.24163118e-06 1.13057295e-09-6.58504427e-14 2 -3.52587650e+03-7.12098298e+01-6.79723675e-01 7.18127741e-02-5.99654597e-05 3 2.77486020e-08-5.51142835e-12 3.08486207e+03 3.45208233e+01 4 HX1N5AL6J 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1388.00 1 1.94035681e+01 2.10347008e-02-7.29302457e-06 1.14268159e-09-6.67220322e-14 2 -6.33404918e+03-7.18614335e+01 3.17699716e-01 6.82148796e-02-5.50876608e-05 3 2.50922391e-08-5.01446372e-12 1.86622321e+02 3.00333796e+01 4 C2H2OOH 4/25/ 6 THERMC 2H 3O 2 0G 300.0000 5000.0000 1398.00 1 1.14545496e+01 5.70488492e-03-2.00315570e-06 3.16596832e-10-1.86008264e-14 2 2.12601407e+04-3.18471872e+01 2.15455533e+00 3.10934670e-02-2.95648686e-05 3 1.43905696e-08-2.84087569e-12 2.41282332e+04 1.68280699e+01 4 PENT13N1J 5/11/ 6 THERMC 5H 7 0 0G 300.0000 5000.0000 1396.00 1 1.37799432e+01 1.61235645e-02-5.51874768e-06 8.57066004e-10-4.97310947e-14 2 3.24688076e+04-4.73242295e+01-6.48146649e-01 5.59568824e-02-5.07875119e-05 3 2.56062817e-08-5.39221628e-12 3.70147982e+04 2.82865199e+01 4 HX13EN6J 5/ 8/ 6 THERMC 6H 9 0 0G 300.0000 5000.0000 1396.00 1 1.68074195e+01 2.07564097e-02-7.11451275e-06 1.10599459e-09-6.42216767e-14 2 2.33292060e+04-6.11248155e+01-2.04281981e+00 7.15512305e-02-6.32310051e-05 3 3.10241250e-08-6.40783238e-12 2.93586213e+04 3.80393072e+01 4 HX1EN3Q6J 5/ 2/ 6 THERMC 6H 11O 2 0G 300.0000 5000.0000 1396.00 1 2.29621804e+01 2.45073062e-02-8.42387770e-06 1.31216438e-09-7.63041232e-14 2 -3.44865350e+03-8.69608628e+01 9.71984679e-01 7.95406319e-02-6.40104086e-05 3 2.85629534e-08-5.51234785e-12 3.92371982e+03 3.00646503e+01 4 HX1EN1Q6J 4/25/ 6 THERMC 6H 11O 2 0G 300.0000 5000.0000 1393.00 1 2.35278687e+01 2.41989322e-02-8.35736494e-06 1.30607610e-09-7.61278606e-14 2 -1.51435008e+03-9.02703994e+01 4.99287726e-01 8.07323413e-02-6.40151561e-05 3 2.78921691e-08-5.27745322e-12 6.29275966e+03 3.26296826e+01 4 HX1EN6Q6J 4/25/ 6 THERMC 6H 11O 2 0G 300.0000 5000.0000 1388.00 1 2.29636838e+01 2.47062323e-02-8.53788296e-06 1.33477310e-09-7.78180317e-14 2 -4.35779738e+03-8.55032286e+01 3.49516848e+00 6.77232952e-02-4.56304023e-05 3 1.69185732e-08-2.89348499e-12 2.73067567e+03 2.01080888e+01 4 CHXYO12 3/17/ 6 THERMC 6H 10O 1 0G 300.0000 5000.0000 1418.00 1 1.73751120e+01 2.59901450e-02-8.87921027e-06 1.37801789e-09-7.99471044e-14 2 -1.36028740e+04-8.13928749e+01-1.23134232e+01 9.81298700e-02-7.57510060e-05 3 2.97145120e-08-4.76409714e-12-3.74631945e+03 7.67965887e+01 4 CHXYO13 3/17/ 6 THERMC 6H 10O 1 0G 300.0000 5000.0000 1414.00 1 1.70432456e+01 2.65572035e-02-9.13811564e-06 1.42504394e-09-8.29535921e-14 2 -1.46702997e+04-8.14833148e+01-1.40434659e+01 1.00782485e-01-7.64131239e-05 3 2.91922582e-08-4.55075702e-12-4.21731772e+03 8.46231451e+01 4 CHXYO14 3/20/ 6 THERMC 6H 10O 1 0G 300.0000 5000.0000 1411.00 1 1.68952847e+01 2.69495435e-02-9.33313354e-06 1.46175740e-09-8.53469637e-14 2 -2.49915710e+04-8.23301667e+01-1.58368122e+01 1.04247548e-01-7.83667724e-05 3 2.94438407e-08-4.50080448e-12-1.39004251e+04 9.28706773e+01 4 CHX1*O2J 5/31/13 C 6H 9O 1 0G 300.0000 5000.0000 1362.00 1 1.36535694e+01 3.77706328e-02-1.56205609e-05 2.73117020e-09-1.71548936e-13 2 -1.52204644e+04-5.48776669e+01 1.90596535e+01-3.23963479e-02 9.70776940e-05 3 -5.78420577e-08 9.75049423e-12-9.60522488e+03-6.03762276e+01 4 CHX1*O3J 3/17/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 2033.00 1 1.48914089e+01 2.85901513e-02-1.05637191e-05 1.73257707e-09-1.04567694e-13 2 -1.34330789e+04-5.58567262e+01-5.20362991e+00 7.14951965e-02-4.30472496e-05 3 1.21123693e-08-1.28066099e-12-6.42253487e+03 5.30655919e+01 4 CHX1*O4J 3/23/ 6 C 6H 9O 1 0G 300.0000 5000.0000 2033.00 1 1.48914089e+01 2.85901513e-02-1.05637191e-05 1.73257707e-09-1.04567694e-13 2 -1.34330789e+04-5.65512405e+01-5.20362991e+00 7.14951965e-02-4.30472496e-05 3 1.21123693e-08-1.28066099e-12-6.42253487e+03 5.23710776e+01 4 BT1EN3Q4J 5/ 2/ 6 THERMC 4H 7O 2 0G 300.0000 5000.0000 1398.00 1 1.66445575e+01 1.55066015e-02-5.33369779e-06 8.31217435e-10-4.83534379e-14 2 4.73458255e+03-5.59007699e+01 1.41189800e+00 5.48698049e-02-4.63650257e-05 3 2.14094243e-08-4.19272963e-12 9.70893447e+03 2.47083567e+01 4 BT1EN1Q4J 4/25/ 6 THERMC 4H 7O 2 0G 300.0000 5000.0000 1394.00 1 1.71928685e+01 1.52139032e-02-5.27269512e-06 8.25992011e-10-4.82272796e-14 2 6.67726534e+03-5.91071999e+01 9.91385395e-01 5.58131618e-02-4.59884405e-05 3 2.04874811e-08-3.89710943e-12 1.20705514e+04 2.70352558e+01 4 BT1EN4Q4J 4/25/ 6 THERMC 4H 7O 2 0G 300.0000 5000.0000 1386.00 1 1.67257459e+01 1.56372401e-02-5.42425411e-06 8.50196338e-10-4.96578322e-14 2 3.78531650e+03-5.49209632e+01 3.89731958e+00 4.30799810e-02-2.77151966e-05 3 9.43175781e-09-1.46821948e-12 8.52414799e+03 1.49494785e+01 4 BT1N3*O4J 4/25/ 6 THERMC 4H 5O 1 0G 300.0000 5000.0000 1389.00 1 1.38636636e+01 1.14896960e-02-4.04187496e-06 6.39482961e-10-3.75946842e-14 2 -3.59666596e+02-4.67119860e+01-2.87768060e-02 4.68727205e-02-4.05160366e-05 3 1.88755231e-08-3.73254694e-12 4.23665935e+03 2.70051901e+01 4 CHX1Q2QJ 4/25/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1386.00 1 2.81643825e+01 2.70787755e-02-9.55221198e-06 1.51423647e-09-8.91457979e-14 2 -3.68646209e+04-1.23404173e+02-3.63427383e+00 9.88214812e-02-7.12488908e-05 3 2.62753970e-08-4.16593223e-12-2.56178947e+04 4.82426192e+01 4 CHX1Q3QJ 4/25/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1386.00 1 2.81643825e+01 2.70787755e-02-9.55221198e-06 1.51423647e-09-8.91457979e-14 2 -3.68646209e+04-1.23404173e+02-3.63427383e+00 9.88214812e-02-7.12488908e-05 3 2.62753970e-08-4.16593223e-12-2.56178947e+04 4.82426192e+01 4 CHX1Q4QJ 4/25/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1386.00 1 2.81643825e+01 2.70787755e-02-9.55221198e-06 1.51423647e-09-8.91457979e-14 2 -3.68646209e+04-1.23404173e+02-3.63427383e+00 9.88214812e-02-7.12488908e-05 3 2.62753970e-08-4.16593223e-12-2.56178947e+04 4.82426192e+01 4 HX1N3*O6J 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1387.00 1 1.83671859e+01 2.19412344e-02-7.61003403e-06 1.19249056e-09-6.96315700e-14 2 -4.63315678e+03-6.59623049e+01 5.95356589e-01 6.57546074e-02-5.26751739e-05 3 2.44921440e-08-5.06089705e-12 1.52173336e+03 2.90881770e+01 4 CHX1*O2Q 4/25/ 6 THERMC 6H 10O 3 0G 300.0000 5000.0000 1381.00 1 2.65003458e+01 2.41045942e-02-8.59208816e-06 1.37146122e-09-8.11269335e-14 2 -5.31748168e+04-1.18643886e+02-6.73926851e+00 1.01545098e-01-7.86300573e-05 3 3.14687109e-08-5.41531736e-12-4.16373569e+04 5.99659413e+01 4 CHX1*O3Q 4/25/ 6 THERMC 6H 10O 3 0G 300.0000 5000.0000 1375.00 1 2.52486424e+01 2.51552832e-02-8.95050866e-06 1.42688704e-09-8.43298127e-14 2 -5.37464683e+04-1.10734215e+02-4.07473762e+00 9.00273000e-02-6.43735184e-05 3 2.42244299e-08-4.10065955e-12-4.31493724e+04 4.81898516e+01 4 CHX1*O4Q 4/25/ 6 THERMC 6H 10O 3 0G 300.0000 5000.0000 1375.00 1 2.52486424e+01 2.51552832e-02-8.95050866e-06 1.42688704e-09-8.43298127e-14 2 -5.37464683e+04-1.11428730e+02-4.07473762e+00 9.00273000e-02-6.43735184e-05 3 2.42244299e-08-4.10065955e-12-4.31493724e+04 4.74953372e+01 4 CHX1*O2OJ 5/17/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1377.00 1 2.22641163e+01 2.34545183e-02-8.36655993e-06 1.33604348e-09-7.90533956e-14 2 -3.36377943e+04-9.81289460e+01-7.47459085e+00 9.05744024e-02-6.69252273e-05 3 2.57530882e-08-4.36318153e-12-2.30613715e+04 6.25056721e+01 4 CHX1*O3OJ 5/17/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1375.00 1 2.16986711e+01 2.38614849e-02-8.48934175e-06 1.35326438e-09-7.99739026e-14 2 -3.40155873e+04-9.44021861e+01-5.73769825e+00 8.50043808e-02-6.16416701e-05 3 2.38617513e-08-4.18052431e-12-2.41144827e+04 5.41927237e+01 4 CHX1*O4OJ 5/17/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1375.00 1 2.16986711e+01 2.38614849e-02-8.48934175e-06 1.35326438e-09-7.99739026e-14 2 -3.40155873e+04-9.50967004e+01-5.73769825e+00 8.50043808e-02-6.16416701e-05 3 2.38617513e-08-4.18052431e-12-2.41144827e+04 5.34982094e+01 4 HX16AL1J 4/25/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1373.00 1 2.06736889e+01 2.13689471e-02-7.26639871e-06 1.12489765e-09-6.51700881e-14 2 -3.04786110e+04-7.41866645e+01 4.37908306e+00 5.66718964e-02-3.74180410e-05 3 1.40466134e-08-2.53629203e-12-2.44363415e+04 1.45338277e+01 4 HX13AL6J 4/25/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1382.00 1 2.09345242e+01 2.22272474e-02-7.78804733e-06 1.22881339e-09-7.21004849e-14 2 -2.98834973e+04-7.79596867e+01 8.92311164e-01 6.93489537e-02-5.32333316e-05 3 2.33527022e-08-4.64451057e-12-2.27658756e+04 2.99520045e+01 4 HX15AL6J 4/25/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1376.00 1 2.19565890e+01 2.06270189e-02-7.08584744e-06 1.10445464e-09-6.42897368e-14 2 -3.20497139e+04-8.22954656e+01 2.98978560e+00 6.48341164e-02-4.87323598e-05 3 2.07127975e-08-3.99608483e-12-2.53291180e+04 1.98689995e+01 4 HX14AL6J 4/25/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1375.00 1 2.01078950e+01 2.20560052e-02-7.54558202e-06 1.17259916e-09-6.81061038e-14 2 -2.81111098e+04-7.02462875e+01 4.29573920e+00 5.79389172e-02-4.15625182e-05 3 1.80436536e-08-3.72508335e-12-2.22945593e+04 1.54818348e+01 4 HX14EN6J 5/ 8/ 6 THERMC 6H 9 0 0G 300.0000 5000.0000 1382.00 1 1.80187060e+01 2.05900784e-02-7.25397521e-06 1.14874023e-09-6.75743217e-14 2 1.78861395e+04-7.11164144e+01-2.76076729e+00 7.06631203e-02-5.68134957e-05 3 2.57081376e-08-5.16418063e-12 2.51315597e+04 4.03119993e+01 4 BUT12AL4J 5/17/ 6 THERMC 4H 5O 2 0G 300.0000 5000.0000 1375.00 1 1.47337280e+01 1.25643884e-02-4.35024239e-06 6.81592295e-10-3.98170637e-14 2 -1.71401307e+04-4.62365046e+01 2.55504650e+00 4.04632400e-02-2.99419696e-05 3 1.23759191e-08-2.33346567e-12-1.27870420e+04 1.95165319e+01 4 BUT13AL4J 4/25/ 6 THERMC 4H 5O 2 0G 300.0000 5000.0000 1380.00 1 1.65293411e+01 1.16224931e-02-4.15199276e-06 6.63671689e-10-3.92958990e-14 2 -2.56358291e+04-5.92419191e+01 2.33647210e-01 5.05942353e-02-4.10145392e-05 3 1.74980011e-08-3.21738660e-12-2.00464149e+04 2.80270830e+01 4 BT14AL1J 4/25/ 6 THERMC 4H 5O 2 0G 300.0000 5000.0000 1369.00 1 1.39398821e+01 1.30768500e-02-4.49050064e-06 6.99619378e-10-4.07081554e-14 2 -2.21507058e+04-4.08267253e+01 5.04203542e+00 3.12557892e-02-1.92617358e-05 3 7.05175001e-09-1.35125745e-12-1.86892551e+04 8.10514092e+00 4 AC3H4CHO1 4/24/ 6 THERMC 4H 5O 1 0G 300.0000 5000.0000 1385.00 1 1.31411233e+01 1.20974544e-02-4.25024176e-06 6.71876889e-10-3.94756754e-14 2 1.44945462e+04-4.25829067e+01 3.52474073e-01 4.27195659e-02-3.37834600e-05 3 1.46824373e-08-2.80991055e-12 1.89263030e+04 2.59783062e+01 4 HX2N1AL6J 8/ 6/ 7 THERMC 6H 9O 1 0G 300.0000 5000.0000 1393.00 1 1.92420866e+01 2.09983928e-02-7.24163118e-06 1.13057295e-09-6.58504427e-14 2 -3.52587650e+03-7.05153155e+01-6.79723675e-01 7.18127741e-02-5.99654597e-05 3 2.77486020e-08-5.51142835e-12 3.08486207e+03 3.52153376e+01 4 HX1N1Q6AL 4/25/ 6 THERMC 6H 10O 3 0G 300.0000 5000.0000 1385.00 1 2.53154911e+01 2.22789939e-02-7.61789857e-06 1.18350890e-09-6.87297017e-14 2 -3.63080163e+04-9.82728496e+01 1.83606853e+00 7.97357906e-02-6.35842553e-05 3 2.74927400e-08-5.13424516e-12-2.83726040e+04 2.70256840e+01 4 HX1N4Q6AL 4/25/ 6 THERMC 6H 10O 3 0G 300.0000 5000.0000 1392.00 1 2.43363645e+01 2.32619903e-02-7.97983925e-06 1.24156802e-09-7.21484288e-14 2 -3.80849168e+04-9.26501656e+01 2.40833097e+00 7.84295227e-02-6.40558261e-05 3 2.89164078e-08-5.62651766e-12-3.07633865e+04 2.39425821e+01 4 HX1N3Q6AL 5/ 2/ 6 THERMC 6H 10O 3 0G 300.0000 5000.0000 1392.00 1 2.43363645e+01 2.32619903e-02-7.97983925e-06 1.24156802e-09-7.21484288e-14 2 -3.80849168e+04-9.26501656e+01 2.40833097e+00 7.84295227e-02-6.40558261e-05 3 2.89164078e-08-5.62651766e-12-3.07633865e+04 2.39425821e+01 4 H1N4OJ6AL 4/25/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1390.00 1 2.09931688e+01 2.15884936e-02-7.34654380e-06 1.13709905e-09-6.58449106e-14 2 -1.84192005e+04-7.74442702e+01 6.96378263e-01 7.34556711e-02-6.10297318e-05 3 2.80745041e-08-5.53620351e-12-1.17178102e+04 3.02007587e+01 4 H1N3OJ6AL 5/ 2/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1388.00 1 2.15325700e+01 2.09679481e-02-7.10366218e-06 1.09672303e-09-6.34105684e-14 2 -1.81077020e+04-8.07504587e+01 1.62042862e-01 7.63002089e-02-6.50488572e-05 3 3.03956191e-08-6.02939868e-12-1.11354007e+04 3.23146373e+01 4 H1N5OJ6AL 4/27/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1396.00 1 2.11143945e+01 2.20073571e-02-7.60101796e-06 1.18785514e-09-6.92338454e-14 2 -1.79073219e+04-7.87590575e+01-7.44110081e-01 7.81261310e-02-6.58882271e-05 3 3.04432516e-08-5.98909451e-12-1.07176431e+04 3.70706026e+01 4 PRO13DIAL 4/24/ 6 THERMC 3H 4O 2 0G 300.0000 5000.0000 1376.00 1 1.22909735e+01 1.03648762e-02-3.67419048e-06 5.84283127e-10-3.44717082e-14 2 -3.88681351e+04-3.90403030e+01 1.05237154e+00 3.52164589e-02-2.50531697e-05 3 9.53684043e-09-1.65313348e-12-3.47909425e+04 2.18998181e+01 4 PRO13AL1J 4/24/ 6 THERMC 3H 3O 2 0G 300.0000 5000.0000 1372.00 1 1.19238790e+01 8.13968532e-03-2.90929153e-06 4.65185221e-10-2.75496139e-14 2 -1.99143607e+04-3.46932091e+01 1.86468751e+00 3.02014990e-02-2.14312954e-05 3 7.88451439e-09-1.29907421e-12-1.62684384e+04 1.98778342e+01 4 HEX15EN3Q 5/ 2/ 6 THERMC 6H 10O 2 0G 300.0000 5000.0000 1399.00 1 2.22487832e+01 2.29193502e-02-7.86076698e-06 1.22268855e-09-7.10309909e-14 2 -1.25450324e+04-8.48144859e+01-8.42675991e-02 8.06734665e-02-6.79638137e-05 3 3.12453089e-08-6.08488341e-12-5.26847818e+03 3.33314519e+01 4 HEX15EN1Q 4/25/ 6 THERMC 6H 10O 2 0G 300.0000 5000.0000 1396.00 1 2.28407697e+01 2.25991863e-02-7.79265492e-06 1.21661830e-09-7.08669457e-14 2 -1.06323772e+04-8.83017720e+01-7.50784799e-01 8.26327935e-02-6.90342623e-05 3 3.12262875e-08-5.99770873e-12-2.86757000e+03 3.68138361e+01 4 HX15EN3OJ 5/ 2/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1397.00 1 2.09056637e+01 1.91298939e-02-6.42303034e-06 9.86241528e-10-5.68246616e-14 2 6.77420930e+03-8.14698125e+01-3.30379589e+00 8.15010874e-02-6.93322187e-05 3 3.06915339e-08-5.60647975e-12 1.45251333e+04 4.63998026e+01 4 HX15EN1OJ 4/25/ 6 THERMC 6H 9O 1 0G 300.0000 5000.0000 1400.00 1 1.93738886e+01 2.06263355e-02-6.96661078e-06 1.07273911e-09-6.18912659e-14 2 6.03030465e+03-7.25981966e+01-2.01280584e+00 7.75441692e-02-6.74476073e-05 3 3.15309689e-08-6.13563713e-12 1.27932800e+04 3.98923912e+01 4 HX1N5Q6AL 5/ 2/ 6 THERMC 6H 10O 3 0G 300.0000 5000.0000 1398.00 1 2.54607405e+01 2.24567803e-02-7.73514063e-06 1.20681257e-09-7.02639300e-14 2 -3.74812375e+04-9.98818759e+01-1.49179867e-01 8.95654211e-02-7.80558756e-05 3 3.62900060e-08-7.04179629e-12-2.92687688e+04 3.52104691e+01 4 BUT14DIAL 4/25/ 6 THERMC 4H 6O 2 0G 300.0000 5000.0000 1371.00 1 1.44406255e+01 1.50487556e-02-5.13967301e-06 7.97895590e-10-4.63122524e-14 2 -4.11378733e+04-4.58829270e+01 4.23701107e+00 3.62128847e-02-2.25811534e-05 3 8.30039061e-09-1.56412904e-12-3.72133087e+04 1.00926550e+01 4 CHX1Q2Q3J 4/24/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1382.00 1 2.98556800e+01 2.53932414e-02-9.01194962e-06 1.43437601e-09-8.46824672e-14 2 -3.09238508e+04-1.30754955e+02-2.72540184e+00 9.75776785e-02-6.87223277e-05 3 2.38370600e-08-3.44772678e-12-1.93340882e+04 4.54666456e+01 4 CHX1Q2Q4J 4/24/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1376.00 1 2.99900707e+01 2.47910036e-02-8.70321874e-06 1.37621091e-09-8.09089192e-14 2 -3.10297535e+04-1.30897648e+02-3.57127105e+00 9.85669178e-02-6.79446258e-05 3 2.21151710e-08-2.81990927e-12-1.91296491e+04 5.06599308e+01 4 CHX1Q3Q4J 4/24/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1382.00 1 2.98556800e+01 2.53932414e-02-9.01194962e-06 1.43437601e-09-8.46824672e-14 2 -3.09238508e+04-1.30754955e+02-2.72540184e+00 9.75776785e-02-6.87223277e-05 3 2.38370600e-08-3.44772678e-12-1.93340882e+04 4.54666456e+01 4 CHX1Q3Q2J 4/24/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1382.00 1 2.98556800e+01 2.53932414e-02-9.01194962e-06 1.43437601e-09-8.46824672e-14 2 -3.09238508e+04-1.30754955e+02-2.72540184e+00 9.75776785e-02-6.87223277e-05 3 2.38370600e-08-3.44772678e-12-1.93340882e+04 4.54666456e+01 4 CHX1Q3Q5J 4/24/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1382.00 1 2.98556800e+01 2.53932414e-02-9.01194962e-06 1.43437601e-09-8.46824672e-14 2 -3.09238508e+04-1.30754955e+02-2.72540184e+00 9.75776785e-02-6.87223277e-05 3 2.38370600e-08-3.44772678e-12-1.93340882e+04 4.54666456e+01 4 CHX1Q4Q2J 4/24/ 6 THERMC 6H 11O 4 0G 300.0000 5000.0000 1382.00 1 2.98556800e+01 2.53932414e-02-9.01194962e-06 1.43437601e-09-8.46824672e-14 2 -3.09238508e+04-1.30754955e+02-2.72540184e+00 9.75776785e-02-6.87223277e-05 3 2.38370600e-08-3.44772678e-12-1.93340882e+04 4.54666456e+01 4 CYHX1EN3Q 5/ 2/ 6 THERMC 6H 10O 2 0G 300.0000 5000.0000 1394.00 1 2.22604918e+01 2.43459576e-02-8.48682527e-06 1.33468541e-09-7.81399843e-14 2 -2.41008895e+04-9.45536924e+01-4.89548804e+00 9.09266149e-02-7.31749050e-05 3 3.14549907e-08-5.78373433e-12-1.49538621e+04 5.02814151e+01 4 CYHX1EN4Q 4/25/ 6 THERMC 6H 10O 2 0G 300.0000 5000.0000 1394.00 1 2.22604918e+01 2.43459576e-02-8.48682527e-06 1.33468541e-09-7.81399843e-14 2 -2.41008895e+04-9.45536924e+01-4.89548804e+00 9.09266149e-02-7.31749050e-05 3 3.14549907e-08-5.78373433e-12-1.49538621e+04 5.02814151e+01 4 HX1NOJ6AL 4/25/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1388.00 1 2.17852990e+01 2.04816797e-02-6.88175419e-06 1.05688585e-09-6.08939110e-14 2 -1.96537678e+04-8.22809764e+01 7.44677212e-01 7.38812173e-02-6.10272163e-05 3 2.73967917e-08-5.23346371e-12-1.27363785e+04 2.93207755e+01 4 HX12AL6J 5/17/ 6 THERMC 6H 9O 2 0G 300.0000 5000.0000 1377.00 1 2.14489278e+01 2.09005600e-02-7.14744738e-06 1.11082001e-09-6.45338107e-14 2 -2.54665927e+04-7.95043089e+01 1.86734579e+00 6.60308988e-02-4.84327340e-05 3 1.96699622e-08-3.60749371e-12-1.85310770e+04 2.60534483e+01 4 CH2cC5H9 4/ 8/14 THERMC 6H 11 0 0G 300.0000 5000.0000 1379.00 1 1.66728752e+01 2.78678124e-02-9.80815788e-06 1.55213232e-09-9.12574885e-14 2 1.77940425e+03-7.00808483e+01-8.35624448e+00 8.64954123e-02-6.68537700e-05 3 2.99748371e-08-6.13972843e-12 1.07516774e+04 6.48734811e+01 4 CPT 4/30/14 THERMC 5H 10 0 0G 300.0000 5000.0000 1386.00 1 1.32998598e+01 2.56301908e-02-8.93710897e-06 1.40553791e-09-8.22822541e-14 2 -1.76853252e+04-5.43117877e+01-8.58771536e+00 7.65784093e-02-5.70851952e-05 3 2.42007152e-08-4.66914127e-12-9.89117287e+03 6.36596315e+01 4 CYC5H71-3 1/22/ 9 WKM C 5H 7 0 0G 300.0000 5000.0000 1377.00 1 1.36630213e+01 1.68061358e-02-5.98746539e-06 9.55341072e-10-5.64951981e-14 2 1.27314565e+04-5.46237444e+01-7.00770716e+00 6.24894578e-02-4.44273915e-05 3 1.61754444e-08-2.58406229e-12 2.01619075e+04 5.73403339e+01 4 CYC5H71-4 4/30/14 THERMC 5H 7 0 0G 300.0000 5000.0000 1407.00 1 1.24303098e+01 1.78557856e-02-6.05998842e-06 9.35846710e-10-5.40925143e-14 2 2.04731514e+04-4.43732621e+01-5.71349743e+00 6.71091123e-02-5.94654223e-05 3 2.82661726e-08-5.55460752e-12 2.61229649e+04 5.07318301e+01 4 C5H71-4-5 4/30/14 THERMC 5H 7 0 0G 300.0000 5000.0000 1395.00 1 1.29654621e+01 1.68180317e-02-5.75856994e-06 8.94501983e-10-5.19101016e-14 2 3.59072209e+04-4.16823038e+01 2.75786175e-01 4.91546158e-02-3.98467718e-05 3 1.86139548e-08-3.79798911e-12 4.01739564e+04 2.57701570e+01 4 C5H714-1 8/ 3/ 7 THERMC 5H 7 0 0G 300.000 5000.000 1385.000 21 1.41860706E+01 1.63589415E-02-5.73205532E-06 9.04415738E-10-5.30660173E-14 2 3.54950915E+04-4.92463856E+01-8.55714936E-01 5.13783280E-02-3.76648435E-05 3 1.45598983E-08-2.35892162E-12 4.08080878E+04 3.17111048E+01 4 CYC51EN3OJ 4/30/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1385.00 1 1.56788166e+01 1.86898786e-02-6.58329666e-06 1.04241213e-09-6.13150425e-14 2 2.95393645e+03-6.11048428e+01-4.60749557e+00 6.93888395e-02-5.86287870e-05 3 2.74510726e-08-5.56676299e-12 9.83310708e+03 4.70121595e+01 4 NC3H4OH1-3 4/30/14 THERMC 3H 5O 1 0G 300.0000 5000.0000 1375.00 1 1.13431186e+01 1.16173631e-02-4.11080548e-06 6.52872754e-10-3.84818852e-14 2 -3.36277172e+03-3.61644805e+01 6.04520798e-01 3.62519722e-02-2.76295999e-05 3 1.22958028e-08-2.53839290e-12 5.48339586e+02 2.19398310e+01 4 C4H6CHO2-5 4/30/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1399.00 1 1.52044444e+01 1.72432840e-02-5.85733506e-06 9.05006007e-10-5.23254225e-14 2 1.14270888e+03-5.06358861e+01-2.49090060e-01 5.99579796e-02-5.40086962e-05 3 2.68440575e-08-5.55709763e-12 5.96903253e+03 3.02619909e+01 4 C4H6CHO4-5 4/30/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1430.00 1 1.82719316e+01 1.56574635e-02-5.64313930e-06 9.07296052e-10-5.39377288e-14 2 7.55772939e+03-6.92125659e+01 6.57425122e+00 1.99579618e-02 2.08739830e-05 3 -2.64875303e-08 7.46259352e-12 1.36905073e+04 1.35886704e+00 4 C53OH1EN5J 4/25/14 THERMC 5H 9O 1 0G 300.0000 5000.0000 1398.00 1 1.54944533e+01 2.11091806e-02-7.15888226e-06 1.10465943e-09-6.38030774e-14 2 -5.29139077e+03-5.06718077e+01 8.57458606e-01 6.01264917e-02-5.03813665e-05 3 2.44764627e-08-5.11467189e-12-5.15720416e+02 2.65691560e+01 4 CPTO H 8C 5O 1 0g 300.0000 5000.0000 1000.00 1 1.04826551e+01 2.80549809e-02-1.10104064e-05 1.97632963e-09-1.33256867e-13 2 -2.86009992e+04-3.29647989e+01-5.87965063e+00 7.82727756e-02-7.89566916e-05 3 5.26647388e-08-1.67308698e-11-2.40514088e+04 5.10706197e+01 4 CPTO2H 5/19/14 THERMC 5H 10O 2 0G 300.0000 5000.0000 1174.00 1 1.27566687e+01 3.20559056e-02-1.23833550e-05 1.98421575e-09-1.07421023e-13 2 -2.73105532e+04-4.28066988e+01-1.16060760e+01 1.10588230e-01-1.00492522e-04 3 4.13747292e-08-5.44162214e-12-2.16330154e+04 7.92031914e+01 4 CPTO2J H 9C 5O 2 0g 300.0000 5000.0000 1000.00 1 1.27935007e+01 3.16027234e-02-1.24157376e-05 2.23038030e-09-1.50479786e-13 2 -1.05744929e+04-4.39400058e+01-6.39055376e+00 8.86959390e-02-8.59059340e-05 3 5.46673440e-08-1.70064083e-11-5.17836933e+03 5.49656245e+01 4 CPT1Q2J H 9C 5O 2 0g 300.0000 5000.0000 1000.00 1 1.42318597e+01 2.98096308e-02-1.16042483e-05 2.07183529e-09-1.39188939e-13 2 -4.17036840e+03-5.01282861e+01-4.87374234e+00 8.97998055e-02-9.25805166e-05 3 6.04762558e-08-1.84519139e-11 9.93675560e+02 4.74565378e+01 4 CPT1Q3J H 9C 5O 2 0g 300.0000 5000.0000 1000.00 1 1.43360187e+01 2.97138857e-02-1.15675473e-05 2.06535729e-09-1.38757457e-13 2 -4.97997362e+03-5.09181871e+01-4.95761394e+00 9.05099132e-02-9.37889679e-05 3 6.12946464e-08-1.86490209e-11 2.17515850e+02 4.75566578e+01 4 CPTOJ 5/19/14 THERMC 5H 9O 1 0G 300.0000 5000.0000 1389.00 1 1.50671200e+01 2.40563729e-02-8.37734250e-06 1.31634310e-09-7.70131763e-14 2 -1.11963973e+04-6.01738729e+01-6.89406732e+00 7.80897530e-02-6.28947346e-05 3 2.85758479e-08-5.70807378e-12-3.66119829e+03 5.71729849e+01 4 CPTQ2QJ 5/19/14 THERMC 5H 9O 4 0G 300.0000 5000.0000 1029.00 1 1.33720117e+01 3.27743133e-02-9.50852340e-06 7.30077241e-10 2.11297008e-14 2 -2.13319823e+04-3.80846199e+01-5.88631913e+00 9.33398204e-02-4.66859856e-05 3 -2.79078279e-08 2.45530306e-11-1.77110549e+04 5.63832020e+01 4 CPTQ3QJ 5/19/14 THERMC 5H 9O 4 0G 300.0000 5000.0000 1029.00 1 1.33720117e+01 3.27743133e-02-9.50852340e-06 7.30077241e-10 2.11297008e-14 2 -2.13319823e+04-3.80846199e+01-5.88631913e+00 9.33398204e-02-4.66859856e-05 3 -2.79078279e-08 2.45530306e-11-1.77110549e+04 5.63832020e+01 4 CPT1*O2Q 5/19/14 THERMC 5H 8O 3 0G 300.0000 5000.0000 1381.00 1 2.36385706e+01 1.87359630e-02-6.61744374e-06 1.05086868e-09-6.19721834e-14 2 -4.48984009e+04-1.01506297e+02-6.69238997e+00 8.86329781e-02-6.68370871e-05 3 2.43775707e-08-3.57722005e-12-3.44750343e+04 6.14173928e+01 4 CPT1*O3Q 5/19/14 THERMC 5H 8O 3 0G 300.0000 5000.0000 1466.00 1 2.27851925e+01 2.02368753e-02-7.30454872e-06 1.17559645e-09-6.99371648e-14 2 -4.61575555e+04-9.88228752e+01-1.06508572e+00 5.81305118e-02-1.72249915e-05 3 -7.90628404e-09 3.87750504e-12-3.63528856e+04 3.51406555e+01 4 CPT1*O2J 5/19/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1758.00 1 2.97109047e+01 9.18176263e-03-4.00215727e-06 7.26722185e-10-4.69489329e-14 2 -2.07099598e+04-1.54674272e+02-5.44181796e+00 2.10396921e-02 5.88291107e-05 3 -5.63842404e-08 1.36071572e-11-5.07207049e+02 6.08736047e+01 4 CPTYO12 H 8C 5O 1 0g 300.0000 5000.0000 1000.00 1 1.04092125e+01 2.81355524e-02-1.10477929e-05 1.98402747e-09-1.33833313e-13 2 -1.63100917e+04-3.46255925e+01-7.94783633e+00 8.40335371e-02-8.41003166e-05 3 5.38233163e-08-1.64615342e-11-1.12454759e+04 5.96108479e+01 4 CPTYO13 H 8C 5O 1 0g 300.0000 5000.0000 1000.00 1 1.04772577e+01 2.80572795e-02-1.10146714e-05 1.97789892e-09-1.33415576e-13 2 -1.13646124e+04-3.60728347e+01-9.98922976e+00 9.26802221e-02-9.78109800e-05 3 6.35676380e-08-1.90833013e-11-5.88495101e+03 6.82874222e+01 4 CPTYO123J 5/19/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1713.00 1 -3.24401034e+01 8.24677758e-02-3.24330803e-05 4.77322417e-09-2.20326423e-13 2 2.79227095e+04 2.12798215e+02-2.78898008e+01 1.84553791e-01-2.52228876e-04 3 1.53403819e-07-3.29203641e-11 1.51395313e+04 1.47881157e+02 4 CYC5O1EN5J 5/19/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1417.00 1 1.43498215e+01 1.80136974e-02-5.96873986e-06 9.08129321e-10-5.19852541e-14 2 2.38006184e+03-5.39904109e+01-4.73071663e+00 6.27914827e-02-4.50335008e-05 3 1.59677088e-08-2.22954132e-12 8.82088619e+03 4.81447458e+01 4 PENT16AL1J 5/19/14 THERMC 5H 7O 2 0G 300.0000 5000.0000 1471.00 1 3.36618584e+01 5.51567594e-03-2.41950282e-06 4.41339237e-10-2.86084618e-14 2 -4.15040660e+04-1.66814180e+02-4.58936169e+00-4.16452441e-03 1.32023797e-04 3 -1.20860268e-07 3.15123051e-11-1.88660564e+04 7.27424055e+01 4 PENT12AL5J 5/19/14 THERMC 5H 7O 2 0G 300.0000 5000.0000 1668.00 1 1.66381730e+01 2.07633087e-02-7.74888522e-06 1.27903881e-09-7.75274405e-14 2 -2.04696649e+04-5.54245976e+01 4.02680840e+00 4.06540591e-02-1.20029673e-05 3 -4.19771393e-09 2.07802550e-12-1.54912187e+04 1.51847183e+01 4 PENT14AL5J 5/19/14 THERMC 5H 7O 2 0G 300.0000 5000.0000 1283.00 1 1.87495495e+01 2.49600250e-02-1.09547527e-05 1.99990277e-09-1.29664706e-13 2 -3.04017971e+04-7.38749943e+01-1.28975191e+01 1.05608255e-01-1.06369253e-04 3 6.36944751e-08-1.67588557e-11-1.92360433e+04 9.55134617e+01 4 PENT13AL5J 5/19/14 THERMC 5H 7O 2 0G 300.0000 5000.0000 1515.00 1 1.96529038e+01 1.65921562e-02-5.96144464e-06 9.56501500e-10-5.67817700e-14 2 -2.75959752e+04-7.36740169e+01 3.57374144e+00 3.99495105e-02-8.71346141e-06 3 -7.44364153e-09 3.02192380e-12-2.07025910e+04 1.75301015e+01 4 CJXOCH2CHO 5/19/14 THERMC 3H 3O 2 0G 300.0000 5000.0000 1383.00 1 1.17532807e+01 8.19791182e-03-2.90889675e-06 4.62886695e-10-2.73219880e-14 2 -2.12665083e+04-3.35240477e+01 1.34445735e+00 3.36928033e-02-2.80311812e-05 3 1.25446319e-08-2.42147439e-12-1.77286799e+04 2.20553990e+01 4 PT1N3*O5J 5/19/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1673.00 1 1.41236026e+01 2.06666669e-02-7.68673938e-06 1.26592274e-09-7.66118664e-14 2 1.38888987e+02-4.50735851e+01 3.65342907e+00 3.49614331e-02-6.66469414e-06 3 -6.33368844e-09 2.38450513e-12 4.48781590e+03 1.43363964e+01 4 CH2CXOCHO 5/19/14 THERMC 3H 3O 2 0G 300.0000 5000.0000 1396.00 1 1.21635230e+01 8.38381099e-03-2.90299958e-06 4.54647824e-10-2.65453525e-14 2 -1.57027660e+04-3.63744669e+01 1.53742322e+00 3.50756751e-02-2.92486749e-05 3 1.27332881e-08-2.31663343e-12-1.22158195e+04 2.00221072e+01 4 C2H3OC3H4A 5/19/14 THERMC 5H 7O 1 0G 300.0000 5000.0000 1382.00 1 1.57594636e+01 1.64142918e-02-5.50912542e-06 8.45453399e-10-4.86865724e-14 2 1.19153157e+04-5.43125540e+01 1.52359587e+00 4.95932386e-02-3.58831913e-05 3 1.42599908e-08-2.51952590e-12 1.68867340e+04 2.22345293e+01 4 PT1N1Q5J H 9C 5O 2 0g 300.0000 5000.0000 1000.00 1 1.53049924e+01 2.84709040e-02-1.09922015e-05 1.95104638e-09-1.30513856e-13 2 4.80436157e+03-5.08089006e+01-7.77341370e-01 8.00740448e-02-8.30701762e-05 3 5.56269086e-08-1.72492084e-11 9.11588987e+03 3.11074915e+01 4 PT1N3Q5J H 9C 5O 2 0g 300.0000 5000.0000 1000.00 1 1.55208639e+01 2.82152360e-02-1.08781652e-05 1.92885612e-09-1.28934400e-13 2 4.26370916e+03-5.26071069e+01-8.29409006e-01 8.16625884e-02-8.66793977e-05 3 5.85903557e-08-1.80862809e-11 8.58347779e+03 3.03920111e+01 4 PT1N4Q5J H 9C 5O 2 0g 300.0000 5000.0000 1000.00 1 1.55626630e+01 2.81347615e-02-1.08364162e-05 1.92016199e-09-1.28292837e-13 2 4.66479707e+03-5.27901078e+01-1.58659544e+00 8.54276741e-02-9.34419732e-05 3 6.38495721e-08-1.95958000e-11 9.11393382e+03 3.39063787e+01 4 ! Updated 2mhx C7H16-2 3/ 6/96 THERMC 7H 16 0 0G 300.000 5000.000 1392.000 61 2.21573551E+01 3.51221368E-02-1.20277506E-05 1.86869531E-09-1.08466169E-13 2 -3.54503322E+04-9.28253565E+01-1.85211796E+00 8.77705520E-02-5.56896735E-05 3 1.82531514E-08-2.47030871E-12-2.66915050E+04 3.74676492E+01 4 C7H15-2A 5/ 8/ 5 THERMC 7H 15 0 0G 300.000 5000.000 1382.000 61 2.24163916E+01 3.33705214E-02-1.16508030E-05 1.83370999E-09-1.07399886E-13 2 -1.08225989E+04-9.16250687E+01-1.85943896E+00 8.73203715E-02-5.90489689E-05 3 2.17668884E-08-3.49833738E-12-1.84991711E+03 4.01795830E+01 4 C7H15-2F 5/ 8/ 5 THERMC 7H 15 0 0G 300.000 5000.000 1382.000 61 2.24163916E+01 3.33705214E-02-1.16508030E-05 1.83370999E-09-1.07399886E-13 2 -1.04199819E+04-9.23145504E+01-1.85943896E+00 8.73203715E-02-5.90489689E-05 3 2.17668884E-08-3.49833738E-12-1.44730010E+03 3.94901013E+01 4 C7H15-2C 5/ 8/ 5 THERMC 7H 15 0 0G 300.000 5000.000 1378.000 61 2.16336210E+01 3.40867779E-02-1.19100646E-05 1.87551348E-09-1.09890032E-13 2 -1.19559382E+04-8.79090753E+01-1.14301145E+00 7.97556141E-02-4.58223146E-05 3 1.31342144E-08-1.55765188E-12-3.06101771E+03 3.74803283E+01 4 C7H15-2D 5/ 8/ 5 THERMC 7H 15 0 0G 300.000 5000.000 1378.000 61 2.16336210E+01 3.40867779E-02-1.19100646E-05 1.87551348E-09-1.09890032E-13 2 -1.23585553E+04-8.79090753E+01-1.14301145E+00 7.97556141E-02-4.58223146E-05 3 1.31342144E-08-1.55765188E-12-3.46363472E+03 3.74803283E+01 4 C7H15-2E 5/ 8/ 5 THERMC 7H 15 0 0G 300.000 5000.000 1378.000 61 2.16336210E+01 3.40867779E-02-1.19100646E-05 1.87551348E-09-1.09890032E-13 2 -1.23585553E+04-8.79090753E+01-1.14301145E+00 7.97556141E-02-4.58223146E-05 3 1.31342144E-08-1.55765188E-12-3.46363472E+03 3.74803283E+01 4 C7H15-2B 5/ 8/ 5 THERMC 7H 15 0 0G 300.000 5000.000 1372.000 61 2.11644641E+01 3.46008728E-02-1.21136490E-05 1.91007639E-09-1.12016772E-13 2 -1.26447279E+04-8.45971383E+01 1.58644929E+00 6.76347458E-02-2.87741885E-05 3 3.26504730E-09 4.85661508E-13-4.31364768E+03 2.54973073E+01 4 C7H14-1-2 5/ 8/ 5 THERMC 7H 14 0 0G 300.000 5000.000 1392.000 51 2.10362326E+01 3.12251826E-02-1.06455286E-05 1.64909068E-09-9.55267368E-14 2 -2.00231696E+04-8.49618607E+01-8.12686348E-01 8.00476466E-02-5.21693265E-05 3 1.77322031E-08-2.50122983E-12-1.21587692E+04 3.32583208E+01 4 C7H14-2-2 5/9/ 5 THERMC 7H 14 0 0G 300.000 5000.000 1390.000 51 2.05656232E+01 3.16497617E-02-1.07973115E-05 1.67332326E-09-9.69591372E-14 2 -2.13686698E+04-8.27699732E+01-3.01805124E-01 7.66329754E-02-4.71321587E-05 3 1.48048150E-08-1.89778384E-12-1.36779373E+04 3.07486792E+01 4 C7H14-3-2 5/10/5 THERMC 7H 14 0 0G 300.000 5000.000 1394.000 51 2.06379464E+01 3.18314918E-02-1.09118430E-05 1.69644803E-09-9.85132184E-14 2 -2.06743870E+04-8.37547871E+01-2.60103495E+00 8.51300632E-02-5.80985471E-05 3 2.09882767E-08-3.17656976E-12-1.24292585E+04 4.15292356E+01 4 C7H14-4-2 5/10/5 THERMC 7H 14 0 0G 300.000 5000.000 1391.000 51 2.05779048E+01 3.18328540E-02-1.09023323E-05 1.69400284E-09-9.83344363E-14 2 -2.08520999E+04-8.35535452E+01-1.63398093E+00 8.09693755E-02-5.22302764E-05 3 1.75253094E-08-2.44383604E-12-1.27893782E+04 3.68369385E+01 4 C7H14-5-2 5/10/5 THERMC 7H 14 0 0G 300.000 5000.000 1393.000 51 2.10562470E+01 3.14023166E-02-1.07486287E-05 1.66948460E-09-9.68859802E-14 2 -1.95101121E+04-8.57912676E+01-2.17155975E+00 8.45061604E-02-5.74394785E-05 3 2.05540405E-08-3.06881014E-12-1.12663480E+04 3.94690777E+01 4 C7H13-1-2 5/10/5 THERMC 7H 13 0 0G 300.000 5000.000 1393.000 51 1.99989741E+01 2.98803959E-02-1.02501858E-05 1.59430179E-09-9.26098209E-14 2 8.48779950E+03-7.81046960E+01-8.49253696E-01 7.67100490E-02-5.06533700E-05 3 1.76459960E-08-2.58198816E-12 1.59993729E+04 3.46670799E+01 4 C7H15OH-1-2 5/24/5 THERMC 7H 16O 1 0G 300.000 5000.000 1383.000 71 2.51485678E+01 3.58154650E-02-1.25166131E-05 1.97132184E-09-1.15516439E-13 2 -5.46709627E+04-1.04976891E+02-3.47855355E+00 1.01267802E-01-7.16913424E-05 3 2.74091479E-08-4.48906502E-12-4.43370170E+04 4.96958223E+01 4 C7H15O-1-2 5/24/5 THERMC 7H 15O 1 0G 300.000 5000.000 1378.000 71 2.57960573E+01 3.30233455E-02-1.16245854E-05 1.83976132E-09-1.08175326E-13 2 -2.78425280E+04-1.08709848E+02-1.87347765E+00 9.34934898E-02-6.28770308E-05 3 2.22631130E-08-3.37430299E-12-1.75880809E+04 4.17602121E+01 4 C7H15OH-3-2 5/24/5 THERMC 7H 16O 1 0G 300.000 5000.000 1384.000 71 2.49424037E+01 3.58258271E-02-1.24819444E-05 1.96178487E-09-1.14789722E-13 2 -5.64401938E+04-1.05527797E+02-2.18073112E+00 9.79217822E-02-6.88947331E-05 3 2.64058019E-08-4.35644066E-12-4.66362788E+04 4.10242376E+01 4 C7H15O-3-2 5/24/5 THERMC 7H 15O 1 0G 300.000 5000.000 1379.000 71 2.55717321E+01 3.30859438E-02-1.16161084E-05 1.83516565E-09-1.07770886E-13 2 -2.96197998E+04-1.08502837E+02-7.36553664E-01 9.07789757E-02-6.10125033E-05 3 2.18659629E-08-3.38308764E-12-1.98603357E+04 3.45429119E+01 4 C7H15OH-2-2 5/24/5 THERMC 7H 16O 1 0G 300.000 5000.000 1383.000 71 2.51095683E+01 3.56140258E-02-1.23932385E-05 1.94629432E-09-1.13820785E-13 2 -5.76426124E+04-1.06089149E+02-3.94006405E-01 9.10680055E-02-5.90234520E-05 3 2.03116761E-08-3.00627993E-12-4.81580847E+04 3.27064209E+01 4 C7H15O-2-2 5/24/5 THERMC 7H 15O 1 0G 300.000 5000.000 1377.000 71 2.57080319E+01 3.29576757E-02-1.15689684E-05 1.82749584E-09-1.07311369E-13 2 -3.08151383E+04-1.09588120E+02 9.40267610E-01 8.47318520E-02-5.27342389E-05 3 1.69708672E-08-2.33523874E-12-2.13733796E+04 2.59821042E+01 4 C7H15OH-4-2 5/24/5 THERMC 7H 16O 1 0G 300.000 5000.000 1384.000 71 2.49424037E+01 3.58258271E-02-1.24819444E-05 1.96178487E-09-1.14789722E-13 2 -5.64401938E+04-1.05527797E+02-2.18073112E+00 9.79217822E-02-6.88947331E-05 3 2.64058019E-08-4.35644066E-12-4.66362788E+04 4.10242376E+01 4 C7H15O-4-2 5/24/5 THERMC 7H 15O 1 0G 300.000 5000.000 1379.000 71 2.55717321E+01 3.30859438E-02-1.16161084E-05 1.83516565E-09-1.07770886E-13 2 -2.96197998E+04-1.08502837E+02-7.36553664E-01 9.07789757E-02-6.10125033E-05 3 2.18659629E-08-3.38308764E-12-1.98603357E+04 3.45429119E+01 4 C7H15OH-5-2 5/24/5 THERMC 7H 16O 1 0G 300.000 5000.000 1384.000 71 2.49424037E+01 3.58258271E-02-1.24819444E-05 1.96178487E-09-1.14789722E-13 2 -5.64401938E+04-1.05527797E+02-2.18073112E+00 9.79217822E-02-6.88947331E-05 3 2.64058019E-08-4.35644066E-12-4.66362788E+04 4.10242376E+01 4 C7H15O-5-2 5/24/5 THERMC 7H 15O 1 0G 300.000 5000.000 1379.000 71 2.55717321E+01 3.30859438E-02-1.16161084E-05 1.83516565E-09-1.07770886E-13 2 -2.96197998E+04-1.08502837E+02-7.36553664E-01 9.07789757E-02-6.10125033E-05 3 2.18659629E-08-3.38308764E-12-1.98603357E+04 3.45429119E+01 4 C7H15OH-6-2 5/24/5 THERMC 7H 16O 1 0G 300.000 5000.000 1383.000 71 2.51485678E+01 3.58154650E-02-1.25166131E-05 1.97132184E-09-1.15516439E-13 2 -5.46709627E+04-1.05666373E+02-3.47855355E+00 1.01267802E-01-7.16913424E-05 3 2.74091479E-08-4.48906502E-12-4.43370170E+04 4.90063406E+01 4 C7H15O-6-2 5/24/5 THERMC 7H 15O 1 0G 300.000 5000.000 1378.000 71 2.43147199E+01 3.30800456E-02-1.13730042E-05 1.77183606E-09-1.03047832E-13 2 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5/25/ 5 THERMC 7H 15O 2 0G 300.000 5000.000 1391.000 81 3.07628660E+01 2.86316876E-02-9.62814749E-06 1.47999635E-09-8.53409845E-14 2 -2.46157185E+04-1.31637404E+02 1.14593243E-01 9.67259118E-02-6.41133836E-05 3 1.96488972E-08-2.10160961E-12-1.38852530E+04 3.37672182E+01 4 C7OOH4-2B 5/25/ 5 THERMC 7H 15O 2 0G 300.000 5000.000 1666.000 81 2.54172207E+01 3.32489002E-02-1.13245873E-05 1.76252924E-09-1.02689751E-13 2 -2.42186344E+04-9.87416282E+01 1.48859255E+00 8.95104173E-02-5.87143941E-05 3 1.87555733E-08-2.28960430E-12-1.65011774E+04 2.88195682E+01 4 C7OOH4-2C 5/25/ 5 THERMC 7H 15O 2 0G 300.000 5000.000 1435.000 81 2.86057374E+01 2.91586753E-02-9.52595741E-06 1.43480649E-09-8.15362392E-14 2 -2.50386044E+04-1.18019351E+02-1.05762073E+00 1.01031331E-01-7.44195823E-05 3 2.72255379E-08-3.86764217E-12-1.52858360E+04 3.98891484E+01 4 C7OOH4-2E 5/25/ 5 THERMC 7H 15O 2 0G 300.000 5000.000 1435.000 81 2.91491227E+01 2.88291391E-02-9.44092561E-06 1.42447599E-09-8.10525928E-14 2 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4.05182858E+01 4 C7KET4-6-2 5/5 THERMC 7H 14O 3 0G 300.000 5000.000 1669.000 81 2.71602816E+01 3.69123168E-02-1.37814728E-05 2.27541894E-09-1.37948755E-13 2 -5.94760804E+04-1.09453515E+02 3.33310256E+00 7.91954038E-02-3.37483301E-05 3 1.74778585E-09 1.32206005E-12-5.04149344E+04 2.25681450E+01 4 C7KET5-1-2 5/5 THERMC 7H 14O 3 0G 300.000 5000.000 1449.000 81 3.11053935E+01 2.87579087E-02-9.76362020E-06 1.51070092E-09-8.75153290E-14 2 -6.12155074E+04-1.30602887E+02 1.76089666E+00 8.71118441E-02-4.70702222E-05 3 8.27719354E-09 4.87021950E-13-5.03136389E+04 3.00993176E+01 4 C7KET5-2-2 5/5 THERMC 7H 14O 3 0G 300.000 5000.000 1370.000 81 3.14357460E+01 3.06716810E-02-1.08884688E-05 1.73311042E-09-1.02312906E-13 2 -6.43607869E+04-1.34756582E+02 2.55931920E+00 8.84668686E-02-5.18315892E-05 3 1.34809341E-08-1.14259283E-12-5.32869621E+04 2.38958763E+01 4 C7KET5-3-2 5/5 THERMC 7H 14O 3 0G 300.000 5000.000 2051.000 81 2.78521556E+01 3.36725943E-02-1.20478441E-05 1.93796576E-09-1.15513882E-13 2 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THERMC 7H 14O 3 0G 300.000 5000.000 1467.000 81 3.32551394E+01 2.79992662E-02-9.73400567E-06 1.52996496E-09-8.95954506E-14 2 -6.10288758E+04-1.45333181E+02 2.39265250E+00 8.56895021E-02-4.14389196E-05 3 3.54822044E-09 1.65733365E-12-4.91762651E+04 2.50220808E+01 4 C7KET6-4-2 5/5 THERMC 7H 14O 3 0G 300.000 5000.000 1467.000 81 3.32551394E+01 2.79992662E-02-9.73400567E-06 1.52996496E-09-8.95954506E-14 2 -6.10288758E+04-1.45333181E+02 2.39265250E+00 8.56895021E-02-4.14389196E-05 3 3.54822044E-09 1.65733365E-12-4.91762651E+04 2.50220808E+01 4 C7KET6-5-2 5/5 THERMC 7H 14O 3 0G 300.000 5000.000 1409.000 81 3.37572182E+01 2.61688096E-02-8.79594438E-06 1.35187767E-09-7.79524812E-14 2 -5.93322536E+04-1.45314959E+02-4.03779010E+00 1.21491623E-01-9.98915919E-05 3 4.04177701E-08-6.40624429E-12-4.72252955E+04 5.46479113E+01 4 C7OOH1OOH1-C 5/14 THERMC 7H 15O 4 0G 300.000 5000.000 1395.000 11 3.01016297E+01 3.60669760E-02-1.53318385E-05 2.88096376E-09-1.90137312E-13 2 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10/15 THERMC 7H 14O 2 0G 300.000 5000.000 1386.000 71 2.77465246E+01 2.96479453E-02-1.00883772E-05 1.56188117E-09-9.04735698E-14 2 -3.48916631E+04-1.16651326E+02 8.85049449E-02 9.48679960E-02-6.91509335E-05 3 2.60544744E-08-4.01703602E-12-2.53625466E+04 3.16514613E+01 4 C7OOH2-ENE5 10/15 THERMC 7H 14O 2 0G 300.000 5000.000 1390.000 71 2.80963929E+01 2.94651594E-02-1.00471070E-05 1.55744092E-09-9.02879291E-14 2 -3.36599376E+04-1.17960203E+02-7.05933082E-01 9.96035025E-02-7.62562814E-05 3 3.03546381E-08-4.94029366E-12-2.39528141E+04 3.56998536E+01 4 C7OOH3-ENE1 10/15 THERMC 7H 14O 2 0G 300.000 5000.000 1396.000 71 2.88330184E+01 2.90397766E-02-9.94085955E-06 1.54478469E-09-8.97012130E-14 2 -3.24757124E+04-1.23052535E+02-2.96468133E+00 1.09430219E-01-8.88927763E-05 3 3.71827266E-08-6.28234990E-12-2.20924407E+04 4.54740827E+01 4 C7OOH3-ENE2 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1395.000 71 2.69295843E+01 3.08472410E-02-1.05998263E-05 1.65081197E-09-9.59865272E-14 2 -3.59615714E+04-1.11870923E+02 6.25072204E-01 9.27200177E-02-6.66691610E-05 3 2.49853583E-08-3.85673602E-12-2.68510692E+04 2.92795077E+01 4 C7OOH3-ENE3 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 2029.000 71 3.29338558E+01 3.67502670E-02-1.55466533E-05 2.76454932E-09-1.75793108E-13 2 -3.97746334E+04-1.24838665E+02 3.97921655E+00 8.11837004E-02-2.69543141E-05 3 -5.52314144E-09 3.06869742E-12-2.79241085E+04 3.83145517E+01 4 C7OOH3-ENE4 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1391.000 71 2.95717430E+01 2.77060248E-02-9.34506359E-06 1.43920089E-09-8.30911164E-14 2 -3.31226831E+04-1.24948046E+02-3.07097307E+00 1.09704864E-01-8.87998657E-05 3 3.66338357E-08-6.06795144E-12-2.24703787E+04 4.81470691E+01 4 C7OOH3-ENE5 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1403.000 71 2.65379784E+01 3.05202628E-02-1.03411542E-05 1.59524144E-09-9.21359403E-14 2 -3.20963607E+04-1.09224788E+02-4.27490317E-01 9.88999790E-02-7.79142399E-05 3 3.23378998E-08-5.47610453E-12-2.32839682E+04 3.36607047E+01 4 C7OOH4-ENE1 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1454.000 71 1.36671534E+01 3.57287567E-02-1.09063074E-05 1.55774496E-09-8.49412288E-14 2 -1.68920762E+04-5.20462338E+01-3.47967936E+00 9.11708682E-02-7.77753796E-05 3 3.69097142E-08-6.96863642E-12-1.26036434E+04 3.43584722E+01 4 C7OOH4-ENE2 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1394.000 71 2.84355671E+01 2.93073886E-02-1.00193111E-05 1.55571088E-09-9.02878205E-14 2 -3.36884752E+04-1.21478756E+02-2.19885059E+00 1.04847354E-01-8.20397730E-05 3 3.30606982E-08-5.40204581E-12-2.34985307E+04 4.15529004E+01 4 C7OOH4-ENE4 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1397.000 71 2.70690329E+01 3.05628943E-02-1.04659624E-05 1.62626334E-09-9.44115843E-14 2 -3.50473548E+04-1.13170107E+02-6.74175230E-01 9.83387803E-02-7.47705479E-05 3 2.97580191E-08-4.85715419E-12-2.57046692E+04 3.47832207E+01 4 C7OOH4-ENE3 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1395.000 71 2.66337293E+01 3.10878936E-02-1.06809395E-05 1.66331145E-09-9.67089309E-14 2 -3.57718460E+04-1.10405540E+02-6.27325126E-01 9.58950392E-02-7.01716240E-05 3 2.67751474E-08-4.20178585E-12-2.64050064E+04 3.56241708E+01 4 C7OOH4-ENE5 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1396.000 71 2.96132302E+01 2.79946728E-02-9.50376022E-06 1.46919149E-09-8.50203097E-14 2 -3.17636877E+04-1.27807956E+02-3.85394009E+00 1.14545477E-01-9.63704099E-05 3 4.14200557E-08-7.13071533E-12-2.10655226E+04 4.88189981E+01 4 C7OOH5-ENE1 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1400.000 71 2.60484127E+01 3.11631083E-02-1.06116637E-05 1.64243024E-09-9.50809319E-14 2 -3.29430188E+04-1.06151405E+02 3.93090153E-01 9.38206120E-02-7.00744002E-05 3 2.76641886E-08-4.50008287E-12-2.42944031E+04 3.06838940E+01 4 C7OOH5-ENE2 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1400.000 71 2.55807584E+01 3.14787900E-02-1.07029072E-05 1.65486391E-09-9.57326214E-14 2 -3.41044943E+04-1.04126931E+02 1.25130582E+00 8.89982827E-02-6.30465640E-05 3 2.34823501E-08-3.60957512E-12-2.57188255E+04 2.63004732E+01 4 C7OOH5-ENE3 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1394.000 71 2.86058836E+01 2.90550145E-02-9.91136413E-06 1.53691153E-09-8.91212490E-14 2 -3.36299952E+04-1.23175644E+02-3.14145286E+00 1.08010266E-01-8.57821108E-05 3 3.49393280E-08-5.74677398E-12-2.31574497E+04 4.55068082E+01 4 C7OOH5-ENE4 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1397.000 71 2.70690329E+01 3.05628943E-02-1.04659624E-05 1.62626334E-09-9.44115843E-14 2 -3.50473548E+04-1.13170107E+02-6.74175230E-01 9.83387803E-02-7.47705479E-05 3 2.97580191E-08-4.85715419E-12-2.57046692E+04 3.47832207E+01 4 C7OOH5-ENE5 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1398.000 71 2.75136245E+01 3.02218609E-02-1.03560069E-05 1.60986854E-09-9.34870782E-14 2 -3.38525051E+04-1.15005417E+02-1.33632431E+00 1.02472306E-01-8.09380338E-05 3 3.34403982E-08-5.63830291E-12-2.43147547E+04 3.82208566E+01 4 C7OOH6-ENE1 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1394.000 71 2.57672789E+01 3.18903347E-02-1.09710154E-05 1.70985761E-09-9.94668179E-14 2 -3.15381891E+04-1.03433875E+02-9.37185294E-02 9.21408532E-02-6.51620350E-05 3 2.41743761E-08-3.72105110E-12-2.24909392E+04 3.55961817E+01 4 C7OOH6-ENE2 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1366.000 71 2.98759565E+01 2.98918069E-02-1.06242455E-05 1.69241973E-09-9.99676846E-14 2 -3.64522429E+04-1.09146563E+02 1.83807493E+00 8.27202499E-02-4.28422287E-05 3 7.46812309E-09 2.64858200E-13-2.54413243E+04 4.59471375E+01 4 C7OOH6-ENE3 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1393.000 71 2.53210759E+01 3.22132100E-02-1.10705717E-05 1.72421381E-09-1.00256317E-13 2 -3.21978136E+04-1.02309679E+02-1.12338380E-01 9.01605661E-02-6.15300603E-05 3 2.17905129E-08-3.18451440E-12-2.31799076E+04 3.48679220E+01 4 C7OOH6-ENE4 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1389.000 71 2.79947215E+01 2.98425414E-02-1.02386756E-05 1.59350951E-09-9.26306646E-14 2 -3.06427879E+04-1.15923550E+02-1.32494364E+00 1.01681506E-01-7.89221277E-05 3 3.20238048E-08-5.33131442E-12-2.07651908E+04 4.04077077E+01 4 C7OOH6-ENE5 10/15/ THERMC 7H 14O 2 0G 300.000 5000.000 1395.000 71 2.90621559E+01 2.88648716E-02-9.88286331E-06 1.53581580E-09-8.91773873E-14 2 -3.43179119E+04-1.22166941E+02-2.70732614E+00 1.12065806E-01-9.53610233E-05 3 4.20641066E-08-7.47642060E-12-2.41708127E+04 4.52905450E+01 4 C6H11-3 2/14/95 THERMC 6H 11 0 0G 300.000 5000.000 1386.000 41 1.73527250E+01 2.53634107E-02-8.79447761E-06 1.37788375E-09-8.04501650E-14 2 6.04524394E+02-6.87008345E+01-1.29604942E+00 6.47529387E-02-3.96696796E-05 3 1.20760450E-08-1.46732251E-12 7.56892616E+03 3.30542358E+01 4 END