THERMO
R1                      H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.23080117E+01 4.30154232E-02-1.67856007E-05 3.00227411E-09-2.01965725E-13    2
-3.82430222E+04-9.29715887E+01-1.23967545E+00 9.27573992E-02-3.01701483E-05    3
-2.95086464E-08 1.94121582E-11-3.09303944E+04 3.25372550E+01                   4
TS1                     H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.30925423E+01 4.27952568E-02-1.68431743E-05 3.03085713E-09-2.04782083E-13    2
-2.24822434E+04-9.76604301E+01-2.84184757E+00 9.76747914E-02-3.24637290E-05    3
-3.11630647E-08 2.05718158E-11-1.44203325E+04 4.05832746E+01                   4
P1                      H  12C   7O   2    0g    300.00   5000.00 1000.00      1
 1.82629417E+01 3.92199268E-02-1.52884393E-05 2.73278086E-09-1.83764797E-13    2
-2.38036171E+04-7.34262603E+01-3.60428965E+00 8.50927363E-02-2.61500935E-05    3
-2.96577597E-08 1.89849638E-11-1.70161792E+04 4.31565493E+01                   4
R2                      H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.45317770E+01 5.11348841E-02-2.04836936E-05 3.72445339E-09-2.53288310E-13    2
-3.85214707E+04-1.05460558E+02-2.58673142E+00 1.02054383E-01-1.92473544E-05    3
-4.85288609E-08 2.68432600E-11-2.96717637E+04 4.09242719E+01                   4
TS2                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.47514309E+01 5.03953692E-02-2.01796527E-05 3.66824246E-09-2.49422250E-13    2
-2.37149055E+04-1.05632023E+02-2.23430524E+00 1.03228480E-01-2.59950363E-05    3
-4.05587582E-08 2.38269810E-11-1.50059779E+04 3.95284131E+01                   4
P2                      H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.98435098E+01 4.70534008E-02-1.87575786E-05 3.39896697E-09-2.30582233E-13    2
-2.62094257E+04-8.17296836E+01-2.73205388E+00 8.88503374E-02-1.62016983E-05    3
-4.15781119E-08 2.28630517E-11-1.87946770E+04 4.03177675E+01                   4
R3                      H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.71174265E+01 5.73401230E-02-2.30616846E-05 4.20379871E-09-2.86366545E-13    2
-4.56699312E+04-1.19946733E+02-2.98469771E+00 1.14725505E-01-2.55916605E-05    3
-4.85797871E-08 2.76055810E-11-3.58462819E+04 4.24365542E+01                   4
TS3                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.72367199E+01 5.67315673E-02-2.28182491E-05 4.15958886E-09-2.83362866E-13    2
-3.00717801E+04-1.20392410E+02-3.59128346E+00 1.19745731E-01-3.87524618E-05    3
-3.56000353E-08 2.30858419E-11-2.02194313E+04 4.48684429E+01                   4
P3                      H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.24524356E+01 5.32268608E-02-2.13206960E-05 3.87536036E-09-2.63448491E-13    2
-3.21188438E+04-9.57394778E+01-3.10902438E+00 1.01174968E-01-2.13707233E-05    3
-4.30250409E-08 2.41757311E-11-2.37190647E+04 4.23835343E+01                   4
R4                      H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.96143986E+01 6.03424733E-02-2.36005000E-05 4.22787530E-09-2.84735735E-13    2
-4.69079744E+04-1.30210248E+02-2.65287433E+00 1.19175245E-01-1.14057812E-05    3
-7.41170840E-08 3.91811603E-11-3.64728848E+04 4.39499159E+01                   4
TS4                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.98001003E+01 6.04035340E-02-2.36895461E-05 4.25210196E-09-2.86770530E-13    2
-3.07434207E+04-1.31712354E+02-3.60920901E+00 1.23001960E-01-1.70670631E-05    3
-6.97269347E-08 3.77578691E-11-1.99999699E+04 4.82559180E+01                   4
P4                      H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.58888723E+01 5.61474677E-02-2.19202237E-05 3.92217318E-09-2.63930568E-13    2
-3.39689585E+04-1.14681676E+02-5.09518310E+00 1.14973872E-01-1.66807889E-05    3
-6.51836666E-08 3.56516198E-11-2.40917668E+04 5.19103298E+01                   4
R5                      H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.43902233E+01 4.91803344E-02-1.92246829E-05 3.44273278E-09-2.31799630E-13    2
-3.90252211E+04-1.04288822E+02-2.90200909E+00 1.04224649E-01-2.59281680E-05    3
-4.42177067E-08 2.62812967E-11-3.04436940E+04 4.17626215E+01                   4
TS5                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.51087156E+01 4.85525487E-02-1.89965324E-05 3.40435514E-09-2.29346436E-13    2
-2.41212366E+04-1.06731773E+02-2.61454586E+00 1.06021359E-01-3.11566936E-05    3
-3.88052093E-08 2.42952206E-11-1.54670031E+04 4.12811597E+01                   4
P5                      H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 2.11559878E+01 4.43900343E-02-1.72773919E-05 3.08502268E-09-2.07294220E-13    2
-2.73102916E+04-8.89037908E+01-4.07614207E+00 9.80058507E-02-3.12912712E-05    3
-3.33118754E-08 2.17333059E-11-1.95348837E+04 4.53944634E+01                   4
R6                      H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.68491338E+01 5.49615216E-02-2.15070386E-05 3.85435380E-09-2.59657014E-13    2
-4.02886451E+04-1.15085733E+02-2.24557918E+00 1.06665449E-01-6.50619662E-06    3
-7.08695460E-08 3.67455340E-11-3.08065106E+04 4.22975084E+01                   4
TS6                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.74038823E+01 5.45245857E-02-2.13620527E-05 3.83183291E-09-2.58314147E-13    2
-2.58060091E+04-1.17453622E+02-2.09697591E+00 1.08302154E-01-1.09227001E-05    3
-6.63063798E-08 3.50537748E-11-1.62420018E+04 4.18367867E+01                   4
P6                      H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.34474501E+01 5.03946238E-02-1.96628328E-05 3.51691211E-09-2.36597706E-13    2
-2.96608961E+04-1.00614908E+02-3.85179122E+00 1.01598405E-01-1.32833472E-05    3
-5.90799268E-08 3.19789512E-11-2.09201692E+04 4.63363878E+01                   4
R7                      H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.94608311E+01 6.05523024E-02-2.37013070E-05 4.24838915E-09-2.86239494E-13    2
-4.44454546E+04-1.28113066E+02-2.63824293E+00 1.16609775E-01-3.78018465E-06    3
-8.20494279E-08 4.20129200E-11-3.39453808E+04 4.57392884E+01                   4
TS7                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.99677121E+01 6.01529435E-02-2.35690265E-05 4.22790132E-09-2.85022054E-13    2
-2.89808102E+04-1.29987361E+02-2.68341039E+00 1.19160479E-01-1.01175801E-05    3
-7.56913645E-08 3.97055535E-11-1.83802161E+04 4.64139575E+01                   4
P7                      H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.49489737E+01 5.69659646E-02-2.22186894E-05 3.97265352E-09-2.67175911E-13    2
-3.37441824E+04-1.06707553E+02-2.96102543E+00 1.03796668E-01 9.08993002E-07    3
-7.71962212E-08 3.87440468E-11-2.45092926E+04 4.49483462E+01                   4
R8                      H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.71129672E+01 5.73451220E-02-2.30638619E-05 4.20421749E-09-2.86396168E-13    2
-4.56702866E+04-1.20037108E+02-3.04933718E+00 1.15026022E-01-2.61571323E-05    3
-4.80950222E-08 2.74490873E-11-3.58362496E+04 4.26256794E+01                   4
TS8                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.73383710E+01 5.66138888E-02-2.27664671E-05 4.14959412E-09-2.82655024E-13    2
-3.03683137E+04-1.19413362E+02-1.56338138E+00 1.10775020E-01-2.29047897E-05    3
-4.84060584E-08 2.70148836E-11-2.08675166E+04 3.67799523E+01                   4
P8                      H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.23104876E+01 5.33990390E-02-2.13969508E-05 3.89001106E-09-2.64478330E-13    2
-3.21221855E+04-9.48938184E+01-2.02354174E+00 9.62494966E-02-1.35234870E-05    3
-4.84716491E-08 2.55818346E-11-2.39584175E+04 3.73547896E+01                   4
R9                      H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.71110297E+01 5.73472953E-02-2.30648088E-05 4.20439966E-09-2.86409056E-13    2
-4.56704529E+04-1.20312883E+02-3.07868352E+00 1.15163715E-01-2.64177492E-05    3
-4.78707101E-08 2.73764683E-11-3.58317240E+04 4.24769911E+01                   4
TS9                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.73383710E+01 5.66138888E-02-2.27664671E-05 4.14959412E-09-2.82655024E-13    2
-3.03683137E+04-1.19413362E+02-1.56338138E+00 1.10775020E-01-2.29047897E-05    3
-4.84060584E-08 2.70148836E-11-2.08675166E+04 3.67799523E+01                   4
P9                      H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.23104876E+01 5.33990390E-02-2.13969508E-05 3.89001106E-09-2.64478330E-13    2
-3.21221855E+04-9.48938184E+01-2.02354174E+00 9.62494966E-02-1.35234870E-05    3
-4.84716491E-08 2.55818346E-11-2.39584175E+04 3.73547896E+01                   4
R10                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.93416672E+01 6.38111050E-02-2.57355251E-05 4.70037032E-09-3.20644902E-13    2
-4.72877575E+04-1.29732596E+02-2.43762155E+00 1.15766307E-01-2.43548160E-06    3
-7.77560710E-08 3.85043620E-11-3.64568915E+04 4.39010316E+01                   4
TS10                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.94032442E+01 6.16167116E-02-2.43774318E-05 4.40088048E-09-2.97980331E-13    2
-3.14524534E+04-1.29020888E+02-1.02403201E+00 1.12516133E-01-3.48192528E-06    3
-7.49692441E-08 3.75679817E-11-2.12185086E+04 3.67489899E+01                   4
P10                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.40598135E+01 6.01005598E-02-2.39873200E-05 4.35098887E-09-2.95402288E-13    2
-3.46810770E+04-1.03963573E+02-1.65452606E+00 9.80062356E-02 7.43698964E-06    3
-7.56119820E-08 3.59149050E-11-2.56923097E+04 3.75927640E+01                   4
R11                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.93404408E+01 6.38124808E-02-2.57361246E-05 4.70048566E-09-3.20653062E-13    2
-4.72878649E+04-1.30130525E+02-2.45641346E+00 1.15854688E-01-2.60301436E-06    3
-7.76117296E-08 3.84575990E-11-3.64539983E+04 4.35845142E+01                   4
TS11                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.94032442E+01 6.16167116E-02-2.43774318E-05 4.40088048E-09-2.97980331E-13    2
-3.14524534E+04-1.29020888E+02-1.02403201E+00 1.12516133E-01-3.48192528E-06    3
-7.49692441E-08 3.75679817E-11-2.12185086E+04 3.67489899E+01                   4
P11                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.40598135E+01 6.01005598E-02-2.39873200E-05 4.35098887E-09-2.95402288E-13    2
-3.46810770E+04-1.03963573E+02-1.65452606E+00 9.80062356E-02 7.43698964E-06    3
-7.56119820E-08 3.59149050E-11-2.56923097E+04 3.75927640E+01                   4
R12                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.96096465E+01 6.34597532E-02-2.55717409E-05 4.66774205E-09-3.18289410E-13    2
-4.95940458E+04-1.33325753E+02-2.86697824E+00 1.20891848E-01-1.51273364E-05    3
-6.55246660E-08 3.43192404E-11-3.87468803E+04 4.30355265E+01                   4
TS12                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.98701527E+01 6.26878973E-02-2.52564791E-05 4.60967346E-09-3.14304571E-13    2
-3.40687655E+04-1.32812248E+02-1.33488794E+00 1.16687128E-01-1.21926856E-05    3
-6.54618469E-08 3.37457150E-11-2.35638245E+04 3.69934196E+01                   4
P12                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.48210356E+01 5.94842165E-02-2.38891798E-05 4.35024054E-09-2.96126877E-13    2
-3.57328433E+04-1.07574734E+02-1.96722552E+00 1.02784555E-01-3.74775618E-06    3
-6.48917054E-08 3.21504598E-11-2.65349426E+04 3.90129018E+01                   4
R13                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.92983594E+01 6.35238254E-02-2.55423437E-05 4.65621459E-09-3.17227872E-13    2
-4.60390844E+04-1.30385224E+02-2.55725950E+00 1.16427848E-01-3.34214329E-06    3
-7.81171462E-08 3.90570888E-11-3.52691794E+04 4.33464852E+01                   4
TS13                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.90890169E+01 6.28867955E-02-2.50785160E-05 4.54716954E-09-3.08664448E-13    2
-3.11607950E+04-1.27825780E+02-1.74608785E+00 1.16804044E-01-1.11969076E-05    3
-6.82884126E-08 3.54208989E-11-2.08975561E+04 3.96048672E+01                   4
P13                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.41241785E+01 5.96301214E-02-2.36977236E-05 4.28622814E-09-2.90429073E-13    2
-3.44150561E+04-1.03049012E+02-2.20921167E+00 1.02081488E-01-7.84818015E-07    3
-6.97049353E-08 3.45394831E-11-2.54580729E+04 4.08502229E+01                   4
R14                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.50508758E+01 5.05045193E-02-2.01999326E-05 3.66900931E-09-2.49333635E-13    2
-4.20988308E+04-1.06572050E+02-2.06019770E+00 1.04401702E-01-2.83566250E-05    3
-3.85269954E-08 2.31993028E-11-3.33980802E+04 3.90410527E+01                   4
TS14                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.45250282E+01 4.99139799E-02-1.97346972E-05 3.56118518E-09-2.41053177E-13    2
-2.58037941E+04-1.03838296E+02-3.77299939E-01 9.33528995E-02-8.46915547E-06    3
-5.49029390E-08 2.83095590E-11-1.75087014E+04 3.14133785E+01                   4
P14                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.93335709E+01 4.65852696E-02-1.82445611E-05 3.27013602E-09-2.20269792E-13    2
-2.74250222E+04-7.76863206E+01-2.09788860E+00 9.03070628E-02-2.81778750E-05    3
-2.65514245E-08 1.71460009E-11-2.05938511E+04 3.71616391E+01                   4
R15                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.75407395E+01 5.66359604E-02-2.27171288E-05 4.13454105E-09-2.81378165E-13    2
-4.58922141E+04-1.19020518E+02-1.72383819E+00 1.09318320E-01-1.52924090E-05    3
-5.78105336E-08 3.06867368E-11-3.61969577E+04 3.95885542E+01                   4
TS15                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.64637284E+01 5.73513964E-02-2.29146670E-05 4.15954401E-09-2.82557773E-13    2
-2.95117379E+04-1.14304830E+02-1.10063321E+00 1.05925372E-01-1.31963701E-05    3
-5.66731257E-08 2.96888644E-11-2.03049023E+04 3.54006207E+01                   4
P15                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.24068718E+01 5.25295595E-02-2.07896218E-05 3.75357149E-09-2.54152381E-13    2
-3.13783636E+04-9.42016322E+01-1.85289347E+00 9.25220216E-02-3.56264140E-06    3
-5.90497273E-08 2.94717798E-11-2.31418175E+04 3.82275263E+01                   4
R16                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.63552976E+01 5.73067733E-02-2.28591623E-05 4.14499127E-09-2.81361116E-13    2
-4.54554791E+04-1.12985875E+02-2.53448630E+00 1.11370261E-01-2.13042918E-05    3
-5.15267640E-08 2.85305243E-11-3.60047465E+04 4.30375533E+01                   4
TS16                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.64637284E+01 5.73513964E-02-2.29146670E-05 4.15954401E-09-2.82557773E-13    2
-2.95117379E+04-1.14304830E+02-1.10063321E+00 1.05925372E-01-1.31963701E-05    3
-5.66731257E-08 2.96888644E-11-2.03049023E+04 3.54006207E+01                   4
P16                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.24068718E+01 5.25295595E-02-2.07896218E-05 3.75357149E-09-2.54152381E-13    2
-3.13783636E+04-9.42016322E+01-1.85289347E+00 9.25220216E-02-3.56264140E-06    3
-5.90497273E-08 2.94717798E-11-2.31418175E+04 3.82275263E+01                   4
R17                     H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.16181722E+01 4.56475906E-02-1.82810588E-05 3.32282650E-09-2.25901588E-13    2
-3.22791765E+04-8.90155785E+01-2.98909438E+00 9.41891738E-02-2.39977749E-05    3
-3.72831804E-08 2.20567206E-11-2.43783302E+04 4.32034415E+01                   4
TS17                    H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.19970896E+01 4.51805670E-02-1.80715411E-05 3.28214906E-09-2.23017931E-13    2
-1.86780485E+04-9.08739766E+01-1.65620142E+00 9.15846699E-02-2.33951030E-05    3
-3.53502548E-08 2.08770661E-11-1.10497020E+04 3.63346913E+01                   4
P17                     H  12C   7O   2    0g    300.00   5000.00 1000.00      1
 1.69959518E+01 4.19746330E-02-1.67141874E-05 3.02578475E-09-2.05106596E-13    2
-2.31613886E+04-6.69435261E+01-2.82654131E+00 8.03445313E-02-1.96896432E-05    3
-3.09596186E-08 1.81143750E-11-1.67309623E+04 3.98141902E+01                   4
R18                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.39017771E+01 5.14784707E-02-2.05466690E-05 3.72647108E-09-2.52965475E-13    2
-3.81966299E+04-1.01824779E+02-2.98300132E+00 1.07043928E-01-3.53672075E-05    3
-3.09488804E-08 2.04433556E-11-2.96645339E+04 4.20702206E+01                   4
TS18                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.40403471E+01 5.11964053E-02-2.03979199E-05 3.69521228E-09-2.50644669E-13    2
-2.43598788E+04-1.00441677E+02-1.22800207E-01 9.52978457E-02-1.62396910E-05    3
-4.54135709E-08 2.46452312E-11-1.63745817E+04 3.03896271E+01                   4
P18                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.89483046E+01 4.80913635E-02-1.90841262E-05 3.44716827E-09-2.33318726E-13    2
-2.70629438E+04-7.62011667E+01-1.63497773E+00 8.52388150E-02-1.45047491E-05    3
-3.93946330E-08 2.13590241E-11-2.02229535E+04 3.53864204E+01                   4
R19                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.39004782E+01 5.14799279E-02-2.05473040E-05 3.72659324E-09-2.52974118E-13    2
-3.81967435E+04-1.02222262E+02-3.00289348E+00 1.07137473E-01-3.55445147E-05    3
-3.07961254E-08 2.03938686E-11-2.96614711E+04 4.17589140E+01                   4
TS19                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.40403471E+01 5.11964053E-02-2.03979199E-05 3.69521228E-09-2.50644669E-13    2
-2.43598788E+04-1.00441677E+02-1.22800207E-01 9.52978457E-02-1.62396910E-05    3
-4.54135709E-08 2.46452312E-11-1.63745817E+04 3.03896271E+01                   4
P19                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.89483046E+01 4.80913635E-02-1.90841262E-05 3.44716827E-09-2.33318726E-13    2
-2.70629438E+04-7.62011667E+01-1.63497773E+00 8.52388150E-02-1.45047491E-05    3
-3.93946330E-08 2.13590241E-11-2.02229535E+04 3.53864204E+01                   4
R20                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.92273032E+01 6.39337995E-02-2.57870566E-05 4.71000840E-09-3.21312276E-13    2
-4.60820072E+04-1.29672295E+02-1.97191072E+00 1.12703672E-01 3.93500776E-06    3
-8.34171248E-08 4.03578315E-11-3.53325220E+04 4.13551687E+01                   4
TS20                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.91604264E+01 6.18414304E-02-2.44648226E-05 4.41653698E-09-2.99036962E-13    2
-3.20527079E+04-1.25343193E+02-4.69579905E-01 1.08221406E-01 5.65115277E-06    3
-8.31141932E-08 4.02294354E-11-2.19223332E+04 3.68829454E+01                   4
P20                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.40546020E+01 6.00572423E-02-2.39578502E-05 4.34418174E-09-2.94871511E-13    2
-3.45602378E+04-1.02082807E+02-1.33847567E+00 9.72739720E-02 7.54006060E-06    3
-7.49331657E-08 3.55241251E-11-2.56657154E+04 3.77760282E+01                   4
R21                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.69433401E+01 5.75637609E-02-2.31649302E-05 4.22425048E-09-2.87837530E-13    2
-4.12065028E+04-1.17544192E+02-1.58757395E+00 1.05671888E-01-6.22188553E-06    3
-6.61643212E-08 3.34428619E-11-3.15734272E+04 3.79343906E+01                   4
TS21                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.74198587E+01 5.50111495E-02-2.18016857E-05 3.94059699E-09-2.67043240E-13    2
-2.63323098E+04-1.18352194E+02-1.18304807E+00 1.04965400E-01-8.40721484E-06    3
-6.42741298E-08 3.30784820E-11-1.68300937E+04 3.69280703E+01                   4
P21                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.23836401E+01 5.31262830E-02-2.12481873E-05 3.85920882E-09-2.62242637E-13    2
-2.96320718E+04-9.19879581E+01-1.15908092E+00 8.90934439E-02 3.77634742E-06    3
-6.55156782E-08 3.15412361E-11-2.14731554E+04 3.72839949E+01                   4
R22                     H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.17015386E+01 4.46369401E-02-1.76454045E-05 3.17982889E-09-2.14900237E-13    2
-3.65614076E+04-8.69423587E+01-1.64379429E+00 9.43089650E-02-3.33358456E-05    3
-2.54092930E-08 1.76420542E-11-2.92783576E+04 3.75215234E+01                   4
TS22                    H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.28504038E+01 4.29319994E-02-1.69914385E-05 3.06857415E-09-2.07834737E-13    2
-2.26417255E+04-9.34818347E+01 1.03034671E+00 7.97470256E-02-3.05390844E-06    3
-5.25978061E-08 2.64299156E-11-1.53196178E+04 2.53176361E+01                   4
P22                     H  12C   7O   2    0g    300.00   5000.00 1000.00      1
 1.71744213E+01 4.12907070E-02-1.64335897E-05 2.97373880E-09-2.01510565E-13    2
-2.47032265E+04-6.61918247E+01-1.31644024E+00 7.66152962E-02-1.83914249E-05    3
-2.90534152E-08 1.68570519E-11-1.86574911E+04 3.35673306E+01                   4
R23                     H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.25072829E+01 4.45808797E-02-1.78034716E-05 3.22978484E-09-2.19277088E-13    2
-3.82813696E+04-9.48355594E+01-2.76837191E+00 1.01219103E-01-4.47261095E-05    3
-1.61687567E-08 1.46357279E-11-3.05064040E+04 3.92966793E+01                   4
TS23                    H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.34605145E+01 4.22333736E-02-1.66863783E-05 3.01005554E-09-2.03711360E-13    2
-2.25093295E+04-9.85082870E+01-2.07790409E+00 9.86870602E-02-4.07593688E-05    3
-2.03808620E-08 1.62493972E-11-1.46489725E+04 3.71321363E+01                   4
P23                     H  12C   7O   2    0g    300.00   5000.00 1000.00      1
 1.75188529E+01 4.08489136E-02-1.62302069E-05 2.93355403E-09-1.98626346E-13    2
-2.47820261E+04-6.92096647E+01-2.81135906E+00 8.65588061E-02-3.90732818E-05    3
-1.09153505E-08 1.10216881E-11-1.85039886E+04 3.87136430E+01                   4
R24                     H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.25109338E+01 4.45768054E-02-1.78017019E-05 3.22944505E-09-2.19253082E-13    2
-3.82812447E+04-9.50982838E+01-2.73237240E+00 1.01068254E-01-4.44620315E-05    3
-1.63836619E-08 1.47024714E-11-3.05123736E+04 3.88809679E+01                   4
TS24                    H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.30037936E+01 4.27310048E-02-1.68973029E-05 3.04974265E-09-2.06470982E-13    2
-2.27887907E+04-9.67426173E+01-1.45756144E+00 9.31589322E-02-2.90306955E-05    3
-3.05623035E-08 1.94757788E-11-1.50635647E+04 3.41127988E+01                   4
P24                     H  12C   7O   2    0g    300.00   5000.00 1000.00      1
 1.75738940E+01 4.07895334E-02-1.62052538E-05 2.92889047E-09-1.98303748E-13    2
-2.52982550E+04-6.96111686E+01-2.88595073E+00 8.71732188E-02-4.03134762E-05    3
-9.88339436E-09 1.07065312E-11-1.90017697E+04 3.88997859E+01                   4
R25                     H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.21813542E+01 4.49841414E-02-1.79865950E-05 3.26573860E-09-2.21849163E-13    2
-3.64657758E+04-9.22884232E+01-2.07544004E+00 9.46797807E-02-2.94821650E-05    3
-3.04391776E-08 1.94357691E-11-2.87653856E+04 3.76021121E+01                   4
TS25                    H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.26570274E+01 4.31586762E-02-1.70912405E-05 3.08779153E-09-2.09191740E-13    2
-2.10894015E+04-9.46816287E+01-9.09838462E-01 8.72545715E-02-1.49817159E-05    3
-4.37890860E-08 2.39318534E-11-1.34165891E+04 3.25114714E+01                   4
P25                     H  12C   7O   2    0g    300.00   5000.00 1000.00      1
 1.72446557E+01 4.12017173E-02-1.63933056E-05 2.96589578E-09-2.00954360E-13    2
-2.36780029E+04-6.71998714E+01-1.99644953E+00 7.96213542E-02-2.31104727E-05    3
-2.58309476E-08 1.60423657E-11-1.74875570E+04 3.61535329E+01                   4
R26                     H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.21813542E+01 4.49841414E-02-1.79865950E-05 3.26573860E-09-2.21849163E-13    2
-3.64657758E+04-9.22884232E+01-2.07544004E+00 9.46797807E-02-2.94821650E-05    3
-3.04391776E-08 1.94357691E-11-2.87653856E+04 3.76021121E+01                   4
TS26                    H  13C   7O   4    0g    300.00   5000.00 1000.00      1
 2.26570274E+01 4.31586762E-02-1.70912405E-05 3.08779153E-09-2.09191740E-13    2
-2.10894015E+04-9.46816287E+01-9.09838462E-01 8.72545715E-02-1.49817159E-05    3
-4.37890860E-08 2.39318534E-11-1.34165891E+04 3.25114714E+01                   4
P26                     H  12C   7O   2    0g    300.00   5000.00 1000.00      1
 1.72609178E+01 4.11835037E-02-1.63853771E-05 2.96437136E-09-2.00846553E-13    2
-2.36768583E+04-6.68943764E+01-1.77622055E+00 7.86126585E-02-2.12306331E-05    3
-2.74319122E-08 1.65567684E-11-1.75220885E+04 3.55091997E+01                   4
R27                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.37293038E+01 5.00446037E-02-1.96249773E-05 3.52199942E-09-2.37493464E-13    2
-4.15575668E+04-9.78549594E+01-2.87420379E+00 1.03877748E-01-2.88342014E-05    3
-3.81439956E-08 2.33022495E-11-3.31288017E+04 4.46471352E+01                   4
TS27                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.43527941E+01 4.93119591E-02-1.94290275E-05 3.49840109E-09-2.36464739E-13    2
-2.56535850E+04-9.98902624E+01 5.90368050E-01 8.67024601E-02 4.42474720E-06    3
-6.65925774E-08 3.22659824E-11-1.75530443E+04 3.01302923E+01                   4
P27                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.97264731E+01 4.72009062E-02-1.88236940E-05 3.41172107E-09-2.31479721E-13    2
-2.82482061E+04-7.94406406E+01-1.39196367E+00 8.35893135E-02-9.02449392E-06    3
-4.56020449E-08 2.36056434E-11-2.11403338E+04 3.54878325E+01                   4
R28                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.31469903E+01 5.10161178E-02-2.01085712E-05 3.62071042E-09-2.44692269E-13    2
-3.80597109E+04-9.29496084E+01-2.72642143E+00 9.99375581E-02-1.91368840E-05    3
-4.68092662E-08 2.60550920E-11-2.96616111E+04 4.65594949E+01                   4
TS28                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.55729313E+01 4.86985649E-02-1.93293884E-05 3.49766837E-09-2.37225844E-13    2
-2.28120036E+04-1.09002135E+02-1.70187268E+00 9.94673865E-02-1.60020228E-05    3
-5.17253291E-08 2.80532656E-11-1.39221103E+04 3.82612106E+01                   4
P28                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.98499990E+01 4.70591439E-02-1.87620729E-05 3.39996480E-09-2.30655457E-13    2
-2.68145727E+04-8.05598866E+01-1.75403118E+00 8.51992067E-02-1.10755363E-05    3
-4.47245062E-08 2.35647690E-11-1.96065870E+04 3.67417534E+01                   4
R29                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.50774581E+01 5.04671754E-02-2.01822591E-05 3.66548099E-09-2.49079346E-13    2
-4.19831054E+04-1.08603245E+02-2.38778885E+00 1.06040541E-01-3.13213631E-05    3
-3.61629705E-08 2.24924970E-11-3.32225549E+04 3.86590721E+01                   4
TS29                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.56515358E+01 4.85919167E-02-1.92789086E-05 3.48751774E-09-2.36488244E-13    2
-2.62562748E+04-1.09752355E+02-6.62822219E-01 9.65895383E-02-1.36517233E-05    3
-5.17619579E-08 2.75911318E-11-1.76083465E+04 3.26226471E+01                   4
P29                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 2.01008747E+01 4.67245658E-02-1.86049547E-05 3.36853966E-09-2.28381308E-13    2
-2.86478618E+04-8.26183675E+01-2.38896001E+00 9.12274667E-02-2.53944790E-05    3
-3.11457751E-08 1.89562125E-11-2.13898084E+04 3.82942026E+01                   4
R30                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.50847729E+01 5.04589704E-02-2.01786841E-05 3.66479322E-09-2.49030688E-13    2
-4.19824760E+04-1.07261903E+02-2.27685389E+00 1.05519893E-01-3.03357496E-05    3
-3.70113822E-08 2.27671850E-11-3.32396594E+04 3.95199804E+01                   4
TS30                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.55183631E+01 4.87555311E-02-1.93517989E-05 3.50157705E-09-2.37479496E-13    2
-2.64679527E+04-1.09521778E+02-1.17606821E+00 9.84287615E-02-1.66862445E-05    3
-4.93315913E-08 2.68391208E-11-1.77445848E+04 3.46659996E+01                   4
P30                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 2.01598700E+01 4.66569426E-02-1.85756398E-05 3.36295914E-09-2.27990657E-13    2
-2.89234215E+04-8.22824576E+01-2.38441961E+00 9.14542243E-02-2.58862071E-05    3
-3.07700610E-08 1.88567125E-11-2.16596995E+04 3.88703721E+01                   4
R31                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.31087888E+01 5.18707226E-02-2.06159583E-05 3.72942999E-09-2.52746961E-13    2
-3.96782889E+04-9.55831658E+01-1.93205700E+00 9.35055592E-02-2.03963092E-06    3
-6.36933868E-08 3.18860852E-11-3.12582663E+04 4.08627782E+01                   4
TS31                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.48618981E+01 4.95390394E-02-1.97022525E-05 3.56986179E-09-2.42343428E-13    2
-2.47045015E+04-1.05215836E+02-1.37476356E+00 9.29857201E-02-2.81029979E-07    3
-6.62607484E-08 3.28435287E-11-1.58642826E+04 3.78211590E+01                   4
P31                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.98461557E+01 4.70700160E-02-1.87680806E-05 3.40124285E-09-2.30750616E-13    2
-2.72621260E+04-8.07009508E+01-1.64777018E+00 8.46720018E-02-1.00822473E-05    3
-4.55564274E-08 2.38265593E-11-2.00724055E+04 3.60907790E+01                   4
R32                     H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.47443292E+01 5.08910974E-02-2.03771067E-05 3.70398256E-09-2.51844286E-13    2
-4.01852422E+04-1.05343547E+02-1.81387386E+00 9.99912945E-02-1.69073644E-05    3
-4.97555622E-08 2.70774209E-11-3.14753111E+04 3.82177303E+01                   4
TS32                    H  15C   8O   4    0g    300.00   5000.00 1000.00      1
 2.54034444E+01 4.88411049E-02-1.93813698E-05 3.50658845E-09-2.37810328E-13    2
-2.40096480E+04-1.07688181E+02 1.41278010E-01 8.96466163E-02 2.53261384E-06    3
-6.71489343E-08 3.28499022E-11-1.54477269E+04 3.02870781E+01                   4
P32                     H  14C   8O   2    0g    300.00   5000.00 1000.00      1
 1.97849875E+01 4.71277724E-02-1.87905375E-05 3.40523887E-09-2.31018085E-13    2
-2.65834573E+04-7.99216885E+01-1.67064449E+00 8.45067196E-02-9.67643410E-06    3
-4.58953720E-08 2.39255549E-11-1.93974193E+04 3.67038773E+01                   4
R33                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.72429784E+01 5.72009745E-02-2.30017120E-05 4.19235731E-09-2.85562167E-13    2
-4.58061710E+04-1.19407801E+02-1.83331879E+00 1.10146505E-01-1.79798705E-05    3
-5.44880629E-08 2.93663343E-11-3.61833018E+04 3.80791093E+01                   4
TS33                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.76206607E+01 5.47710236E-02-2.16951729E-05 3.92001977E-09-2.65587866E-13    2
-2.96115204E+04-1.18071052E+02 7.62308842E-01 9.77150416E-02 2.59772951E-06    3
-7.20042624E-08 3.51576753E-11-2.04693757E+04 2.87700989E+01                   4
P33                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.22289661E+01 5.33199341E-02-2.13359055E-05 3.87634353E-09-2.63462221E-13    2
-3.19574613E+04-9.30966937E+01-9.45314921E-01 8.80231694E-02 4.92160310E-06    3
-6.56244978E-08 3.13270399E-11-2.38721387E+04 3.43725756E+01                   4
R34                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.69433401E+01 5.75637609E-02-2.31649302E-05 4.22425048E-09-2.87837530E-13    2
-4.12065028E+04-1.17544192E+02-1.58757395E+00 1.05671888E-01-6.22188553E-06    3
-6.61643212E-08 3.34428619E-11-3.15734272E+04 3.79343906E+01                   4
TS34                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.74198587E+01 5.50111495E-02-2.18016857E-05 3.94059699E-09-2.67043240E-13    2
-2.63323098E+04-1.18352194E+02-1.18304807E+00 1.04965400E-01-8.40721484E-06    3
-6.42741298E-08 3.30784820E-11-1.68300937E+04 3.69280703E+01                   4
P34                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.23836401E+01 5.31262830E-02-2.12481873E-05 3.85920882E-09-2.62242637E-13    2
-2.96320718E+04-9.19879581E+01-1.15908092E+00 8.90934439E-02 3.77634742E-06    3
-6.55156782E-08 3.15412361E-11-2.14731554E+04 3.72839949E+01                   4
R35                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.52778697E+01 5.89568537E-02-2.36584944E-05 4.30599875E-09-2.93012031E-13    2
-4.50983252E+04-1.06678315E+02-2.53750496E+00 1.06378172E-01-9.31660864E-06    3
-6.15784430E-08 3.15043147E-11-3.57092054E+04 4.48277224E+01                   4
TS35                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.72113313E+01 5.67389450E-02-2.28168431E-05 4.15881022E-09-2.83285212E-13    2
-2.97033872E+04-1.19037772E+02-1.54116347E+00 1.09963747E-01-2.09978511E-05    3
-5.01230825E-08 2.75700100E-11-2.02158312E+04 3.65185117E+01                   4
P35                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.22881932E+01 5.34281071E-02-2.14101902E-05 3.89259182E-09-2.64661339E-13    2
-3.23231783E+04-9.48801092E+01-2.23465944E+00 9.73032340E-02-1.56285211E-05    3
-4.65890154E-08 2.49572304E-11-2.41308045E+04 3.82234675E+01                   4
R36                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.72814835E+01 5.71519001E-02-2.29792705E-05 4.18794736E-09-2.85246999E-13    2
-4.56582921E+04-1.19229365E+02-1.99263616E+00 1.10998593E-01-1.94528467E-05    3
-5.34097492E-08 2.90762847E-11-3.60022525E+04 3.91823620E+01                   4
TS36                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.77205252E+01 5.46284761E-02-2.16259050E-05 3.90588374E-09-2.64551554E-13    2
-2.99725235E+04-1.21294454E+02-1.79760507E+00 1.11200806E-01-2.33698625E-05    3
-5.00103209E-08 2.82182585E-11-2.04193467E+04 3.77094415E+01                   4
P36                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.26499882E+01 5.27902009E-02-2.10940828E-05 3.82877964E-09-2.60057730E-13    2
-3.26677302E+04-9.60605085E+01-2.12005962E+00 9.67511646E-02-1.35786214E-05    3
-4.93832850E-08 2.61231298E-11-2.43980178E+04 3.84184913E+01                   4
R37                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.69252852E+01 5.76000955E-02-2.31843694E-05 4.22838828E-09-2.88147801E-13    2
-4.38926584E+04-1.17013521E+02-1.65614828E+00 1.05990123E-01-6.94345836E-06    3
-6.53929545E-08 3.31455603E-11-3.42484642E+04 3.87016011E+01                   4
TS37                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.74240185E+01 5.50178421E-02-2.18072121E-05 3.94195297E-09-2.67152225E-13    2
-2.82678172E+04-1.18087578E+02-9.31044116E-01 1.03850804E-01-6.51850599E-06    3
-6.56948765E-08 3.34795596E-11-1.88089662E+04 3.60284988E+01                   4
P37                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.23392296E+01 5.31993554E-02-2.12847451E-05 3.86671917E-09-2.62793461E-13    2
-3.10348719E+04-9.38721077E+01-1.36951585E+00 8.98849965E-02 2.41746489E-06    3
-6.43564047E-08 3.11581868E-11-2.28399695E+04 3.62009248E+01                   4
R38                     H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.69252852E+01 5.76000955E-02-2.31843694E-05 4.22838828E-09-2.88147801E-13    2
-4.38926584E+04-1.17013521E+02-1.65614828E+00 1.05990123E-01-6.94345836E-06    3
-6.53929545E-08 3.31455603E-11-3.42484642E+04 3.87016011E+01                   4
TS38                    H  17C   9O   4    0g    300.00   5000.00 1000.00      1
 2.68868622E+01 5.71434397E-02-2.30010315E-05 4.19501674E-09-2.85876905E-13    2
-2.78117419E+04-1.15368721E+02-6.36910980E-01 1.02416553E-01-3.90382020E-06    3
-6.59168273E-08 3.28417844E-11-1.84345841E+04 3.49696339E+01                   4
P38                     H  16C   9O   2    0g    300.00   5000.00 1000.00      1
 2.19804106E+01 5.38222791E-02-2.15919045E-05 3.92855937E-09-2.67247097E-13    2
-3.02712981E+04-9.22007066E+01-1.48992990E+00 9.04848587E-02 2.62878615E-07    3
-6.14861676E-08 2.99742897E-11-2.21542670E+04 3.65302737E+01                   4
R39                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.97278430E+01 6.33396562E-02-2.55224504E-05 4.65861530E-09-3.17660131E-13    2
-4.96131364E+04-1.33071759E+02-1.69490485E+00 1.16069816E-01-6.90119190E-06    3
-7.20176773E-08 3.62757436E-11-3.89645881E+04 3.82955758E+01                   4
TS39                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.94301877E+01 6.24830150E-02-2.50206856E-05 4.54895654E-09-3.09359320E-13    2
-3.32108090E+04-1.27653768E+02 2.10620909E-02 1.10182441E-01-2.24227679E-06    3
-7.31354469E-08 3.61596973E-11-2.31668944E+04 3.31261950E+01                   4
P39                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.44255113E+01 6.00136798E-02-2.41370494E-05 4.39963278E-09-2.99689524E-13    2
-3.56120566E+04-1.04689995E+02-7.91140775E-01 9.41745900E-02 1.44735405E-05    3
-8.08470809E-08 3.72486975E-11-2.65925422E+04 3.50045561E+01                   4
R40                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.94517564E+01 6.36859515E-02-2.56806443E-05 4.68977548E-09-3.19893780E-13    2
-4.61315039E+04-1.31167320E+02-1.44040692E+00 1.11690308E-01 4.59713038E-06    3
-8.34384993E-08 4.02640032E-11-3.54719007E+04 3.82513452E+01                   4
TS40                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.92612225E+01 6.34253040E-02-2.55868311E-05 4.67394420E-09-3.18872905E-13    2
-3.00432545E+04-1.28741347E+02-1.26420325E+00 1.11326915E-01 2.28827170E-06    3
-7.97042912E-08 3.86529842E-11-1.95130402E+04 3.86012752E+01                   4
P40                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.26057450E+01 5.97927396E-02-2.40377559E-05 4.38030683E-09-2.98316528E-13    2
-3.27525344E+04-9.63982402E+01-2.84996615E+00 9.45896496E-02 1.45525618E-05    3
-8.18078203E-08 3.78165176E-11-2.36829019E+04 4.44942959E+01                   4
R41                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.97645814E+01 6.32929318E-02-2.55011202E-05 4.65442927E-09-3.17361272E-13    2
-4.94584990E+04-1.32552333E+02-1.88386322E+00 1.17049404E-01-8.59726567E-06    3
-7.07583723E-08 3.59295917E-11-3.87714640E+04 3.98719712E+01                   4
TS41                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.97043466E+01 6.28671973E-02-2.53327809E-05 4.62411924E-09-3.15315023E-13    2
-3.35090366E+04-1.30804064E+02-1.30960491E+00 1.15446732E-01-9.06883802E-06    3
-6.84010071E-08 3.47263643E-11-2.30102147E+04 3.82400730E+01                   4
P41                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.47819210E+01 5.95569686E-02-2.39266948E-05 4.35804188E-09-2.96702495E-13    2
-3.61175130E+04-1.07147160E+02-1.98593635E+00 1.02703505E-01-3.54374147E-06    3
-6.49964986E-08 3.21538077E-11-2.69164008E+04 3.93689499E+01                   4
R42                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.97618618E+01 6.32959827E-02-2.55024495E-05 4.65468502E-09-3.17379366E-13    2
-4.94587354E+04-1.33228767E+02-1.92536314E+00 1.17244418E-01-8.96673235E-06    3
-7.04401659E-08 3.58265275E-11-3.87650710E+04 3.93753005E+01                   4
TS42                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.95719789E+01 6.30382573E-02-2.54106263E-05 4.63930665E-09-3.16393299E-13    2
-3.28433853E+04-1.31381469E+02-1.73309028E+00 1.16864801E-01-1.13437026E-05    3
-6.65730758E-08 3.41527964E-11-2.22834906E+04 3.90637788E+01                   4
P42                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.48472203E+01 5.94829924E-02-2.38947733E-05 4.35197786E-09-2.96278439E-13    2
-3.63762719E+04-1.07489180E+02-1.96813969E+00 1.02910835E-01-4.03318099E-06    3
-6.46081821E-08 3.20477152E-11-2.71717390E+04 3.92297020E+01                   4
R43                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.87546474E+01 6.44341319E-02-2.59978046E-05 4.74969315E-09-3.24079527E-13    2
-4.75633163E+04-1.25729794E+02-1.21498738E+00 1.05393274E-01 2.04557636E-05    3
-9.85166620E-08 4.53434362E-11-3.69283679E+04 4.00482779E+01                   4
TS43                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.92490428E+01 6.34499744E-02-2.56001703E-05 4.67680642E-09-3.19088796E-13    2
-3.20208043E+04-1.29327789E+02-1.34697718E+00 1.11773763E-01 1.26595768E-06    3
-7.86560906E-08 3.82643555E-11-2.14784724E+04 3.83333705E+01                   4
P43                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.45278030E+01 5.99011860E-02-2.40892193E-05 4.39062780E-09-2.99063642E-13    2
-3.47107928E+04-1.05492064E+02-1.29293147E+00 9.63773710E-02 1.13443985E-05    3
-7.90516261E-08 3.69113980E-11-2.55693025E+04 3.71316335E+01                   4
R44                     H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.87546474E+01 6.44341319E-02-2.59978046E-05 4.74969315E-09-3.24079527E-13    2
-4.75633163E+04-1.25729794E+02-1.21498738E+00 1.05393274E-01 2.04557636E-05    3
-9.85166620E-08 4.53434362E-11-3.69283679E+04 4.00482779E+01                   4
TS44                    H  19C  10O   4    0g    300.00   5000.00 1000.00      1
 2.94238013E+01 6.32318013E-02-2.55017609E-05 4.65764735E-09-3.17728449E-13    2
-3.12715750E+04-1.28125928E+02-4.59734170E-01 1.08362031E-01 7.10054570E-06    3
-8.34262183E-08 3.97629425E-11-2.08684548E+04 3.61486979E+01                   4
P44                     H  18C  10O   2    0g    300.00   5000.00 1000.00      1
 2.44898589E+01 5.99341678E-02-2.41011674E-05 4.39263374E-09-2.99191719E-13    2
-3.40360597E+04-1.03274502E+02-1.06903781E+00 9.51140612E-02 1.37741495E-05    3
-8.11053360E-08 3.75598700E-11-2.49379613E+04 3.81390065E+01                   4
HO2                     H   1O   2    0    0g    300.00   5000.00 1000.00      1
 3.72547564E+00 2.79006610E-03-1.01366820E-06 1.72250484E-10-1.11629338E-14    2
-3.15142878E+02 5.33195004E+00 3.78472281E+00-8.92557127E-04 1.04763579E-05    3
-1.22737203E-08 4.56619418E-12-1.68074795E+02 5.86354842E+00                   4
END