THERMO
   300.000  1000.000  5000.000
AR                      AR  1               G    200.00   6000.00 1000.00      1
 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
-7.45375000E+02 4.37967491E+00 2.50000000E+00 0.00000000E+00 0.00000000E+00    3
 0.00000000E+00 0.00000000E+00-7.45375000E+02 4.37967491E+00                   4
N2                      N   2               G    200.00   6000.00 1000.00      1
 2.95257637E+00 1.39690040E-03-4.92631603E-07 7.86010195E-11-4.60755204E-15    2
-9.23948688E+02 5.87188762E+00 3.53100528E+00-1.23660988E-04-5.02999433E-07    3
 2.43530612E-09-1.40881235E-12-1.04697628E+03 2.96747038E+00                   4
HE                      HE  1               G    200.00   6000.00 1000.00      1
 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
-7.45375000E+02 9.28723974E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00    3
 0.00000000E+00 0.00000000E+00-7.45375000E+02 9.28723974E-01                   4
H2                      H   2               G    200.00   6000.00 1000.00      1
 2.93286575E+00 8.26608026E-04-1.46402364E-07 1.54100414E-11-6.88804800E-16    2
-8.13065581E+02-1.02432865E+00 2.34433112E+00 7.98052075E-03-1.94781510E-05    3
 2.01572094E-08-7.37611761E-12-9.17935173E+02 6.83010238E-01                   4
H                       H   1               G    200.00   6000.00 1000.00      1
 2.50000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00 0.00000000E+00    2
 2.54736600E+04-4.46682850E-01 2.50000000E+00 0.00000000E+00 0.00000000E+00    3
 0.00000000E+00 0.00000000E+00 2.54736600E+04-4.46682850E-01                   
O2                      O   2               G    200.00   6000.00 1000.00      1
 3.66096065E+00 6.56365811E-04-1.41149627E-07 2.05797935E-11-1.29913436E-15    2
-1.21597718E+03 3.41536279E+00 3.78245636E+00-2.99673416E-03 9.84730201E-06    3
-9.68129509E-09 3.24372837E-12-1.06394356E+03 3.65767573E+00                   4
O                       O   1               G    200.00   6000.00 1000.00      1
 2.54363697E+00-2.73162486E-05-4.19029520E-09 4.95481845E-12-4.79553694E-16    2
 2.92260120E+04 4.92229457E+00 3.16826710E+00-3.27931884E-03 6.64306396E-06    3
-6.12806624E-09 2.11265971E-12 2.91222592E+04 2.05193346E+00                   4
H2O                     H   2O   1          G    200.00   6000.00 1000.00      1
 2.67703890E+00 2.97318160E-03-7.73768890E-07 9.44335140E-11-4.26899910E-15    2
-2.98858940E+04 6.88255000E+00 4.19863520E+00-2.03640170E-03 6.52034160E-06    3
-5.48792690E-09 1.77196800E-12-3.02937260E+04-8.49009010E-01                   4
OH                      H   1O   1          G     200.0    6000.0  1000.0      1
   2.83853033E0  1.10741289E-3 -2.94000209E-7 4.20698729E-11 -2.4228989E-15    2
   3.69780808E3   5.84494652E0   3.99198424E0 -2.40106655E-3  4.61664033E-6    3
 -3.87916306E-9 1.36319502E-12   3.36889836E3 -1.03998477E-1                   4
OHV                     H   1O   1          G     300.0    5000.0  1710.0      1
    2.8537604E0  1.02994334E-3 -2.32666477E-7 1.93750704E-11-3.15759847E-16    2
   5.03225473E4   5.76240468E0   3.41896226E0  3.19255801E-4 -3.08292717E-7    3
 3.64407494E-10-1.00195479E-13   5.00756946E4   2.51917016E0                   4
H2O2                    H   2O   2          G     200.0    6000.0  1000.0      1
   4.57977305E0  4.05326003E-3  -1.2984473E-6   1.982114E-10-1.13968792E-14    2
  -1.80071775E4  6.64970694E-1   4.31515149E0 -8.47390622E-4  1.76404323E-5    3
 -2.26762944E-8 9.08950158E-12  -1.77067437E4   3.27373319E0                   4
HO2                     H   1O   2          G     200.0    5000.0  1000.0      1
   4.17228741E0  1.88117627E-3 -3.46277286E-7 1.94657549E-11 1.76256905E-16    2
   3.10206839E1   2.95767672E0   4.30179807E0 -4.74912097E-3  2.11582905E-5    3
 -2.42763914E-8 9.29225225E-12   2.64018485E2    3.7166622E0                   4
HOCO                    H   1O   2C   1     G     200.0    6000.0  1000.0      1
   5.39206152E0  4.11221455E-3   -1.481949E-6  2.3987546E-10-1.43903104E-14    2
  -2.38606717E4  -2.23529091E0   2.92207919E0  7.62453859E-3  3.29884437E-6    3
 -1.07135205E-8 5.11587057E-12  -2.30281524E4   1.12925886E1                   4
CO                      O   1C   1          G     200.0    6000.0  1000.0      1
    3.0484859E0   1.3517281E-3  -4.8579405E-7  7.8853644E-11 -4.6980746E-15    2
   -1.4266117E4    6.0170977E0    3.5795335E0  -6.1035369E-4   1.0168143E-6    3
  9.0700586E-10 -9.0442449E-13   -1.4344086E4    3.5084093E0                   4
CO2                     O   2C   1          G     200.0    6000.0  1000.0      1
    4.6365111E0   2.7414569E-3  -9.9589759E-7  1.6038666E-10 -9.1619857E-15    2
   -4.9024904E4   -1.9348955E0     2.356813E0   8.9841299E-3  -7.1220632E-6    3
   2.4573008E-9 -1.4288548E-13   -4.8371971E4    9.9009035E0                   4
CH3O2H                  H   4O   2C   1     G     200.0    3000.0  1000.0      1
   4.20735213E0   1.5509466E-2 -7.66929578E-6  1.83432162E-9-1.72492118E-13    2
  -1.74303104E4   4.24021387E0   4.65854273E0  3.10653649E-4  4.25717961E-5    3
 -5.64767746E-8 2.26451339E-11  -1.70148766E4   4.93439159E0                   4
CH3O2                   H   3O   2C   1     G     200.0    3000.0  1000.0      1
   3.06355808E0  1.41402571E-2 -7.09719627E-6  1.72124732E-9-1.63773189E-13    2
  -1.24115232E2   1.06316786E1    5.5280458E0  -8.7739067E-3  5.35999599E-5    3
 -6.22370558E-8 2.35470499E-11  -1.16495256E2   1.56491488E0                   4
CH2O2H                  H   3O   2C   1     G     300.0    5000.0  1410.0      1
   9.24697852E0  4.60845541E-3 -1.53501472E-6  2.3443483E-10-1.34573106E-14    2
   4.11529953E3  -2.11503248E1   2.88976454E0  2.09465776E-2 -1.75190772E-5    3
  7.27819787E-9-1.18912344E-12    6.1239062E3   1.23802076E1                   4
CH4                     H   4C   1          G     200.0    6000.0  1000.0      1
   1.65326226E0  1.00263099E-2 -3.31661238E-6 5.36483138E-10-3.14696758E-14    2
  -1.00095936E4   9.90506283E0   5.14911468E0 -1.36622009E-2  4.91453921E-5    3
 -4.84246767E-8 1.66603441E-11  -1.02465983E4  -4.63848842E0                   4
CH3                     H   3C   1          G     200.0    6000.0  1000.0      1
    2.9781206E0    5.797852E-3    -1.97558E-6   3.072979E-10 -1.7917416E-14    2
    1.6509513E4    4.7224799E0    3.6571797E0   2.1265979E-3   5.4583883E-6    3
  -6.6181003E-9  2.4657074E-12    1.6422716E4    1.6735354E0                   4
CH2                     H   2C   1          G     200.0    6000.0  1000.0      1
   3.14631886E0  3.03671259E-3 -9.96474439E-7  1.5048358E-10-8.57335515E-15    2
   4.60412605E4   4.72341711E0   3.71757846E0   1.2739126E-3  2.17347251E-6    3
   -3.488585E-9 1.65208866E-12   4.58723866E4   1.75297945E0                   4
CH2(S)                  H   2C   1          G     200.0    6000.0  1000.0      1
   3.13501686E0  2.89593926E-3  -8.1666809E-7 1.13572697E-10-6.36262835E-15    2
   5.05040504E4   4.06030621E0   4.19331325E0 -2.33105184E-3  8.15676451E-6    3
 -6.62985981E-9 1.93233199E-12   5.03662246E4  -7.4673431E-1                   4
C                       C   1               G     200.0    6000.0  1000.0      1
     2.605583E0  -1.9593434E-4   1.0673722E-7  -1.642394E-11   8.187058E-16    2
    8.5411742E4    4.1923868E0    2.5542395E0  -3.2153772E-4   7.3379223E-7    3
 -7.3223487E-10  2.6652144E-13    8.5442681E4    4.5313085E0                   4
CH                      H   1C   1          G     200.0    6000.0  1000.0      1
    2.5209369E0   1.7653639E-3   -4.614766E-7  5.9289675E-11 -3.3474501E-15    2
    7.0946769E4    7.4051829E0    3.4897583E0    3.243216E-4  -1.6899751E-6    3
    3.162842E-9 -1.4061803E-12    7.0612646E4    2.0842841E0                   4
CHV                     H   1C   1          G     300.0    5000.0  1365.0      1
   2.21342975E0  2.15716841E-3 -5.73074267E-7 6.56809882E-11-2.67729778E-15    2
   1.04415563E5   9.20307557E0   3.50778851E0 -4.60811343E-4  1.32973337E-6    3
-5.15427373E-10 5.83223892E-14     1.039211E5   2.09978249E0                   4
CH3OH                   H   4O   1C   1     G     200.0    6000.0  1000.0      1
   3.52726795E0  1.03178783E-2 -3.62892944E-6 5.77448016E-10-3.42182632E-14    2
  -2.60028834E4   5.16758693E0   5.65851051E0 -1.62983419E-2  6.91938156E-5    3
 -7.58372926E-8  2.8042755E-11  -2.56119736E4 -8.97330508E-1                   4
CH3O                    H   3O   1C   1     G     200.0    6000.0  1000.0      1
   4.75779238E0  7.44142474E-3 -2.69705176E-6 4.38090504E-10-2.63537098E-14    2
    3.7811194E2  -1.96680028E0   3.71180502E0 -2.80463306E-3  3.76550971E-5    3
 -4.73072089E-8  1.8658842E-11    1.2956976E3   6.57240864E0                   4
CH2OH                   H   3O   1C   1     G     200.0    6000.0  1000.0      1
    5.0931437E0   5.9476126E-3  -2.0649746E-6 3.23008173E-10-1.88125902E-14    2
   -4.0340964E3  -1.84691493E0   4.47834367E0  -1.3507031E-3   2.7848498E-5    3
  -3.6486906E-8  1.4790745E-11   -3.5007289E3     3.309135E0                   4
HO2CHO                  H   2O   3C   1     G     300.0    5000.0  1378.0      1
   9.87503878E0  4.64663708E-3 -1.67230522E-6 2.68624413E-10-1.59595232E-14    2
  -3.80502496E4  -2.24939155E1   2.42464726E0   2.1970638E-2 -1.68705546E-5    3
  6.25612194E-9-9.11645843E-13  -3.54828006E4   1.75027796E1                   4
HOCH2O2H                H   4O   3C   1     G     300.0    5000.0  1398.0      1
   1.24531886E1   7.1822111E-3 -2.47029548E-6 3.85611737E-10-2.24774193E-14    2
  -4.24862928E4  -3.58745197E1  5.35189713E-1  3.73266553E-2 -3.15299511E-5    3
  1.30352583E-8-2.11473264E-12  -3.86609415E4   2.71776082E1                   4
HOCH2O2                 H   3O   3C   1     G     300.0    5000.0  1377.0      1
   1.16406115E1   5.7282604E-3 -2.05362036E-6 3.29070695E-10 -1.9518836E-14    2
  -2.53505769E4  -3.07332064E1   2.82068616E0  2.47857094E-2 -1.66186399E-5    3
  4.79633095E-9-4.28087766E-13  -2.22077036E4   1.70599803E1                   4
OCH2O2H                 H   3O   3C   1     G     300.0    5000.0  1418.0      1
   1.29622491E1  4.21948855E-3 -1.54275194E-6 2.50413077E-10-1.49855537E-14    2
  -1.81326406E4  -3.87016356E1  4.46349361E-1  3.63049606E-2 -3.26130978E-5    3
  1.37050551E-8-2.20872791E-12  -1.41972598E4   2.72960376E1                   4
HOCH2O                  H   3O   2C   1     G     300.0    5000.0  1452.0      1
   6.39521515E0  7.43673043E-3 -2.50422354E-6 3.84879712E-10-2.21778689E-14    2
   -2.4110884E4  -6.63865583E0   4.11183145E0  7.53850697E-3   3.7733737E-6    3
 -5.38746005E-9 1.45615887E-12  -2.28023001E4   7.46807254E0                   4
O2CHO                   H   1O   3C   1     G     300.0    5000.0  1368.0      1
   7.24075139E0  4.63312951E-3 -1.63693995E-6 2.59706693E-10-1.52964699E-14    2
  -1.87027618E4  -6.49547212E0   3.96059309E0  1.06002279E-2 -5.25713351E-6    3
  1.01716726E-9-2.87487602E-14  -1.73599383E4   1.17807483E1                   4
HOCHO                   H   2O   2C   1     G     200.0    6000.0  1000.0      1
    4.6138316E0   6.4496364E-3  -2.2908251E-6  3.6716047E-10 -2.1873675E-14    2
    -4.751485E4   8.4788383E-1    3.8983616E0  -3.5587795E-3   3.5520538E-5    3
  -4.3849959E-8  1.7107769E-11   -4.6770609E4    7.3495397E0                   4
OCHO                    H   1O   2C   1     G     200.0    6000.0  1000.0      1
   4.14394211E0  5.59738818E-3 -1.99794019E-6 3.16179193E-10-1.85614483E-14    2
  -1.72459887E4   5.07778617E0   4.68825921E0 -4.14871834E-3   2.5506601E-5    3
   -2.844739E-8 1.04422559E-11  -1.69867041E4    4.2842648E0                   4
CH2O                    H   2O   1C   1     G     200.0    6000.0  1000.0      1
   3.16952665E0   6.1932056E-3 -2.25056366E-6  3.6597566E-10-2.20149458E-14    2
  -1.45486831E4   6.04207898E0   4.79372312E0 -9.90833322E-3   3.7321999E-5    3
 -3.79285237E-8 1.31772641E-11  -1.43791953E4  6.02798058E-1                   4
HCO                     H   1O   1C   1     G     200.0    6000.0  1000.0      1
   3.92001542E0  2.52279324E-3 -6.71004164E-7 1.05615948E-10-7.43798261E-15    2
   3.65342928E3   3.58077056E0    4.2375461E0 -3.32075257E-3  1.40030264E-5    3
 -1.34239995E-8 4.37416208E-12   3.87241185E3   3.30834869E0                   4
HCOH                    H   2O   1C   1     G     300.0    5000.0  1398.0      1
   9.18749272E0  1.52011152E-3 -6.27603516E-7 1.09727989E-10-6.89655128E-15    2
   7.81364593E3  -2.73434214E1  -2.82157421E0  3.57331702E-2  -3.8086158E-5    3
  1.86205951E-8-3.45957838E-12   1.12956672E4   3.48487757E1                   4
C3H6O3                  H   6O   3C   3     G     200.0    6000.0  1000.0      1
   9.92478422E0  2.18093198E-2 -7.93042731E-6  1.29091522E-9-7.77324725E-14    2
  -6.25507483E4  -3.12305136E1    3.5524373E0  1.70629316E-3  9.91146863E-5    3
 -1.31998807E-7 5.26422498E-11  -5.90301584E4   1.06184813E1                   4
C2H5O2H                 H   6O   2C   2     G     200.0    3000.0  1000.0      1
    5.3698936E0  2.37894875E-2 -1.18319887E-5  2.84865959E-9-2.69529099E-13    2
  -2.23247897E4  1.97147446E-1   5.06694698E0  7.53007673E-3   4.8298334E-5    3
 -6.96260265E-8 2.86371917E-11  -2.15982512E4   5.41562645E0                   4
C2H5O2                  H   5O   2C   2     G     200.0    3000.0  1000.0      1
   4.70243558E0  2.19598579E-2 -1.10333734E-5  2.67891041E-9-2.55189141E-13    2
  -5.42484554E3   3.53031116E0   5.41024375E0 -6.93942023E-4  6.35336439E-5    3
 -8.37841039E-8 3.35867996E-11  -4.81407036E3   4.37174436E0                   4
C2H6                    H   6C   2          G     200.0    6000.0  1000.0      1
   4.04666411E0  1.53538802E-2 -5.47039485E-6 8.77826544E-10-5.23167531E-14    2
  -1.24473499E4 -9.68698313E-1   4.29142572E0 -5.50154901E-3  5.99438458E-5    3
 -7.08466469E-8 2.68685836E-11  -1.15222056E4   2.66678994E0                   4
C2H5                    H   5C   2          G     300.0    3500.0   700.0      1
  -1.10489358E0  2.43511913E-2 -1.39613152E-5  3.89870297E-9 -4.1728512E-13    2
   1.35030749E4   3.00146907E1   4.99501831E0  -1.0505448E-2  6.07314834E-5    3
 -6.72372957E-8 2.49884287E-11   1.26490872E4   2.76182763E0                   4
CHOCHO                  H   2O   2C   2     G     300.0    5000.0  1386.0      1
   9.75438561E0  4.97645947E-3 -1.74410483E-6 2.75586994E-10-1.61969892E-14    2
  -2.95832896E4  -2.61878329E1    1.8810512E0  2.36386368E-2 -1.83443295E-5    3
  6.84842963E-9-9.92733674E-13   -2.6928019E4   1.59154793E1                   4
C2H3OOH                 H   4O   2C   2     G     300.0    5000.0  1397.0      1
   1.15749951E1  8.09909174E-3 -2.81808668E-6 4.42697954E-10-2.58998042E-14    2
  -8.84852664E3  -3.43859117E1   1.35644398E0  3.37002447E-2   -2.759885E-5    3
  1.14222854E-8-1.89488886E-12  -5.49996692E3   1.98354466E1                   4
C2H3OO                  H   3O   2C   2     G    298.15    2000.0  1000.0      1
   6.04483828E0  1.45511127E-2 -7.50974622E-6   1.8348828E-9-1.66689681E-13    2
   1.01699244E4  -3.71144913E0   1.09784776E0  2.95333237E-2  -2.2774436E-5    3
  7.20559155E-9-3.07929092E-13   1.13996101E4   2.13563583E1                   4
CHCHO                   H   2O   1C   2     G    298.15    2000.0  1000.0      1
    4.9263291E0  9.71712147E-3  -5.5485598E-6  1.53068537E-9-1.64742462E-13    2
   2.89499494E4  5.27874677E-1   2.33256751E0  1.62952986E-2 -9.72052177E-6    3
 5.15124155E-10 1.03836514E-12   2.96585452E4   1.39904923E1                   4
C2H4                    H   4C   2          G     200.0    3000.0  1000.0      1
   1.60864693E0  1.50609034E-2 -7.03415503E-6  1.60473454E-9-1.45035207E-13    2
   5.03481778E3   1.26522651E1   4.24760731E0 -9.92694869E-3  6.13390131E-5    3
 -7.26431229E-8 2.80785458E-11   5.01597556E3   2.91763124E0                   4
C2H3                    H   3C   2          G     200.0    3000.0  1000.0      1
   2.94703852E0  1.03773732E-2 -4.78133396E-6  1.07695608E-9-9.62134934E-14    2
   3.43648997E4   8.16989635E0   3.14512897E0  2.28305573E-3   2.3792141E-5    3
 -3.37614846E-8 1.40649792E-11    3.4566848E4   8.68163141E0                   4
C2O                     O   1C   2          G     200.0    6000.0  1000.0      1
   5.42468378E0  1.85393945E-3 -5.17932956E-7  6.7764623E-11-3.53315237E-15    2
   4.37161379E4  -3.69608405E0   2.86278214E0  1.19701204E-2 -1.80851222E-5    3
   1.5277773E-8-5.20063163E-12   4.43125964E4   8.89759099E0                   4
C2H2                    H   2C   2          G     200.0    6000.0  1000.0      1
   4.65878489E0  4.88396667E-3 -1.60828888E-6 2.46974544E-10-1.38605959E-14    2
   2.57594042E4  -3.99838194E0  8.08679682E-1  2.33615762E-2 -3.55172234E-5    3
  2.80152958E-8-8.50075165E-12   2.64289808E4   1.39396761E1                   4
C2H                     H   1C   2          G     200.0    6000.0  1000.0      1
   3.66270248E0  3.82492252E-3   -1.366325E-6  2.1345504E-10-1.23216848E-14    2
    6.7168379E4   3.92205792E0   2.89867676E0  1.32988489E-2 -2.80733327E-5    3
  2.89484755E-8-1.07502351E-11    6.7061605E4   6.18547632E0                   4
H2CC                    H   2C   2          G     200.0    6000.0  1000.0      1
     4.278034E0   4.7562804E-3  -1.6301009E-6  2.5462806E-10 -1.4886379E-14    2
    4.8316688E4   6.4023701E-1    3.2815483E0   6.9764791E-3  -2.3855244E-6    3
  -1.2104432E-9  9.8189545E-13    4.8621794E4     5.920391E0                   4
C2                      C   2               G     200.0    6000.0  1000.0      1
   3.25289233E0  1.23190307E-3 -4.50354156E-7 7.49356656E-11-4.57925077E-15    2
   9.83737348E4   3.95859964E0   3.69386038E0 -1.84767427E-3  5.23712984E-6    3
 -3.83965401E-9 8.61135711E-13   9.83822318E4   2.23677006E0                   4
O2C2H4OH                H   5O   3C   2     G     300.0    2500.0   800.0      1
    5.564182E-1   4.1251869E-2  -3.1064687E-5    1.229296E-8 -1.9969071E-12    2
    -2.204739E4    2.4998308E1    5.564182E-1   4.1251869E-2  -3.1064687E-5    3
    1.229296E-8 -1.9969071E-12    -2.204739E4    2.4998308E1                   4
C2H4O2H                 H   5O   2C   2     G     200.0    3000.0  1000.0      1
   6.78041359E0  1.83275444E-2 -8.91431995E-6  2.10717647E-9 -1.9640965E-13    2
   3.29131978E3  -4.72895313E0   7.21049238E0 -8.05223553E-4  5.64608626E-5    3
 -7.53070591E-8 3.05453325E-11    3.8411079E3  -3.13534586E0                   4
C2H4O1-2                H   4O   1C   2     G     200.0    6000.0  1000.0      1
    5.4887641E0    1.204619E-2  -4.3336931E-6  7.0028311E-10 -4.1949088E-14    2
   -9.1804251E3   -7.0799605E0    3.7590532E0   -9.441218E-3   8.0309721E-5    3
  -1.0080788E-7  4.0039921E-11   -7.5608143E3    7.8497475E0                   4
C2H3O1-2                H   3O   1C   2     G     200.0    6000.0  1000.0      1
   5.60158035E0  9.17613962E-3 -3.28028902E-6 5.27903888E-10-3.15362241E-14    2
   1.71446252E4  -5.47228512E0   3.58349017E0 -6.02275805E-3  6.32426867E-5    3
 -8.18540707E-8 3.30444505E-11   1.85681353E4   9.59725926E0                   4
C2H5OH                  H   6O   1C   2     G     300.0    5000.0  1402.0      1
   8.14483865E0  1.28314052E-2 -4.29052743E-6 6.55971721E-10-3.76506611E-14    2
  -3.24005526E4  -1.86241126E1  2.15805861E-1  2.95228396E-2 -1.68271048E-5    3
  4.49484797E-9-4.02451543E-13  -2.94851823E4   2.45725052E1                   4
C2H5O                   H   5O   1C   2     G     300.0    5000.0  1467.0      1
   8.19120635E0  1.10391986E-2 -3.75270536E-6 5.80275784E-10-3.35735146E-14    2
  -5.66847208E3  -1.90131344E1   2.90353584E0  1.77256708E-2 -2.69624757E-6    3
 -3.45830533E-9 1.25224784E-12   -3.2893029E3   1.13545591E1                   4
PC2H4OH                 H   5O   1C   2     G     200.0    6000.0  1000.0      1
   7.01348674E0  1.20204391E-2 -4.21992012E-6 6.70675981E-10-3.97135273E-14    2
  -6.16161779E3  -8.62052409E0   4.20954137E0  9.12964578E-3  2.47462263E-5    3
 -3.92945764E-8 1.66541312E-11  -4.91511371E3   8.30445413E0                   4
SC2H4OH                 H   5O   1C   2     G     300.0    5000.0  1385.0      1
   8.15007136E0  1.02549305E-2 -3.40137764E-6 5.17509965E-10-2.96128942E-14    2
  -1.05014386E4  -1.73134615E1   1.46281093E0  2.39193995E-2 -1.30667185E-5    3
  3.10615465E-9-1.85896007E-13  -8.00790323E3   1.92547092E1                   4
O2CH2CHO                H   3O   3C   2     G     300.0    5000.0  1393.0      1
   1.11807543E1  9.14479256E-3 -3.15089833E-6 4.91944238E-10 -2.8663918E-14    2
  -1.55790331E4   -2.8789274E1  -1.29465843E0  4.44936393E-2 -4.26577074E-5    3
   2.0739195E-8-3.96828771E-12  -1.18275628E4   3.60778797E1                   4
HO2CH2CO                H   3O   3C   2     G     300.0    5000.0  1386.0      1
   1.04146322E1  1.12680116E-2 -5.17494839E-6  1.00333285E-9-6.68165911E-14    2
  -1.40955672E4    -2.278944E1   2.22681686E0   3.5678138E-2 -3.26401909E-5    3
  1.47651988E-8 -2.6479438E-12  -1.18735095E4   1.91581197E1                   4
CH2CO2                  H   2O   2C   2     G     300.0    5000.0  1000.0      1
   7.65364625E0  8.11459788E-3 -3.27402215E-6  6.0472528E-10-4.19318185E-14    2
  -2.47039852E3  -1.29488037E1   1.58410663E0  2.55753337E-2 -1.92389918E-5    3
  4.43061572E-9 7.05951245E-13  -9.15619463E2   1.80375721E1                   4
CH3CHOHOJ               H   5O   2C   2     G     300.0    5000.0  1475.0      1
   1.17676393E1  1.08162215E-2 -3.83103211E-6 6.08854274E-10-3.59050266E-14    2
  -3.02788234E4  -3.48553283E1   6.81886048E0  1.12137609E-2  9.27132951E-6    3
 -1.14593687E-8 3.04523365E-12  -2.74487304E4  -4.32313391E0                   4
CH3CHO                  H   4O   1C   2     G     200.0    6000.0  1000.0      1
    5.4041108E0   1.1723059E-2  -4.2263137E-6  6.8372451E-10 -4.0984863E-14    2
   -2.2593122E4   -3.4807917E0    4.7294595E0  -3.1932858E-3   4.7534921E-5    3
  -5.7458611E-8  2.1931112E-11   -2.1572878E4    4.1030159E0                   4
CH3CO                   H   3O   1C   2     G     200.0    6000.0  1000.0      1
    5.3137165E0   9.1737793E-3  -3.3220386E-6  5.3947456E-10 -3.2452368E-14    2
   -3.6450414E3   -1.6757558E0    4.0358705E0   8.7729487E-4    3.071001E-5    3
  -3.9247565E-8  1.5296869E-11   -2.6820738E3    7.8617682E0                   4
CH2CHO                  H   3O   1C   2     G     298.0    3000.0  1000.0      1
    3.6302633E0  1.41239404E-2 -7.16478146E-6  1.76263004E-9-1.70391996E-13    2
   4.29875072E2   6.20577997E0  9.86311004E-1  2.24920216E-2 -1.64812936E-5    3
  5.86617239E-9-6.81551147E-13   1.07163704E3   1.95196726E1                   4
CH2COHCO                H   3O   2C   3     G     300.0    5000.0  1411.0      1
   1.31285142E1  6.17948608E-3 -1.93387986E-6 2.81892606E-10-1.56244314E-14    2
  -1.93507932E4  -4.22958094E1    1.2434137E0  4.71484739E-2 -5.44200189E-5    3
  2.95970356E-8-6.01447282E-12  -1.65555219E4   1.68301276E1                   4
C2H3OH                  H   4O   1C   2     G     300.0    5000.0  1410.0      1
   8.32598158E0  8.03387281E-3 -2.63928405E-6 3.98410726E-10-2.26551155E-14    2
  -1.83221436E4  -2.02080305E1  -1.2797226E-1  3.38506073E-2 -3.30644935E-5    3
  1.64858739E-8-3.19935455E-12  -1.59914544E4   2.30438601E1                   4
C2H2OH                  H   3O   1C   2     G     300.0    5000.0  1401.0      1
   8.20268447E0  5.92989165E-3 -1.99194448E-6 3.05794341E-10-1.76114732E-14    2
   1.24881328E4  -1.89670436E1  6.41642616E-1  2.61903633E-2  -2.3038537E-5    3
  1.02804704E-8-1.81971416E-12   1.48276951E4   2.06750999E1                   4
SC2H2OH                 H   3O   1C   2     G     300.0    5000.0  1410.0      1
   7.99235139E0  5.83109353E-3 -1.89242965E-6 2.83129118E-10-1.59933287E-14    2
   9.51237374E3  -1.62058375E1   1.63791895E0  2.64968839E-2 -2.74821415E-5    3
  1.43110557E-8-2.85794966E-12   1.11467016E4   1.58714777E1                   4
CH2CO                   H   2O   1C   2     G     300.0    5000.0  1387.0      1
    6.3646703E0  5.45786699E-3 -1.84268576E-6 2.83411786E-10-1.63298616E-14    2
  -8.24720912E3  -9.42955479E0   4.99492822E0  7.27504908E-3 -2.16744674E-6    3
-9.25637041E-11  1.1264695E-13  -7.59099666E3  -1.51259007E0                   4
HCCO                    H   1O   1C   2     G     200.0    6000.0  1000.0      1
   5.91479333E0   3.7140873E-3  -1.3013701E-6 2.06473345E-10-1.21476759E-14    2
   1.93596301E4  -5.50567269E0   1.87607969E0  2.21205418E-2 -3.58869325E-5    3
  3.05402541E-8-1.01281069E-11    2.0163384E4    1.3696829E1                   4
HCCOH                   H   2O   1C   2     G     200.0    6000.0  1000.0      1
   6.37509678E0  5.49429011E-3 -1.88136576E-6 2.93803536E-10-1.71771901E-14    2
   8.93277676E3  -8.24498007E0   2.05541154E0  2.52003372E-2 -3.80821654E-5    3
  3.09890632E-8-9.89799902E-12   9.76872113E3   1.22271534E1                   4
CH2COOH                 H   3O   2C   2     G     100.0    5000.0  1058.0      1
    7.9836337E0  1.18141983E-2 -5.27086059E-6    1.043317E-9-7.61676344E-14    2
  -3.15520596E4   -1.6085263E1   2.92688293E0  1.79294703E-2   4.4942781E-6    3
 -1.67263265E-8 6.86762832E-12  -2.97543074E4   1.20349895E1                   4
CH3CCO                  H   3O   1C   3     G     100.0    5000.0  450.61      1
   4.07733162E0  1.56711833E-2 -6.97158858E-6  1.31787764E-9-9.17660519E-14    2
   1.95006394E4   7.83646777E0   3.34387132E0  1.74325291E-2  2.97569379E-6    3
 -3.67906168E-8 3.40290463E-11   1.96149582E4   1.13253443E1                   4
CH3COH                  H   4O   1C   2     G     100.0    5000.0 1002.18      1
   7.92846957E0   8.1587547E-3 -2.91410601E-6 5.15186396E-10-3.55331439E-14    2
   2.33088834E4  -1.53492432E1   2.84111291E0  2.24591992E-2 -1.53305901E-5    3
   2.7961625E-9 8.86886968E-13   2.46301178E4   1.07098389E1                   4
CH3CO3H                 H   4O   3C   2     G     300.0    5000.0  1391.0      1
   1.25060485E1  9.47789695E-3 -3.30402246E-6 5.19630793E-10-3.04233568E-14    2
  -4.59856703E4  -3.79195947E1   2.24135876E0  3.37963514E-2 -2.53887482E-5    3
  9.67583587E-9-1.49266157E-12  -4.24677831E4   1.70668133E1                   4
CH3CO3                  H   3O   3C   2     G     300.0    5000.0  1391.0      1
   1.12522498E1  8.33652672E-3  -2.8901453E-6 4.52781734E-10-2.64354456E-14    2
  -2.60238584E4  -2.96370457E1   3.60373432E0  2.70080341E-2 -2.08293438E-5    3
  8.50541104E-9 -1.4384611E-12  -2.34205171E4   1.12014914E1                   4
CH3CO2                  H   3O   2C   2     G     300.0    5000.0  1395.0      1
   8.54059736E0  8.32951214E-3  -2.8472201E-6 4.41927196E-10-2.56373394E-14    2
  -2.97290678E4  -2.03883545E1   1.37440768E0  2.49115604E-2 -1.74308894E-5    3
  6.24799508E-9-9.09516835E-13   -2.7233015E4   1.81405454E1                   4
CH3OCH2O2H              H   6O   3C   2     G     300.0    5000.0  1404.0      1
   1.28159161E1  1.34818095E-2 -4.50397729E-6 6.88229286E-10 -3.9488368E-14    2
  -4.06745921E4  -3.78047802E1   1.05786981E0  4.36787095E-2 -3.46383899E-5    3
   1.4480883E-8-2.46100643E-12  -3.68851076E4   2.43391936E1                   4
CH3OCH2O2               H   5O   3C   2     G     300.0    5000.0  1441.0      1
   1.19179361E1  1.19412867E-2 -3.93526185E-6 5.95756132E-10-3.39597705E-14    2
  -2.34231833E4  -3.20096863E1   3.39930541E0  3.09460407E-2 -1.92548181E-5    3
  5.76033887E-9-6.16081571E-13  -2.04433218E4   1.39429608E1                   4
CH2OCH2O2H              H   5O   3C   2     G     300.0    5000.0  1418.0      1
   1.23892901E1  1.11758961E-2 -3.59249095E-6 5.34196366E-10-3.00536541E-14    2
  -1.80551598E4  -3.29576862E1  1.62245477E-1  4.76101093E-2 -4.52046954E-5    3
  2.18379311E-8-4.11295947E-12    -1.464981E4   2.98253164E1                   4
O2CH2OCH2O2H            H   5O   5C   2     G     300.0    5000.0  1433.0      1
   1.77378326E1  1.13589899E-2 -3.67382539E-6 5.49255712E-10-3.10405899E-14    2
  -3.82903058E4  -5.66609932E1   2.39977678E0  5.39881943E-2 -4.87969524E-5    3
  2.19792134E-8-3.86106979E-12  -3.37824638E4   2.30683371E1                   4
HO2CH2OCHO              H   4O   4C   2     G     300.0    5000.0  1386.0      1
   1.57136128E1  9.64430166E-3 -3.44136025E-6 5.49722196E-10-3.25360322E-14    2
  -6.29409094E4  -5.29505242E1   1.21909586E0  4.28858235E-2 -3.17634222E-5    3
  1.11542676E-8-1.49753153E-12  -5.79287926E4   2.49759193E1                   4
OCH2OCHO                H   3O   3C   2     G     300.0    5000.0  1523.0      1
     1.240132E1  7.83738243E-3 -2.82992688E-6 4.55558739E-10-2.71061389E-14    2
   -4.6845347E4  -3.78084549E1   1.89539692E0  2.74118545E-2  -1.3647609E-5    3
  1.26325603E-9 5.17970476E-13   -4.2787944E4   2.02333278E1                   4
HOCH2OCO                H   3O   3C   2     G     300.0    5000.0  1443.0      1
    1.1149841E1   9.3473652E-3 -3.35541548E-6 5.38037115E-10-3.19260183E-14    2
  -4.75012119E4  -2.95983867E1   5.95255071E0  8.42196282E-3  1.36741678E-5    3
 -1.46786275E-8 3.84143533E-12  -4.44470269E4   2.85657217E0                   4
CH3OCH2O                H   5O   2C   2     G     300.0    5000.0  1523.0      1
   9.81288609E0  1.21313106E-2 -4.30285768E-6 6.84443177E-10-4.03862658E-14    2
  -2.50760742E4  -2.51866352E1   5.63414373E0  8.92830283E-3  1.37225633E-5    3
 -1.40497059E-8 3.54625624E-12  -2.22825214E4   1.93588846E0                   4
CH3OCH3                 H   6O   1C   2     G     298.0    3000.0  1000.0      1
    1.1385197E0  2.58202899E-2 -1.29425822E-5  3.14818537E-9-3.01294764E-13    2
  -2.35157473E4   1.85133202E1   3.75480003E0  9.94330522E-3   2.0465892E-5    3
 -2.65048607E-8  9.2039814E-12  -2.38174871E4   7.12147313E0                   4
CH3OCH2                 H   5O   1C   2     G     298.0    3000.0  1000.0      1
    2.7430013E0  2.06529566E-2 -1.03925669E-5  2.54086134E-9-2.44516053E-13    2
  -1.32986515E3   1.24007048E1   3.93734319E0  9.90763869E-3  1.63345997E-5    3
 -2.34568933E-8 8.57704791E-12  -1.32547779E3   7.99274498E0                   4
CH3OCHO                 H   4O   2C   2     G     298.0    3000.0  1000.0      1
    1.5582156E0  2.63651102E-2 -1.49021985E-5  3.93577994E-9-3.99334221E-13    2
  -4.47996443E4   1.82846496E1   3.95242735E0  6.27936769E-3  3.21013314E-5    3
 -3.93941104E-8  1.3618557E-11  -4.47899337E4   9.26882234E0                   4
CH3OCO                  H   3O   2C   2     G     298.0    3000.0  1000.0      1
   3.36304128E0  1.87670995E-2 -1.03048118E-5  2.67955225E-9 -2.6952476E-13    2
  -2.08317053E4   1.09017923E1   4.20427121E0  8.77414983E-3  1.52020481E-5    3
  -2.1722388E-8 7.77727542E-12   -2.0687622E4   8.45258172E0                   4
CH2OCHO                 H   3O   2C   2     G     298.0    3000.0  1000.0      1
   5.66297823E0   1.7397957E-2 -1.01218468E-5  2.73226211E-9-2.81907442E-13    2
  -2.14389479E4  -2.38514196E0    3.1993223E0  1.93736375E-2 -1.21521306E-6    3
 -1.11559169E-8 5.18761324E-12  -2.05538696E4   1.14662057E1                   4
CH3COCH                 H   4O   1C   3     G     100.0    5000.0 1422.47      1
   8.42190715E0  1.32147931E-2 -5.94861582E-6  1.13318238E-9 -7.8779049E-14    2
   2.38473302E4  -1.67738709E1    3.1330794E0  1.99928367E-2 -4.56076359E-6    3
 -3.51748126E-9 1.44161672E-12   2.61708711E4   1.34838635E1                   4
CH2COCH2                H   4O   1C   3     G     100.0    4000.0 1940.46      1
 -9.87425172E-1  2.88974591E-2 -1.32185725E-5   1.9513931E-9-1.03642912E-13    2
   1.73797237E4   3.53154789E1   2.09413283E0  2.96789612E-2 -1.93371377E-5    3
  5.94804523E-9-8.62638406E-13   1.48407339E4   1.49452231E1                   4
CH3CCHO                 H   4O   1C   3     G     100.0    5000.0   936.0      1
   1.05962069E1  7.73832919E-3 -1.89913832E-6 3.08803446E-10-2.31638998E-14    2
   1.89349404E4  -2.87420455E1   2.65781507E0  2.15986318E-2  8.04306562E-6    3
 -2.96741688E-8 1.41019327E-11   2.12999358E4   1.37261686E1                   4
!CH3CCHO                 C   3H   4O   1     G    100.00   5000.00  883.64      1
! 2.98584084E+00 2.37247777E-02-1.24837190E-05 2.42903257E-09-1.68049827E-13    2
! 2.97296039E+04 1.32146618E+01 2.68347107E+00 2.93743982E-02-2.93408969E-05    3
! 2.06294433E-08-6.86839802E-12 2.96159099E+04 1.36903236E+01                   4
CH2CCO                  H   2O   1C   3     G    298.15    2000.0  1000.0      1
   4.40003435E0  1.25785246E-2 -5.91887918E-6  1.27758857E-9-9.45874595E-14    2
   1.33314103E4   4.29517065E0   3.60551892E0  1.45152309E-2 -6.96190546E-6    3
 7.31583992E-10 3.52252542E-13   1.35523812E4   8.43858717E0                   4
NC3H7O2H                H   8O   2C   3     G     200.0    3000.0  1000.0      1
   5.70339505E0  3.28158196E-2 -1.62801919E-5  3.91404915E-9-3.70006532E-13    2
  -2.51228391E4   1.45914358E0   6.73138747E0  7.17215968E-3  6.55879836E-5    3
 -8.95268374E-8  3.5818372E-11  -2.44958475E4   1.16746323E0                   4
NC3H7O2                 H   7O   2C   3     G     200.0    3000.0  1000.0      1
   4.91998559E0  3.15132726E-2 -1.58821725E-5  3.86554476E-9-3.68943114E-13    2
  -8.25948108E3   4.98449512E0   5.47042383E0  8.03725792E-3  6.23369337E-5    3
 -8.69404455E-8 3.51435174E-11   -7.5459419E3   6.93921239E0                   4
IC3H7O2H                H   8O   2C   3     G     200.0    3000.0  1000.0      1
   6.94628788E0   3.1447902E-2 -1.56102919E-5  3.75542177E-9 -3.5527762E-13    2
  -2.74427914E4  -7.46456411E0   5.29707117E0  2.02135424E-2  3.71620355E-5    3
 -6.36781838E-8 2.71895768E-11  -2.64177402E4    4.3676721E0                   4
IC3H7O2                 H   7O   2C   3     G     200.0    3000.0  1000.0      1
   5.64376176E0  3.03429918E-2 -1.51530595E-5  3.66111767E-9-3.47386857E-13    2
  -1.04730244E4 -2.14718756E-1    5.0712883E0   1.7567292E-2  3.42490198E-5    3
  -5.6371961E-8 2.36317857E-11   -9.7676257E3   5.83068104E0                   4
C3H6OOH1-2              H   7O   2C   3     G     200.0    3000.0  1000.0      1
    6.5069906E0  2.85213018E-2 -1.41417909E-5  3.39938293E-9-3.21373645E-13    2
  -1.45012873E3 -1.87717582E-1   6.34979532E0  8.11708872E-3   5.9405573E-5    3
 -8.44703358E-8 3.45623896E-11  -6.15937814E2   5.09764555E0                   4
C3H6OOH1-3              H   7O   2C   3     G     200.0    3000.0  1000.0      1
    7.2312653E0   2.7742981E-2 -1.37595857E-5  3.30768532E-9 -3.1271468E-13    2
  -4.43242263E2  -5.41152147E0   5.50078943E0  1.50499925E-2  4.54145213E-5    3
 -7.25615652E-8 3.08058933E-11   6.52616591E2    7.1582156E0                   4
C3H6OOH2-1              H   7O   2C   3     G     200.0    3000.0  1000.0      1
   8.51331015E0  2.56658986E-2 -1.24736987E-5  2.94899846E-9-2.75019865E-13    2
  -2.00090673E3  -1.31841385E1   7.62269432E0  1.11030055E-2  4.70014253E-5    3
 -7.11121549E-8 2.97645184E-11  -1.14650501E3  -5.02948467E0                   4
C3H6OOH1-2O2            H   7O   4C   3     G     200.0    3000.0  1000.0      1
   1.04215235E1  3.14990051E-2  -1.6087017E-5  3.95787145E-9-3.81172892E-13    2
  -1.94983125E4  -1.78157823E1   7.66268414E0  3.46984307E-2 -9.21886703E-6    3
 -8.56030244E-9 4.82826479E-12  -1.85409133E4  -2.52153061E0                   4
C3H6OOH1-3O2            H   7O   4C   3     G     200.0    3000.0  1000.0      1
    1.2607889E1  2.93092235E-2  -1.5084075E-5  3.73118698E-9-3.60788937E-13    2
  -1.96011992E4     -3.08301E1   7.24781475E0  3.28928441E-2  1.30495909E-5    3
 -4.36381462E-8  2.0651332E-11  -1.77709148E4  -9.1772504E-1                   4
C3H6OOH2-1O2            H   7O   4C   3     G     200.0    3000.0  1000.0      1
   1.03199662E1  3.11300514E-2 -1.57238725E-5  3.83613609E-9-3.67016885E-13    2
   -1.9517393E4  -1.65669884E1   8.79693074E0  1.54084095E-2  5.10187628E-5    3
  -7.8882909E-8 3.28540704E-11  -1.83455378E4  -4.42816442E0                   4
C3KET12                 H   6O   3C   3     G     200.0    3000.0  1000.0      1
   9.32342424E0   2.6207395E-2 -1.33353001E-5  3.27346318E-9-3.14797458E-13    2
  -3.58698068E4  -1.60526738E1   4.41631201E0  3.07003361E-2  9.88578816E-6    3
 -3.89641249E-8 1.91158735E-11  -3.42762651E4   1.09624997E1                   4
C3KET13                 H   6O   3C   3     G     200.0    3000.0  1000.0      1
   8.58106638E0  2.73143185E-2 -1.39521051E-5  3.42955156E-9-3.29871443E-13    2
  -3.47726042E4  -1.11674324E1   7.59820874E0  2.30624183E-2   6.9084067E-6    3
 -2.23357702E-8 9.80969635E-12  -3.42038835E4  -4.50289938E0                   4
C3H51-2,3OOH            H   7O   4C   3     G     298.0    6000.0  1000.0      1
   1.92920199E1   1.5312525E-2 -5.36239915E-6 8.48522339E-10-5.00319374E-14    2
  -1.48744597E4  -6.55354976E1  9.32176447E-1  8.54901848E-2 -1.23079234E-4    3
  9.91652847E-8-3.24677763E-11  -1.04601429E4   2.53027474E1                   4
C3H5O1-2OOH-3           H   6O   3C   3     G     300.0    5000.0  1432.0      1
   1.57042382E1  1.30255692E-2 -4.23544254E-6 6.35555595E-10-3.60110207E-14    2
  -2.77269333E4  -5.51895464E1  -3.25001215E0  6.65787151E-2 -6.18859778E-5    3
  2.84638649E-8-5.08511634E-12   -2.2237124E4    4.3038128E1                   4
C3H6O1-2                H   6O   1C   3     G     200.0    6000.0  1000.0      1
   8.01491079E0  1.73919953E-2 -6.26027968E-6  1.01188256E-9-6.06239111E-14    2
  -1.51980838E4  -1.88279964E1   3.42806676E0  6.25176642E-3  6.13196311E-5    3
 -8.60387185E-8 3.51371393E-11  -1.28446646E4   1.04244994E1                   4
C3H6O1-3                H   6O   1C   3     G     200.0    6000.0  1000.0      1
   6.80716906E0  1.88824545E-2 -6.79082475E-6  1.09713919E-9-6.57154952E-14    2
  -1.36547629E4  -1.35382154E1   5.15283752E0 -1.86401716E-2  1.29980652E-4    3
 -1.58629974E-7 6.20668783E-11  -1.13243512E4   4.73561224E0                   4
C3H5-SOOH               H   6O   2C   3     G     298.0    6000.0  1000.0      1
   1.17366777E1  1.50781115E-2 -5.22873766E-6 8.22569776E-10 -4.8319881E-14    2
   -1.1905157E4  -3.21649975E1  6.05480242E-3   5.7296255E-2 -7.65094431E-5    3
  6.36300985E-8-2.20626642E-11  -8.82238404E3    2.6857227E1                   4
SC3H5OO                 H   5O   2C   3     G     300.0    5000.0  1391.0      1
    1.3124657E1  1.17719171E-2 -4.06154905E-6  6.3436506E-10-3.69622374E-14    2
    3.1978525E3   -4.0625695E1   2.37869252E0  3.63937952E-2 -2.54689963E-5    3
  9.05375431E-9-1.30368839E-12   6.97002244E3   1.72448228E1                   4
TC3H5OO                 H   5O   2C   3     G     300.0    5000.0  1427.0      1
    1.1247595E1  1.18958685E-2 -3.79310732E-6 5.61099631E-10-3.14584401E-14    2
   1.36735441E3  -2.91220162E1   2.60844589E0  3.34570194E-2 -2.41496366E-5    3
   9.1633332E-9-1.39948285E-12   4.16164345E3    1.6671437E1                   4
CH3COCHO                H   4O   2C   3     G     300.0    5000.0  1381.0      1
    1.1437119E1  1.06773624E-2 -3.68967757E-6 5.77006752E-10-3.36532201E-14    2
  -3.78079398E4  -3.25054087E1   2.08731049E0  3.09032484E-2 -1.98794164E-5    3
  6.26174519E-9-7.69945504E-13  -3.43989451E4   1.82839639E1                   4
CH2CHOCHO               H   4O   2C   3     G     100.0    5000.0  833.56      1
   7.40521033E0  1.65570221E-2 -6.58007383E-6  1.24982151E-9-9.06572059E-14    2
  -3.48859419E4  -1.12708869E1   2.57245381E0  1.18819753E-2  5.19781973E-5    3
 -8.56898226E-8 3.80126901E-11  -3.31121756E4   1.69715365E1                   4
OCHCH2CH2O              H   5O   2C   3     G     298.0    6000.0  1000.0      1
   1.08162478E1  1.42673665E-2 -5.07333766E-6 8.11888154E-10-4.82713892E-14    2
  -1.75002033E4  -2.65683503E1 -5.00838068E-1  5.19868081E-2 -6.76895492E-5    3
  5.81287856E-8-2.11513136E-11  -1.42793836E4   3.13661013E1                   4
CH2CHOCO                H   3O   2C   3     G     100.0    5000.0  965.05      1
   1.31387981E1  6.74642536E-3 -2.14128875E-6 3.99152269E-10 -3.0580403E-14    2
  -1.46339038E4  -4.25616482E1   2.06242074E0  3.51363582E-2 -1.90366415E-5    3
 -6.74125163E-9 6.69243374E-12  -1.16802033E4   1.47083881E1                   4
C3H52-1,3OOH            H   7O   4C   3     G     300.0    5000.0  1379.0      1
   2.02817964E1  1.48155431E-2 -5.25503386E-6 8.35963453E-10-4.93308915E-14    2
  -1.80085066E4  -7.22688262E1   4.12253742E0  5.19553611E-2 -3.83733727E-5    3
  1.45851637E-8-2.29820536E-12  -1.22759164E4   1.48367359E1                   4
C3H8                    H   8C   3          G     200.0    3000.0  1000.0      1
   1.40021346E0  3.18420793E-2  -1.5679464E-5  3.74038679E-9-3.50970704E-13    2
  -1.45995041E4   1.53772904E1   4.40544497E0  1.49882943E-3  6.81726683E-5    3
 -8.73518733E-8 3.42271755E-11  -1.45263856E4   4.75462035E0                   4
IC3H7                   H   7C   3          G     200.0    3000.0  1000.0      1
   1.28792104E0  2.88132087E-2 -1.42628492E-5  3.41663382E-9-3.21641287E-13    2
   8.77362364E3    1.9027698E1   6.26934547E0  -1.2046104E-2  9.04149102E-5    3
  -1.0586145E-7 4.01565711E-11    8.5531475E3 -5.55855157E-1                   4
NC3H7                   H   7C   3          G     200.0    3000.0  1000.0      1
   2.48159455E0  2.69835428E-2 -1.31599688E-5  3.11464891E-9-2.90368978E-13    2
   1.01221292E4   1.22920896E1   4.17115101E0  3.51564655E-3  5.75322599E-5    3
 -7.69319478E-8 3.08423388E-11   1.03875523E4   7.64185086E0                   4
CH3CHCHO                H   5O   1C   3     G     300.0    5000.0  1424.0      1
   1.06781476E1  1.12805711E-2 -3.89010759E-6 6.07617268E-10-3.54120848E-14    2
  -7.73234209E3  -3.24971238E1   1.47166733E0  2.69251618E-2 -1.00248013E-5    3
 -1.13421435E-9 1.03416658E-12  -4.04142023E3   1.88722472E1                   4
CH3CHCO                 H   4O   1C   3     G     300.0    5000.0  1400.0      1
   1.00219123E1    9.569663E-3 -3.26221644E-6 5.05231706E-10-2.92593257E-14    2
  -1.42482738E4  -2.77829973E1   1.48380119E0  3.22203013E-2 -2.70250033E-5    3
  1.20499164E-8-2.18365931E-12   -1.1527654E4   1.71552068E1                   4
C3H5O                   H   5O   1C   3     G     300.0    5000.0  1402.0      1
   1.02638186E1  1.17609932E-2 -3.89837957E-6 5.92650815E-10-3.38867417E-14    2
   7.25938472E3  -2.75108651E1  8.24068673E-1  3.46749909E-2 -2.51786795E-5    3
  9.56781953E-9-1.48085302E-12   1.04203725E4    2.2828307E1                   4
CH2CHOCH2               H   5O   1C   3     G     298.0    3000.0  1000.0      1
   5.97771354E0  2.02657041E-2 -1.01668826E-5  2.48262015E-9-2.38848507E-13    2
   8.26182922E3  -3.59465019E0  8.65182879E-1  3.69123607E-2 -2.91776933E-5    3
  1.10126628E-8-1.29220645E-12   9.46612939E3   2.20002011E1                   4
CH2OOHCHCO              H   4O   3C   3     G     100.0    5000.0  828.78      1
   8.21003768E0  2.23847091E-2 -1.04769597E-5   1.9708955E-9-1.34682628E-13    2
  -2.07892043E4  -1.02126441E1   1.41612513E0  6.14660031E-2 -9.25964273E-5    3
  7.71867797E-8 -2.5586331E-11  -1.98791413E4   1.99846206E1                   4
CH2OCHCO                H   3O   2C   3     G     100.0    5000.0   869.7      1
   2.35088409E0   2.3934035E-2   -1.149536E-5  2.15666774E-9 -1.4569055E-13    2
  -6.59575625E2   2.08361058E1   2.43867977E0    4.198703E-2 -7.44651363E-5    3
  7.48277923E-8-2.80498586E-11  -1.37285912E3   1.64118408E1                   4
AC4H7OOH                H   8O   2C   4     G     300.0    5000.0  1395.0      1
   1.47661443E1  2.12235231E-2  -7.0940339E-6  1.08423759E-9-6.22145708E-14    2
  -1.35617411E4  -4.77449138E1   1.33470633E0   5.2783144E-2  -3.5886136E-5    3
  1.32495013E-8-2.06619289E-12  -8.87891782E3   2.43857336E1                   4
AC3H5OOH                H   6O   2C   3     G     298.0    6000.0  1000.0      1
   1.20838649E1  1.47946591E-2 -5.13212591E-6 8.07504999E-10-4.74394983E-14    2
  -1.02184463E4  -3.36434791E1   3.18124993E0  4.35233041E-2 -5.16277353E-5    3
  4.32011427E-8-1.57714983E-11  -7.63521503E3   1.21725683E1                   4
C3H6                    H   6C   3          G     200.0    3000.0  1000.0      1
   1.92108263E0  2.43339459E-2 -1.16770827E-5   2.7294451E-9-2.52017823E-13    2
   6.57712123E2   1.38966351E1   4.31009158E0 -1.07031844E-3  5.93972302E-5    3
 -7.47111922E-8 2.91295619E-11   7.63241094E2   5.72920478E0                   4
C3H5-A                  H   5C   3          G     200.0    3000.0  1000.0      1
   3.84791212E0  1.92587171E-2 -9.13273431E-6  2.11591054E-9-1.94087489E-13    2
   1.77129152E4   2.99184164E0   1.78802281E0  1.47355886E-2  2.49636779E-5    3
 -4.61392059E-8 2.05476345E-11   1.85843327E4   1.55955836E1                   4
C3H5-S                  H   5C   3          G     200.0    3000.0  1000.0      1
   2.96456222E0  2.00542186E-2 -9.69055932E-6  2.28759935E-9-2.13799962E-13    2
   3.02834725E4    9.8333426E0   3.82115034E0  5.68402338E-3  3.50202069E-5    3
  -4.8904445E-8 1.97810852E-11   3.05074273E4   7.99634709E0                   4
C3H5-T                  H   5C   3          G     200.0    3000.0  1000.0      1
   2.64305773E0  2.04953214E-2 -9.90039262E-6  2.32606764E-9-2.15631121E-13    2
   2.85305626E4   1.18330025E1   4.87989018E0 -1.62832401E-3  5.08381392E-5    3
 -6.33941027E-8 2.46528204E-11   2.85657279E4   3.82550151E0                   4
CC3H6                   H   6C   3          G     200.0    6000.0  1000.0      1
   6.21663437E0  1.65393591E-2 -5.90075838E-6 9.48095199E-10-5.65661522E-14    2
   2.95937491E3  -1.36041009E1   2.83278674E0 -5.21028618E-3   9.2958321E-5    3
 -1.22753194E-7 4.99191366E-11   5.19520048E3   1.08306333E1                   4
CC3H5                   H   5C   3          G     298.0    3000.0  1000.0      1
    2.9997496E0  2.13475726E-2  -1.0699075E-5  2.60932417E-9-2.50699404E-13    2
   3.31868952E4   7.36829306E0  -2.66197201E0  4.09354947E-2 -3.51846762E-5    3
  1.54618244E-8-2.54379883E-12   3.44620177E4   3.54220671E1                   4
PC3H4OH-1               H   5O   1C   3     G     300.0    5000.0  1403.0      1
   1.09468986E1   1.0401454E-2 -3.44082448E-6 5.22105632E-10-2.98049266E-14    2
     4.115306E3  -3.11161699E1   2.07150195E0   3.5001681E-2 -3.01922013E-5    3
  1.38467853E-8-2.55380109E-12   6.81914209E3   1.51916605E1                   4
PC3H4OH-2               H   5O   1C   3     G     300.0    5000.0  1399.0      1
   1.04635062E1  1.11663832E-2 -3.77893714E-6 5.82297374E-10-3.35999696E-14    2
   4.44805292E3  -2.88001079E1   1.65785091E0  3.50982804E-2 -2.96983519E-5    3
  1.35988418E-8-2.53619848E-12   7.22116184E3   1.73841296E1                   4
SC3H4OH                 H   5O   1C   3     G     300.0    5000.0  1409.0      1
   9.47410666E0  1.30017461E-2 -5.98809406E-6  1.20693652E-9-8.36051867E-14    2
  -7.27956379E3   -2.4656701E1   2.44954369E0  3.28038175E-2 -2.74206705E-5    3
  1.16743989E-8    -2.0137E-12  -5.22438373E3   1.17912854E1                   4
C3H3O                   H   3O   1C   3     G     100.0    5000.0 1149.86      1
   6.82982476E0  1.21550955E-2 -5.01834477E-6 9.27996889E-10-6.42469482E-14    2
   1.97626136E4  -7.94216328E0    2.9430262E0  1.99368612E-2 -7.68290364E-6    3
 -1.86785397E-9 1.48736942E-12   2.10358789E4   1.30019586E1                   4
C3H3O2H                 H   4O   2C   3     G     300.0    5000.0  1385.0      1
   1.38152174E1  8.62174763E-3 -3.06710006E-6 4.88874247E-10-2.88888385E-14    2
   6.29182941E3  -4.39151257E1   1.09787313E0  4.22717882E-2 -3.83969355E-5    3
  1.77405069E-8-3.27674312E-12   1.03592314E4   2.30651783E1                   4
C2HCHO                  H   2O   1C   3     G     300.0    5000.0  2012.0      1
   7.99952054E0  7.07825497E-3 -2.63086819E-6 4.33073185E-10-2.62003284E-14    2
   8.71863156E3  -1.57226237E1   4.20776611E0  1.34382727E-2 -5.15442099E-6    3
-2.24570818E-11 2.74111284E-13   1.02117375E4   5.43871873E0                   4
C3H5O31                 H   5O   3C   3     G     300.0    5000.0  1382.0      1
    1.5839182E1  1.18108291E-2 -4.12595969E-6 6.49893689E-10-3.80931093E-14    2
  -1.80299056E4  -5.25698665E1   3.64419366E0  3.93357791E-2 -2.76201715E-5    3
  9.70517355E-9-1.37417872E-12  -1.37014751E4   1.32634568E1                   4
C3H5O32                 H   5O   3C   3     G     400.0    5000.0  1369.0      1
    1.6938241E1  1.10870012E-2 -3.92331771E-6 6.23214564E-10-3.67416907E-14    2
   -8.5143276E3   -5.9388003E1   5.78082152E0  3.25728351E-2 -1.72708524E-5    3
  3.00679496E-9 1.46350874E-13  -4.22755472E3   2.08334102E0                   4
CH2CCH2OOH              H   5O   2C   3     G     100.0    5000.0  797.78      1
   5.63002145E0  2.49469787E-2 -1.17522882E-5  2.27967141E-9-1.61088289E-13    2
   1.90445436E4   2.90129761E0   2.24534237E0  4.19178324E-2  -4.3661873E-5    3
  2.89455623E-8 -8.5175477E-12   1.95845778E4   1.84656699E1                   4
CH2CHCH2OO              H   5O   2C   3     G     100.0    5000.0 1155.35      1
   5.58060891E0  2.31419381E-2 -1.00897341E-5   1.8929106E-9-1.31328362E-13    2
   8.55393412E3   2.61219293E0   2.56675611E0  3.35761853E-2 -2.36363706E-5    3
  9.70953623E-9-1.82269755E-12   9.25035685E3   1.75875518E1                   4
CH2COOHCHO              H   4O   3C   3     G     100.0    5000.0  902.08      1
   7.72888075E0  2.47252911E-2 -1.32296759E-5  2.71615897E-9-1.98202231E-13    2
  -2.06248257E4  -8.75060174E0   1.95774991E0  5.03154489E-2 -5.57813133E-5    3
  3.41630033E-8-8.91323718E-12  -1.95836144E4     1.849708E1                   4
CH2COCHO                H   3O   2C   3     G     100.0    5000.0 1335.27      1
   7.34755335E0  1.61852796E-2 -7.60948668E-6  1.47379512E-9-1.03801827E-13    2
  -1.01354653E4  -7.29668767E0   2.68900307E0  3.01408767E-2 -2.32870055E-5    3
  9.30130671E-9-1.56935431E-12  -8.89140012E3   1.65249953E1                   4
CH2COOHCH2OO            H   5O   4C   3     G     100.0    5000.0  806.16      1
    7.6585686E0   2.9556707E-2 -1.42020292E-5  2.71873538E-9-1.88180613E-13    2
  -2.34133619E3  -1.73573372E0   1.09063295E0  6.98426721E-2 -1.03483135E-4    3
  8.83951171E-8  -3.043045E-11  -1.53249194E3   2.69842535E1                   4
CH2COOCH2OOH            H   5O   4C   3     G     100.0    5000.0  806.16      1
    7.6585686E0   2.9556707E-2 -1.42020292E-5  2.71873538E-9-1.88180613E-13    2
  -2.34133619E3  -1.73573372E0   1.09063295E0  6.98426721E-2 -1.03483135E-4    3
  8.83951171E-8  -3.043045E-11  -1.53249194E3   2.69842535E1                   4
CH2COOHCH2OOH           H   6O   4C   3     G     100.0    5000.0  801.51      1
   8.78500627E0  3.20527125E-2 -1.56964155E-5  3.08216377E-9-2.18727161E-13    2
  -2.10540864E4  -9.23341932E0   1.03489847E0  7.07307898E-2 -8.80821988E-5    3
  6.32908514E-8-1.89987584E-11   -1.9811746E4   2.64414902E1                   4
CH2COOHCH2              H   5O   2C   3     G     200.0    3000.0  1000.0      1
   1.11212027E1  1.54355749E-2 -6.72634551E-6  1.43699713E-9-1.21868039E-13    2
   8.19551526E3  -2.67715447E1   1.12108055E1 -1.51855705E-2  1.08079654E-4    3
 -1.41872944E-7 5.89136158E-11   9.16820706E3  -2.11612439E1                   4
C3H4O21-2               H   4O   2C   3     G     100.0    5000.0  925.63      1
   1.66746516E1  6.94980866E-4  1.94045833E-6-3.99215022E-10 2.21540063E-14    2
  -2.61851061E4  -6.48077418E1   2.16662027E0  2.57479046E-2  2.23409604E-5    3
 -5.90257392E-8 2.77222023E-11   -2.1886734E4   1.27745298E1                   4
CH2COOHCHOH             H   5O   3C   3     G     100.0    5000.0 1479.11      1
   1.95677286E1  3.46179806E-3  1.09880798E-6-3.73693856E-10 2.95693719E-14    2
   -2.0439062E4  -7.13619103E1  2.39359242E-1  6.69224709E-2 -7.46066607E-5    3
  3.88634397E-8-7.46686698E-12  -1.59453972E4   2.53142595E1                   4
C3H4-P                  H   4C   3          G     200.0    6000.0  1000.0      1
      6.02524E0   1.1336542E-2  -4.0223391E-6  6.4376063E-10 -3.8299635E-14    2
   1.96286897E4  -8.59600927E0   1.88762824E0  2.25076683E-2 -1.71221335E-5    3
  9.88041746E-9-3.20867665E-12   2.08722476E4   1.30780797E1                   4
C3H4-A                  H   4C   3          G     200.0    3000.0  1000.0      1
   3.64971826E0  1.64691409E-2 -7.87384895E-6   1.8349251E-9-1.69011475E-13    2
    2.0877603E4   3.83085451E0   2.69751251E0  1.06292969E-2  2.19212936E-5    3
 -3.79372292E-8   1.660005E-11   2.14072429E4   1.04158509E1                   4
C3H3                    H   3C   3          G     200.0    6000.0  1000.0      1
   7.14221719E0  7.61902211E-3  -2.6746003E-6 4.24914904E-10-2.51475443E-14    2
   3.95710114E4  -1.25848129E1   1.34577946E0  3.27862233E-2 -4.75146967E-5    3
  3.77892551E-8-1.19201548E-11   4.07684638E4   1.52273792E1                   4
CC3H4                   H   4C   3          G     300.0    5000.0  1000.0      1
    6.6999931E0   1.0357372E-2  -3.4551167E-6  5.0652949E-10 -2.6682276E-14    2
    3.0199051E4    -1.337877E1  -2.4621047E-2   2.3197215E-2  -1.8474357E-6    3
  -1.5927593E-8  8.6846155E-12    3.2334137E4    2.2729762E1                   4
C3H2                    H   2C   3          G     298.0    3000.0  1000.0      1
   7.06992917E0   5.3930816E-3 -2.17231495E-6 4.25227595E-10-3.28500977E-14    2
    6.3437888E4  -9.64827316E0   6.45665171E0  8.89254866E-3 -8.95504077E-6    3
  5.94559895E-9-1.65668523E-12   6.35070148E4  -6.95417172E0                   4
H2CCC(S)                H   2C   3          G     298.0    3000.0  1000.0      1
   3.75675072E0  1.05198161E-2  -5.3118251E-6  1.30033932E-9 -1.2511389E-13    2
   6.49793615E4   5.13544552E0   3.65239437E0  9.12393407E-3  -2.7017186E-7    3
 -4.17863788E-9 1.81244845E-12   6.50833396E4   6.07330419E0                   4
C3H2(S)                 H   2C   3          G     200.0    6000.0  1000.0      1
   5.58092176E0  7.88374719E-3 -3.74325522E-6 8.68600548E-10-7.98340783E-14    2
    6.9846369E4    -4.217711E0   3.12747067E0  1.86432946E-2 -2.18682413E-5    3
  1.46536901E-8-4.04603382E-12    7.0308676E4   7.42959447E0                   4
C3H2C                   H   2C   3          G     200.0    5000.0  1500.0      1
     6.563268E0   5.2363256E-3   -1.754483E-6  2.6866106E-10 -1.5428509E-14    2
    5.6514618E4   -1.2000607E1    1.1295888E0   1.7287401E-2  -1.1366823E-5    3
   3.4569296E-9 -3.6615951E-13     5.841908E4    1.7331448E1                   4
C3H6OH-1O2              H   7O   3C   3     G     300.0    5000.0  1397.0      1
   1.42691004E1  1.71837825E-2 -5.83419536E-6 9.00994191E-10 -5.2071621E-14    2
   -3.1450175E4  -4.15295035E1   3.06954289E0   4.4310564E-2  -3.1863626E-5    3
  1.26409287E-8-2.12751901E-12  -2.75893676E4   1.83891218E1                   4
C3H6OH-3O2              H   7O   3C   3     G     298.0    5000.0 1391.49      1
   1.02783858E1  2.47369491E-2 -1.02406202E-5  1.93383596E-9-1.36620247E-13    2
  -2.82426521E4  -2.00287353E1   1.58751068E0  4.94797321E-2 -3.67460494E-5    3
  1.46939868E-8-2.48300492E-12  -2.58106935E4   2.48475438E1                   4
C3H6OH-3OOH-1           H   7O   3C   3     G     300.0    5000.0  1399.0      1
   1.56470202E1  1.60923903E-2 -5.47775812E-6 8.47648626E-10-4.90646635E-14    2
  -2.55572421E4  -4.96613289E1   2.40181277E0  4.81989638E-2  -3.5653844E-5    3
  1.39106335E-8-2.23653199E-12  -2.10700795E4   2.10658954E1                   4
C3H6OH-3OOH-1O2         H   7O   5C   3     G     300.0    5000.0  1392.0      1
   2.16980638E1  1.65588899E-2 -6.65285874E-6  1.18650507E-9-7.53210886E-14    2
  -4.71047688E4  -8.04810525E1    1.6232924E0   7.1294924E-2 -6.44623999E-5    3
  2.90029126E-8-5.17042078E-12  -4.09992714E4   2.44186649E1                   4
C3OHKET3-1              H   6O   4C   3     G     300.0    5000.0  1388.0      1
   1.70756225E1  1.31013491E-2 -4.61949408E-6 7.31991329E-10-4.30788679E-14    2
  -4.17008637E4  -5.95778952E1   1.10507238E0  5.27396706E-2 -4.31805774E-5    3
  1.81618292E-8-3.10535568E-12  -3.63627536E4   2.54111636E1                   4
TQJC3H6OH               H   7O   3C   3     G     300.0    5000.0  1411.0      1
   1.57530365E1  1.56289438E-2 -5.23690385E-6 8.01741456E-10-4.60590728E-14    2
  -3.24130576E4  -5.08911217E1   2.29728737E0  4.96725824E-2 -3.84714645E-5    3
   1.5603809E-8-2.56748169E-12   -2.8042951E4   2.03767936E1                   4
TQC3H6OI                H   7O   3C   3     G     300.0    5000.0  1417.0      1
   1.71497525E1  1.47440875E-2 -4.99973196E-6 7.71920259E-10 -4.4617568E-14    2
  -2.30944769E4  -5.96032656E1   3.77984842E0   4.5124638E-2 -3.03819021E-5    3
  9.92338649E-9-1.22338206E-12  -1.84544341E4   1.23546787E1                   4
QC3H5OHP                H   7O   3C   3     G     300.0    5000.0  1415.0      1
   1.65390643E1  1.45962463E-2 -4.89569717E-6  7.5019033E-10-4.31310565E-14    2
  -2.47102324E4  -5.34015731E1   1.76951547E0  5.23733147E-2  -4.1965818E-5    3
  1.72471815E-8-2.83710014E-12  -1.99859353E4   2.46273265E1                   4
TQC3H5OHI               H   7O   3C   3     G     300.0    5000.0  1526.0      1
   1.55469726E1  1.61841763E-2 -5.60787877E-6 8.78452695E-10 -5.1290404E-14    2
   -2.6316491E4  -4.81509679E1   5.58028765E0  3.00649782E-2  -6.3851991E-6    3
 -4.74322634E-9 1.89822226E-12  -2.19537872E4   8.64790031E0                   4
QC3H5OHPO2              H   7O   5C   3     G     100.0    5000.0  828.76      1
   1.07305514E1  3.55041547E-2 -1.68232695E-5  3.18000289E-9-2.17754752E-13    2
  -3.94836372E4  -1.58501091E1 -1.49902883E-1  9.90977223E-2 -1.51975779E-4    3
  1.28028981E-7-4.27448931E-11  -3.80606666E4   3.23026688E1                   4
C3H4OHOOH1-3-2          H   6O   3C   3     G     100.0    5000.0  893.75      1
   7.72762607E0  2.69748531E-2 -1.23988169E-5  2.38376962E-9-1.67763026E-13    2
  -2.95105059E4  -5.10875937E0   1.70505741E0  5.39287827E-2 -5.76358053E-5    3
  3.61266974E-8-9.60626582E-12  -2.84339628E4   2.32701929E1                   4
C3H4OH1KT2-3            H   6O   4C   3     G     100.0    5000.0 1031.36      1
   1.21668112E1  2.57987855E-2  -1.2073683E-5  2.34951487E-9-1.66874108E-13    2
  -5.65412046E4  -2.91489744E1  9.56415197E-1  6.92767922E-2 -7.53075242E-5    3
  4.32235003E-8-1.00746386E-11  -5.42288083E4   2.52808909E1                   4
C(OH)CY(COC)            H   6O   2C   3     G     100.0    5000.0  865.68      1
   2.34198803E1 -8.82049927E-3  1.15933686E-5 -2.62640003E-9 1.88621306E-13    2
  -4.40052513E4  -1.00608377E2   1.72169012E0  2.75309839E-2  5.93422629E-5    3
 -1.24677525E-7 6.00637192E-11  -3.78538756E4    1.4774085E1                   4
CCY(COC)OH              H   6O   2C   3     G     300.0    5000.0  1427.0      1
   1.37176873E1  1.33634818E-2  -4.5149084E-6 6.95521032E-10-4.01451866E-14    2
  -4.07527954E4  -4.74449508E1 -7.68565795E-1  4.79603507E-2 -3.53347028E-5    3
  1.27934873E-8-1.79555386E-12  -3.59177637E4   2.98848715E1                   4
CY(COC)COH              H   6O   2C   3     G     300.0    5000.0  1427.0      1
   1.23650178E1  1.37866121E-2  -4.5019831E-6 6.77071535E-10-3.84092609E-14    2
  -3.50388267E4   -3.8831877E1  -3.28993462E0  5.79159124E-2 -5.21642132E-5    3
    2.384634E-8-4.27986682E-12  -3.04628787E4   4.23855523E1                   4
IQJC3H6OH               H   7O   3C   3     G     300.0    5000.0  1408.0      1
   1.55719527E1  1.57683363E-2 -5.28242575E-6 8.08628793E-10-4.64527621E-14    2
  -3.23985113E4  -4.97782092E1   1.74093905E0  5.10931764E-2 -4.02179535E-5    3
  1.66120004E-8-2.78425352E-12  -2.79317094E4   2.33734165E1                   4
IQC3H6OT                H   7O   3C   3     G     300.0    5000.0  1406.0      1
   1.67044548E1  1.52497437E-2 -5.19996341E-6 8.05676289E-10-4.66785083E-14    2
  -2.34693102E4  -5.83507487E1   2.97554636E0  4.80962295E-2 -3.51787999E-5    3
   1.3200846E-8-2.00208137E-12  -1.88187423E4   1.50392917E1                   4
IQC3H5OHPJ              H   7O   3C   3     G     300.0    5000.0  1409.0      1
   1.59552559E1  1.50895186E-2 -5.06382338E-6 7.76108726E-10-4.46235236E-14    2
  -2.45035338E4  -4.99018045E1   1.35929059E0  5.34300669E-2 -4.41305751E-5    3
  1.89646022E-8-3.27838412E-12  -1.98996889E4   2.69126449E1                   4
IQC3H5OHPJC             H   7O   3C   3     G     300.0    5000.0  1409.0      1
   1.59552559E1  1.50895186E-2 -5.06382338E-6 7.76108726E-10-4.46235236E-14    2
  -2.45035338E4  -4.99018045E1   1.35929059E0  5.34300669E-2 -4.41305751E-5    3
  1.89646022E-8-3.27838412E-12  -1.98996889E4   2.69126449E1                   4
CY(CCOC)OH              H   6O   2C   3     G     300.0    5000.0  1433.0      1
    1.1647706E1  1.42006208E-2 -4.52110513E-6 6.68183015E-10-3.74416389E-14    2
  -3.58421461E4  -3.71322765E1  -5.94615865E0  6.41555008E-2 -5.85235665E-5    3
  2.68222743E-8-4.79465381E-12  -3.07734013E4   5.39539327E1                   4
CHOCOHCH3               H   6O   2C   3     G     300.0    5000.0  1379.0      1
   1.36133542E1  1.38716512E-2 -4.87445259E-6 7.70639716E-10-4.52818606E-14    2
  -4.85836793E4  -4.37863752E1  9.59562607E-1  4.04355781E-2 -2.52333819E-5    3
  7.47748757E-9-8.33450351E-13  -4.38727633E4   2.52653125E1                   4
TQC3H5OHIO2             H   7O   5C   3     G     300.0    5000.0  1387.0      1
   2.02916342E1  1.92145529E-2 -8.58823433E-6  1.62509037E-9-1.06225627E-13    2
  -4.85976512E4  -7.10879629E1   2.11774097E0  7.25997025E-2 -6.81667819E-5    3
  3.13796075E-8-5.68565078E-12  -4.35518506E4    2.2358655E1                   4
TQC3H5OHIQ-I            H   7O   5C   3     G     300.0    5000.0  1391.0      1
   2.28708932E1  1.56658128E-2 -6.48662482E-6  1.17068411E-9-7.44373426E-14    2
  -3.97155885E4  -8.61588096E1   3.46235675E0   6.9870544E-2 -6.48577576E-5    3
  2.96626742E-8-5.34536953E-12  -3.39681675E4   1.47596723E1                   4
TQC3H5OHIQ-P            H   7O   5C   3     G     300.0    5000.0  1478.0      1
   2.59345778E1  6.66525395E-3 -1.66651304E-7-4.20552574E-10 5.49726117E-14    2
  -4.21899085E4  -9.90618026E1   2.45629666E0    7.085079E-2 -6.43845421E-5    3
  2.79222006E-8-4.68412156E-12   -3.5610166E4   2.27189955E1                   4
C2H3COHOOH              H   6O   3C   3     G     300.0    5000.0  1393.0      1
    1.6934946E1  1.32757225E-2  -5.3095895E-6  9.4326893E-10-5.97339692E-14    2
   -3.7799058E4  -5.97614008E1  3.73734021E-1  5.84060291E-2 -5.29627415E-5    3
  2.38734015E-8-4.26063052E-12  -3.27577137E4   2.67905679E1                   4
COHOOHCY(COC)           H   6O   4C   3     G     300.0    5000.0  1394.0      1
   1.78808618E1  1.47154928E-2 -5.11766843E-6 8.03382779E-10-4.69696797E-14    2
  -5.19254526E4   -6.4730208E1  -3.16180219E0  7.92240221E-2 -8.28674521E-5    3
  4.32049848E-8-8.69506663E-12  -4.59891154E4   4.31128002E1                   4
OHCY(COCC)OOH           H   6O   4C   3     G     300.0    5000.0  1520.0      1
   1.88928431E1  1.38516388E-2  -4.7369246E-6 7.36282623E-10-4.27819063E-14    2
  -5.31875949E4  -7.05664934E1 -2.13807799E-1  5.79347134E-2 -4.16882857E-5    3
  1.38590975E-8-1.65613593E-12  -4.67090699E4   3.18890641E1                   4
IQC3H5OHPJO2            H   7O   5C   3     G     300.0    5000.0  1407.0      1
   2.05841169E1  1.60145253E-2 -5.42436519E-6 8.36749101E-10-4.83324213E-14    2
  -4.36087438E4  -7.05205391E1   2.83411409E0  6.29377015E-2  -5.3522829E-5    3
  2.33491916E-8 -4.0693489E-12  -3.80451295E4   2.27789799E1                   4
IQC3H5OTQ-I             H   7O   5C   3     G     300.0    5000.0  1415.0      1
   2.17590493E1  1.51627633E-2 -5.16409734E-6  7.9971384E-10 -4.6324329E-14    2
  -3.41193762E4  -7.77619217E1   4.80614714E0  5.68137508E-2 -4.39675105E-5    3
  1.70399951E-8-2.61590876E-12   -2.8544259E4   1.23781282E1                   4
IQC3H5OHQ-SJ            H   7O   5C   3     G     300.0    5000.0  1430.0      1
   2.01633063E1  1.57355922E-2 -5.28426264E-6 8.10536228E-10-4.66373245E-14    2
  -3.70242993E4  -6.56524053E1    3.7515022E0  5.60926263E-2 -4.26964877E-5    3
  1.62818685E-8-2.44662581E-12  -3.16549841E4   2.15564729E1                   4
CHOCOHCH2OOH            H   6O   4C   3     G     300.0    5000.0  1384.0      1
   1.86816278E1  1.39658539E-2 -4.94259642E-6 7.85147166E-10-4.62881931E-14    2
  -5.97999375E4  -6.41155772E1   1.90697565E0  5.29537602E-2 -3.95708722E-5    3
  1.48146113E-8-2.23976588E-12  -5.39646718E4   2.60308355E1                   4
TQC3H5OHTO2             H   7O   5C   3     G     300.0    5000.0  1387.0      1
   2.02916342E1  1.92145529E-2 -8.58823433E-6  1.62509037E-9-1.06225627E-13    2
  -4.85976512E4  -7.10879629E1   2.11774097E0  7.25997025E-2 -6.81667819E-5    3
  3.13796075E-8-5.68565078E-12  -4.35518506E4    2.2358655E1                   4
OHCOCOOHCH3             H   6O   4C   3     G     300.0    5000.0  1393.0      1
   2.01819586E1  1.34325042E-2 -4.81163867E-6 7.56987137E-10-4.37448189E-14    2
  -7.33623538E4  -7.56343874E1 -1.96293682E-1  6.45815031E-2 -5.49196882E-5    3
  2.34355354E-8-4.01181684E-12  -6.66388685E4   3.25552353E1                   4
HO2CH2CHO               H   4O   3C   2     G     300.0    5000.0  1391.0      1
   1.51554685E1      7.5724E-3 -2.72693024E-6 4.38217189E-10-2.60434287E-14    2
   -3.4141968E4  -5.01255068E1  -1.32768631E0  5.21618601E-2 -4.97327645E-5    3
  2.31272366E-8-4.20787867E-12  -2.90608844E4   3.61860491E1                   4
CJCYCCO                 H   5O   1C   3     G     100.0    5000.0  953.43      1
   1.00996414E1  1.11440584E-2 -3.42659252E-6 6.29351335E-10-4.78414922E-14    2
   8.77655527E3  -2.74707859E1   2.82495917E0  1.53719247E-2   3.1286598E-5    3
 -5.25667055E-8 2.14848636E-11    1.1358749E4   1.35453549E1                   4
CCYCCJO                 H   5O   1C   3     G     100.0    5000.0  845.09      1
   1.22079143E1  4.33359971E-3  3.34775776E-6-9.86782049E-10 7.70139818E-14    2
   6.96595582E3  -3.93809096E1   2.72129761E0  1.71937247E-2  3.73948061E-5    3
 -7.27109186E-8 3.45672307E-11   9.71355875E3    1.1559461E1                   4
CH3OCHCH2               H   6O   1C   3     G     100.0    5000.0 1199.81      1
   5.93521292E0  2.12292298E-2 -9.05068398E-6   1.6904445E-9-1.17054051E-13    2
  -1.62589485E4  -4.06563544E0   2.83097346E0  2.16009857E-2  2.95817087E-6    3
  -1.1913066E-8 4.16161471E-12  -1.47959054E4   1.44687385E1                   4
NC3H7OH                 H   8O   1C   3     G     300.0    5000.0  1403.0      1
   1.12833724E1  1.71531932E-2   -5.560845E-6 8.32706677E-10-4.71118622E-14    2
  -3.64174301E4  -3.37180466E1  5.70007484E-2  4.17375704E-2 -2.49234034E-5    3
  7.16029301E-9-7.25069606E-13  -3.24306821E4   2.70290017E1                   4
C3H6OH1-1               H   7O   1C   3     G     300.0    5000.0  1388.0      1
   1.14795375E1  1.45881429E-2  -4.8835938E-6 7.47606975E-10 -4.2960836E-14    2
  -1.46832088E4  -3.36825807E1   1.13614529E0  3.68850655E-2 -2.24073579E-5    3
  6.62398992E-9-7.32206246E-13  -1.09273174E4   2.24919343E1                   4
C3H6OH1-2               H   7O   1C   3     G     298.0    3000.0  1000.0      1
   2.00388719E1 -8.18078581E-3   1.5012071E-5 -6.40300256E-9 8.67342181E-13    2
  -1.49106099E4  -7.63464356E1   1.57941557E1 -6.10763187E-2  1.99166967E-4    3
 -1.99047331E-7 6.64970235E-11  -1.05679468E4  -3.83995345E1                   4
C3H6OH1-3               H   7O   1C   3     G     300.0    5000.0  1398.0      1
   1.12537269E1  1.48842686E-2 -5.00124819E-6 7.67003856E-10-4.41140957E-14    2
  -1.10522005E4  -3.16714219E1   2.53522975E0  3.42021055E-2 -2.11910432E-5    3
  6.89184707E-9-9.29272171E-13  -7.89969902E3   1.55562988E1                   4
NC3H7O                  H   7O   1C   3     G     298.0    3000.0  1000.0      1
   3.71165592E0  2.98888018E-2 -1.50650214E-5  3.68054175E-9-3.53437601E-13    2
  -6.55169654E3   8.27016784E0   1.28341389E0  3.57266194E-2  -1.7696995E-5    3
  1.14202428E-9 1.40747781E-12  -5.88259252E3   2.09279823E1                   4
C3H5OH                  H   6O   1C   3     G     200.0    6000.0  1000.0      1
   8.72477114E0  1.63942712E-2 -5.90852993E-6 9.53262253E-10 -5.7031801E-14    2
  -1.90496618E4  -1.97198674E1   3.15011905E0  1.28538274E-2  4.28438434E-5    3
 -6.67818707E-8 2.80408237E-11  -1.66413668E4   1.35066359E1                   4
SC3H5OH                 H   6O   1C   3     G     298.0    3000.0  1000.0      1
   5.15026206E0  2.35923425E-2 -1.14263883E-5  2.70815158E-9-2.54145326E-13    2
  -2.06936916E4 -5.56559884E-1   2.73013612E0  3.03161502E-2 -1.65712529E-5    3
  2.50557776E-9 7.89611311E-13  -2.00786225E4   1.18162879E1                   4
CH2CCH2OH               H   5O   1C   3     G     300.0    5000.0  1375.0      1
   1.01414209E1  1.59074468E-2 -6.34171017E-6  1.07996859E-9-6.65243008E-14    2
   7.22325576E3  -2.88721491E1    6.3752653E0  1.12160109E-2  1.15640392E-5    3
 -1.20842737E-8 2.89498528E-12   1.01732852E4  -3.37208172E0                   4
IC3H7OH                 H   8O   1C   3     G     300.0    5000.0  1386.0      1
   1.25041367E1  1.62138229E-2 -5.35019502E-6 8.11483646E-10-4.63435081E-14    2
   -3.8997552E4  -4.25158566E1  2.53082165E-1  4.17885514E-2 -2.38155431E-5    3
  5.85131023E-9-3.55868677E-13  -3.45269684E4    2.4212506E1                   4
C3H6OH2-1               H   7O   1C   3     G     298.0    3000.0  1000.0      1
   6.11414519E0   2.4212332E-2 -1.12344701E-5  2.55293277E-9-2.30128197E-13    2
  -1.06549215E4  -2.82887333E0   2.73544355E0  3.56240446E-2 -2.51973981E-5    3
  9.75845743E-9-1.50573587E-12   -9.8740265E3   1.39971825E1                   4
TC3H6OH                 H   7O   1C   3     G     298.0    3000.0  1000.0      1
   4.81183516E0  2.71078205E-2 -1.33205888E-5   3.1957075E-9-3.02926183E-13    2
  -1.42182831E4   2.25103088E0   2.99938588E0   2.9735307E-2 -9.35910881E-6    3
 -5.36183826E-9  3.4781024E-12  -1.36568896E4   1.20700186E1                   4
IC3H7O                  H   7O   1C   3     G     298.0    3000.0  1000.0      1
   3.97830632E0  2.91186145E-2 -1.44865221E-5  3.50229508E-9-3.33520915E-13    2
  -7.90548136E3    5.3794563E0  9.86554785E-1  3.80805183E-2 -2.31947108E-5    3
   5.9982404E-9-9.14298018E-14   -7.1643567E3   2.05454298E1                   4
IC3H5OH                 H   6O   1C   3     G     300.0    5000.0  1374.0      1
   1.07381025E1  1.31698194E-2 -4.41529622E-6 6.77009837E-10-3.89608901E-14    2
  -2.47298321E4   -3.1363405E1   1.58376391E0  3.16215366E-2 -1.73664942E-5    3
  4.18927663E-9 -2.7989962E-13  -2.12643496E4   1.88313766E1                   4
CH3COCH2O2              H   5O   3C   3     G     300.0    5000.0  1397.0      1
   1.65756401E1  1.06465489E-2 -3.61368681E-6 5.59053564E-10-3.23832271E-14    2
  -2.42541401E4  -5.45304899E1   1.19378141E0  4.98027161E-2 -4.17999508E-5    3
  1.74527607E-8-2.88198761E-12  -1.93244224E4   2.67877493E1                   4
CH3COCH2O               H   5O   2C   3     G     300.0    5000.0  2002.0      1
   9.84061707E0  1.59181106E-2 -5.85164644E-6 9.56160073E-10-5.75477263E-14    2
  -2.11214823E4  -2.12330791E1   5.85960137E0  1.78954926E-2  7.41506398E-7    3
 -5.40032753E-9 1.47393197E-12  -1.90714739E4   2.70987883E0                   4
C3KET21                 H   6O   3C   3     G     300.0    5000.0  1394.0      1
   1.75768076E1  1.20311704E-2 -4.11633942E-6 6.40149366E-10-3.72127562E-14    2
  -4.15502347E4    -6.090971E1 -8.74352903E-1  6.12501498E-2 -5.51474542E-5    3
  2.48491014E-8-4.42613472E-12  -3.58060819E4   3.59306224E1                   4
CH3COCH3                H   6O   1C   3     G     300.0    5000.0  1394.0      1
   8.87619308E0  1.45700263E-2  -4.8482328E-6 7.38614777E-10-4.22831194E-14    2
  -3.06046242E4  -2.12730484E1   2.20008426E0  2.74019559E-2 -1.31342003E-5    3
  2.57150371E-9-6.21509091E-14  -2.79933966E4   1.55883508E1                   4
CH3COCH2                H   5O   1C   3     G     300.0    5000.0  1387.0      1
   1.09524298E1  1.11458668E-2 -3.86262877E-6 6.05088857E-10-3.53293362E-14    2
  -9.60833727E3  -3.15622776E1   1.13381826E0  3.25095045E-2 -2.10424651E-5    3
  6.64421151E-9-8.12618901E-13  -6.04868361E3   2.17158655E1                   4
C2H3CHO                 H   4O   1C   3     G     298.0    3000.0  1000.0      1
   4.27745325E0  2.08995067E-2 -1.10621906E-5  2.80392911E-9-2.76871274E-13    2
  -1.01465486E4   2.26814496E0   1.30858881E0  2.90665687E-2 -1.85267312E-5    3
  5.10575873E-9 -3.1235785E-13  -9.34139504E3   1.75831373E1                   4
C2H3CO                  H   3O   1C   3     G     298.0    3000.0  1000.0      1
   4.57165627E0  1.67235781E-2 -8.58791816E-6  2.13315141E-9-2.07752945E-13    2
   9.48746848E3   3.10327903E0   1.67431562E0  2.53644779E-2 -1.74055511E-5    3
  5.43382478E-9-4.34352533E-13   1.02237218E4   1.78417413E1                   4
C3H4OH1-OO3             H   5O   3C   3     G     200.0    3000.0  1000.0      1
     9.712666E0  2.13956214E-2 -1.04275672E-5  2.48967021E-9-2.35186006E-13    2
  -1.64030773E4  -1.83176481E1   3.44978698E0  3.94220087E-2 -2.61053268E-5    3
   4.3771232E-9 1.79161237E-12  -1.48046949E4   1.36214294E1                   4
CH2OHCHCHO              H   5O   2C   3     G     300.0    5000.0  1396.0      1
   1.27437977E1  1.15560145E-2 -3.88004291E-6 5.95822049E-10-3.43333212E-14    2
   -2.6635711E4   -3.9015417E1  9.44869573E-1  3.63059024E-2 -2.15428734E-5    3
  5.14003613E-9-2.16818532E-13  -2.23844726E4   2.51372516E1                   4
CH2OHCH(OO)CHO          H   5O   4C   3     G     300.0    5000.0  1391.0      1
   1.95910335E1  1.10654899E-2 -3.94179601E-6 6.28952604E-10-3.71962339E-14    2
  -4.22579561E4  -6.82897376E1  6.60992971E-2  6.21337098E-2 -5.59434692E-5    3
  2.49402766E-8-4.39803725E-12  -3.60635502E4   3.45708696E1                   4
CH2OHCH(OOH)CO          H   5O   4C   3     G     300.0    5000.0  1392.0      1
   2.01742923E1  1.01859136E-2 -3.64793118E-6 5.84123359E-10-3.46295698E-14    2
  -4.05344544E4  -7.06109304E1  2.70381272E-2  6.34306968E-2  -5.8316459E-5    3
   2.6285147E-8-4.65884967E-12  -3.42139188E4   3.53060673E1                   4
CH2OCH(OOH)CHO          H   5O   4C   3     G     300.0    5000.0  1388.0      1
   2.07890311E1   1.0150394E-2 -3.65036399E-6 5.86111027E-10-3.48128457E-14    2
  -3.27694717E4  -7.56412973E1   2.00957928E0  5.61618826E-2 -4.66324082E-5    3
  1.87674105E-8-2.97027121E-12  -2.65590273E4   2.42970488E1                   4
C2H3CHOHOJ              H   5O   2C   3     G     100.0    5000.0  747.72      1
   3.51421177E0  2.75632168E-2 -1.32991669E-5   2.5913691E-9-1.82682553E-13    2
  -1.53904978E4   1.55488096E1   2.41258117E0  3.85745284E-2 -4.56562561E-5    3
  4.05952897E-8-1.59500529E-11  -1.53688258E4   1.95865548E1                   4
C2H3COOH                H   4O   2C   3     G     100.0    5000.0 2312.89      1
   1.18117485E1  5.29978061E-3 -2.53648595E-6 4.59881701E-10-2.91768266E-14    2
  -3.92063331E4  -3.69372675E1   3.38944131E0  1.70998208E-2 -8.39552791E-6    3
  1.63165921E-9-9.99481343E-14  -3.45705798E4   1.23568379E1                   4
QCH3CHCO3H              H   5O   3C   3     G     300.0    5000.0  1000.0      1
    -8.086215E0   4.7274951E-2  -1.9958652E-5   3.7090899E-9 -2.5444856E-13    2
   -1.8149234E4    8.2573456E1  -6.7136055E-1   5.4743364E-2  -5.0515457E-5    3
   2.0677424E-8  -1.607709E-12   -2.3084125E4    3.3845646E1                   4
CH3#CHCOO#              H   4O   2C   3     G     300.0    5000.0  1000.0      1
    1.7730358E1   1.2743901E-3  -9.9893803E-8  2.7585688E-12  1.0903124E-16    2
   -4.1550984E4    -7.011068E1   -1.7855095E0   4.2802833E-2  -2.7446806E-5    3
   4.7921511E-9  5.4284479E-13   -3.4989598E4    3.5113026E1                   4
QCH2CH2CO3H             H   5O   3C   3     G     300.0    5000.0  1000.0      1
   -6.9969263E0   4.4672497E-2  -1.8460079E-5   3.3792991E-9 -2.2935245E-13    2
    -1.509725E4    7.9058784E1    -1.959846E0   6.4097308E-2  -7.2085219E-5    3
   4.0247649E-8 -7.9846017E-12   -1.9637729E4    4.1300991E1                   4
CCH2COOCH2#             H   4O   2C   3     G     300.0    5000.0  1000.0      1
    1.7730358E1   1.2743901E-3  -9.9893803E-8  2.7585688E-12  1.0903124E-16    2
   -4.1550984E4    -7.011068E1   -1.7855095E0   4.2802833E-2  -2.7446806E-5    3
   4.7921511E-9  5.4284479E-13   -3.4989598E4    3.5113026E1                   4
CH3CH(OO)CHO            H   5O   3C   3     G     300.0    5000.0  1393.0      1
   1.43787605E1   1.3404919E-2  -4.9812814E-6 8.55523297E-10-5.36378095E-14    2
  -2.22169412E4  -4.39244104E1  5.13860198E-1  4.91794584E-2  -4.0971082E-5    3
  1.75184758E-8-3.02105145E-12  -1.77576548E4   2.93105958E1                   4
QCH3CH(OOH)CO           H   5O   3C   3     G     300.0    5000.0  1406.0      1
   1.54753787E1  1.19855535E-2 -3.88647969E-6 5.82170268E-10-3.29481797E-14    2
  -2.12076656E4   -4.8562401E1 -2.34265079E-1   5.8011447E-2 -5.58943334E-5    3
  2.70757029E-8-5.10696754E-12  -1.67362113E4   3.24136213E1                   4
O2CH2CH2CHO             H   5O   3C   3     G     300.0    5000.0  1364.0      1
   1.42466486E1  1.38774326E-2 -4.72236872E-6 7.31412674E-10-4.23878488E-14    2
  -2.07174808E4  -4.30478483E1   5.39789371E0  2.95513603E-2 -1.30041275E-5    3
  1.37239592E-9 3.19056347E-13   -1.7118821E4    6.2938906E0                   4
QHO2CH2CH2CO            H   5O   3C   3     G     300.0    5000.0  1392.0      1
   1.50059645E1  1.21594781E-2 -4.23029617E-6 6.95971213E-10-4.26164619E-14    2
   -1.9511326E4   -4.5494152E1    4.6845456E0  3.77336804E-2 -2.89670492E-5    3
  1.17687715E-8-1.96356371E-12   -1.6066218E4   9.43165355E0                   4
QHO2CH2CHCHO            H   5O   3C   3     G     300.0    5000.0  1505.0      1
   1.53340853E1  1.19253609E-2 -4.09847639E-6 6.38827985E-10-3.71808649E-14    2
  -1.79686705E4  -5.04513425E1   2.50236904E0  3.91217942E-2 -2.40342724E-5    3
  6.16731213E-9-3.85985663E-13  -1.33565545E4   1.92448575E1                   4
CCY(CCOO)               H   5O   2C   3     G     100.0    5000.0 1399.71      1
   9.19669095E0  1.83444862E-2 -7.47318568E-6  1.34398078E-9-9.02656995E-14    2
   1.71156591E4  -2.22460799E1   2.26984426E0  3.32920499E-2 -1.82968839E-5    3
  4.02492659E-9-1.27179821E-13   1.95296342E4   1.51974891E1                   4
CY(CCCOO)               H   5O   2C   3     G     100.0    5000.0  870.64      1
   1.10620983E1  1.02890079E-2  3.44071652E-7-3.67513808E-10 3.11791715E-14    2
   6.47087618E3  -3.12288352E1   2.77779759E0  1.45126071E-2  5.13642245E-5    3
 -8.40736565E-8 3.68848184E-11   9.19585947E3   1.49555316E1                   4
CY(CCO)CO               H   5O   2C   3     G     100.0    5000.0  990.05      1
   9.63956733E0  1.65500601E-2 -6.37028201E-6  1.21982688E-9-8.96005523E-14    2
  -5.79365967E3  -2.29198579E1   2.61317697E0  2.05054819E-2  2.46545295E-5    3
  -4.4597882E-8 1.77742901E-11  -3.20493492E3   1.69554967E1                   4
CYC2H3OCHO              H   4O   2C   3     G     300.0    5000.0  1374.0      1
   8.70566732E0   1.8197935E-2 -7.29434992E-6   1.2469133E-9-7.70180076E-14    2
  -2.55049125E4  -2.12921665E1   7.12499787E0  4.70671619E-3  2.20592122E-5    3
 -1.80381528E-8 4.05467913E-12  -2.28419321E4  -6.04871852E0                   4
C2H5CHO                 H   6O   1C   3     G     298.0    3000.0  1000.0      1
   2.18064033E0  2.86296012E-2 -1.46253971E-5   3.6159418E-9-3.50828195E-13    2
  -2.45475248E4    1.6564222E1   5.17478484E0  8.50643399E-3  2.98201309E-5    3
 -3.68849444E-8 1.28335527E-11  -2.48069163E4   3.98600787E0                   4
C2H5CO                  H   5O   1C   3     G     200.0    6000.0  1000.0      1
   6.52325448E0  1.54211952E-2 -5.50898157E-6 8.85889862E-10-5.28846399E-14    2
  -7.19631634E3  -5.19862218E0   6.25722402E0 -9.17612184E-3  7.61190493E-5    3
 -9.05514997E-8 3.46198215E-11  -5.91616484E3   2.23330599E0                   4
CH2CH2CHO               H   5O   1C   3     G     300.0    5000.0  1437.0      1
   1.00673122E1  1.14971005E-2 -3.90137798E-6 6.03029101E-10-3.48958224E-14    2
  -2.75080876E3  -2.58818404E1   2.55799036E0  2.23391941E-2 -4.89741478E-6    3
 -3.58874384E-9  1.4717503E-12   4.53127696E2   1.67016285E1                   4
CH2CHCHOH               H   5O   1C   3     G     300.0    5000.0  1378.0      1
   1.15297558E1  1.14381097E-2 -4.04415495E-6 6.41949269E-10-3.78242456E-14    2
  -3.45486444E3  -3.65385497E1  4.06368169E-1  3.70231405E-2 -2.72202689E-5    3
  1.05783475E-8-1.73632514E-12   5.27160824E2   2.34781848E1                   4
CH3C(OH)CH              H   5O   1C   3     G     100.0    5000.0  919.43      1
   1.26923286E1  6.41552381E-3 -9.05373809E-7 8.95210996E-11-6.89036619E-15    2
   1.89266671E3  -4.05308456E1   2.24453209E0  3.04146455E-2 -5.05733147E-6    3
 -2.22788452E-8 1.29759284E-11   4.72069227E3   1.39275314E1                   4
PC4H9O                  H   9O   1C   4     G     300.0    5000.0  1396.0      1
   1.53371588E1  1.92789649E-2 -6.56856538E-6  1.01724003E-9-5.89183466E-14    2
  -1.41958782E4  -5.45071855E1   1.84659093E0  4.61054365E-2 -2.44856516E-5    3
  5.11293268E-9-1.07538298E-13  -9.09206746E3   1.95237441E1                   4
SC4H9O                  H   9O   1C   4     G     300.0    5000.0  1411.0      1
   1.52130012E1  1.90029969E-2 -6.39004701E-6 9.80774402E-10-5.64493733E-14    2
  -1.59888805E4  -5.43195369E1   2.01772535E0  4.70083969E-2 -2.74726645E-5    3
  7.36290028E-9-6.30414237E-13  -1.11892176E4   1.74371746E1                   4
PC4H9O2                 H   9O   2C   4     G     300.0    5000.0  1391.0      1
   1.66120049E1  2.04752336E-2 -7.01415262E-6   1.0901051E-9-6.32913959E-14    2
  -1.57901735E4  -5.79272276E1   1.80541406E0   5.2649306E-2 -3.30870383E-5    3
  1.04593484E-8-1.32305701E-12  -1.03866773E4   2.24829685E1                   4
SC4H9O2                 H   9O   2C   4     G     300.0    5000.0  1403.0      1
   1.68209433E1  1.98834074E-2 -6.71755569E-6  1.03411636E-9-5.96371075E-14    2
   -1.7581535E4  -5.95731156E1   2.27751066E0  5.44334651E-2 -3.82988187E-5    3
  1.42447767E-8-2.18864515E-12    -1.259091E4   1.83237264E1                   4
PC4H9O2H                H  10O   2C   4     G     300.0    5000.0  1393.0      1
   1.75610913E1  2.17832847E-2 -7.46366287E-6  1.16012068E-9-6.73630029E-14    2
  -3.30036118E4  -6.38547212E1   1.04177717E0  5.85996659E-2 -3.84212378E-5    3
  1.28728231E-8-1.75491358E-12    -2.707442E4   2.55179528E1                   4
SC4H9O2H                H  10O   2C   4     G     300.0    5000.0  1402.0      1
   1.78075939E1  2.12546017E-2 -7.20960281E-6  1.11291271E-9-6.43060022E-14    2
  -3.48455718E4   -6.5801147E1   1.44010868E0  6.05300206E-2 -4.36262678E-5    3
  1.66226146E-8 -2.6155693E-12  -2.92631492E4   2.17354113E1                   4
C4H8OOH1-2              H   9O   2C   4     G     300.0    5000.0  1389.0      1
   1.67810269E1  1.99677597E-2  -6.8525722E-6  1.06628911E-9-6.19616154E-14    2
   -9.1476276E3  -5.68667893E1   2.91878364E0  4.86143951E-2 -2.81342168E-5    3
  7.64456491E-9-7.32889491E-13  -3.94464787E3   1.89326241E1                   4
C4H8OOH1-3              H   9O   2C   4     G     300.0    5000.0  1396.0      1
   1.61247782E1   2.0242098E-2 -6.88631475E-6  1.06534945E-9-6.16599545E-14    2
  -9.16802012E3  -5.26575415E1   2.46292502E0  4.70131194E-2 -2.42145198E-5    3
   4.6540781E-9 1.62198662E-14  -3.95787917E3   2.24569578E1                   4
C4H8OOH1-4              H   9O   2C   4     G     300.0    5000.0  1393.0      1
   1.69217927E1  1.99305696E-2 -6.85727522E-6  1.06879474E-9-6.21774931E-14    2
  -7.87920857E3  -5.76630146E1   1.35984095E0  5.52812385E-2 -3.75640846E-5    3
  1.32624209E-8-1.93623296E-12  -2.34455867E3   2.63197893E1                   4
C4H8OOH2-1              H   9O   2C   4     G     300.0    5000.0  1404.0      1
    1.7764825E1  1.87777052E-2 -6.36410476E-6 9.81958228E-10-5.67252066E-14    2
  -9.93851667E3   -6.2816959E1   2.32205003E0   5.5503228E-2 -3.97237996E-5    3
  1.47353739E-8-2.22481777E-12  -4.67331585E3   1.98332327E1                   4
C4H8OOH2-3              H   9O   2C   4     G     300.0    5000.0  1403.0      1
   1.70353922E1  1.92729887E-2 -6.50684653E-6  1.00126173E-9-5.77270961E-14    2
  -1.09437234E4  -5.87403112E1   3.30289851E0  5.08231524E-2 -3.39615358E-5    3
  1.17622237E-8-1.66012808E-12  -6.13671017E3   1.51726178E1                   4
C4H8OOH2-4              H   9O   2C   4     G     300.0    5000.0  1403.0      1
   1.72354039E1  1.91946365E-2 -6.49946502E-6  1.00210964E-9-5.78559962E-14    2
  -9.71158144E3   -5.9898615E1   1.82672511E0  5.69912331E-2 -4.24389492E-5    3
  1.67119278E-8-2.70635765E-12  -4.54629884E3   2.22051948E1                   4
C4H8O1-2                H   8O   1C   4     G     300.0    5000.0  1463.0      1
   1.41886108E1   1.6316274E-2 -5.16581368E-6 7.60173986E-10-4.24548403E-14    2
  -2.02839382E4  -5.12817914E1  -4.29657099E0  6.75906816E-2 -5.89614134E-5    3
  2.59401158E-8-4.45926746E-12  -1.48799944E4   4.47755567E1                   4
C4H8O1-3                H   8O   1C   4     G     300.0    5000.0  1447.0      1
   1.32076917E1  1.77467973E-2 -5.69933762E-6 8.47771212E-10-4.77345874E-14    2
  -2.11717546E4   -4.7838642E1  -5.37284363E0  6.62224444E-2 -5.35318273E-5    3
  2.19451842E-8-3.54479816E-12  -1.54144887E4   4.98345472E1                   4
C4H8O1-4                H   8O   1C   4     G     300.0    5000.0  1484.0      1
   1.22763349E1   1.8910592E-2 -6.09113637E-6 9.08066245E-10-5.12149503E-14    2
  -2.92260872E4  -4.41235671E1  -7.78117916E0   6.9840506E-2  -5.4531592E-5    3
  2.13029617E-8-3.24666872E-12   -2.2899634E4   6.17620955E1                   4
C4H8O2-3                H   8O   1C   4     G     300.0    5000.0  1403.0      1
   1.06341771E1  2.41442268E-2 -1.13123977E-5  2.25480711E-9-1.54043041E-13    2
  -2.10383343E4  -3.36763636E1  -4.48183187E0   6.8931336E-2 -6.15371646E-5    3
  2.73743747E-8-4.85890996E-12  -1.68924193E4   4.38882874E1                   4
C4H8OOH1-2O2            H   9O   4C   4     G     300.0    5000.0  1400.0      1
    2.1573475E1  2.04528589E-2 -6.99497777E-6  1.08597818E-9-6.30071127E-14    2
  -2.88428166E4  -7.84560716E1   3.02241018E0  6.53862812E-2 -4.89645658E-5    3
  1.90437784E-8-3.02309317E-12  -2.25805572E4   2.05729328E1                   4
C4H8OOH1-3O2            H   9O   4C   4     G     300.0    5000.0  1400.0      1
    2.1573475E1  2.04528589E-2 -6.99497777E-6  1.08597818E-9-6.30071127E-14    2
  -2.88428166E4  -7.84560716E1   3.02241018E0  6.53862812E-2 -4.89645658E-5    3
  1.90437784E-8-3.02309317E-12  -2.25805572E4   2.05729328E1                   4
C4H8OOH1-4O2            H   9O   4C   4     G     300.0    5000.0  1387.0      1
    2.2639337E1  1.98017374E-2 -6.92349554E-6  1.09100182E-9-6.39617643E-14    2
  -2.75442161E4  -8.40747892E1   2.91974455E0  6.34948347E-2 -4.29699499E-5    3
  1.42283155E-8-1.84506244E-12  -2.04867301E4   2.26279495E1                   4
C4H8OOH2-1O2            H   9O   4C   4     G     300.0    5000.0  1400.0      1
    2.1573475E1  2.04528589E-2 -6.99497777E-6  1.08597818E-9-6.30071127E-14    2
  -2.88428166E4  -7.84560716E1   3.02241018E0  6.53862812E-2 -4.89645658E-5    3
  1.90437784E-8-3.02309317E-12  -2.25805572E4   2.05729328E1                   4
C4H8OOH2-3O2            H   9O   4C   4     G     300.0    5000.0  1408.0      1
   2.19463055E1  1.97307584E-2  -6.6576538E-6  1.02424556E-9-5.90486257E-14    2
  -3.07772334E4  -8.12053531E1   3.34683971E0  6.67468082E-2 -5.25088611E-5    3
  2.14288389E-8-3.53381793E-12  -2.47340662E4   1.73189003E1                   4
C4H8OOH2-4O2            H   9O   4C   4     G     300.0    5000.0  1400.0      1
    2.1573475E1  2.04528589E-2 -6.99497777E-6  1.08597818E-9-6.30071127E-14    2
  -2.88428166E4  -7.84560716E1   3.02241018E0  6.53862812E-2 -4.89645658E-5    3
  1.90437784E-8-3.02309317E-12  -2.25805572E4   2.05729328E1                   4
C4H71-2,4OOH            H   9O   4C   4     G     300.0    5000.0  1398.0      1
   2.18629952E1  1.99359398E-2 -6.85103949E-6  1.06712096E-9-6.20561893E-14    2
  -2.10042547E4  -7.80706874E1   2.99387028E0  6.52913914E-2 -4.87958562E-5    3
  1.88107554E-8-2.95256716E-12  -1.46021097E4   2.27763716E1                   4
C4H72-1,3OOH            H   9O   4C   4     G     300.0    5000.0  1395.0      1
   2.14626449E1  2.02946207E-2 -6.97889021E-6  1.08750673E-9-6.32605387E-14    2
  -2.22196721E4  -7.60671568E1   3.85542428E0  6.05523559E-2 -4.18122063E-5    3
  1.46680029E-8-2.07881996E-12  -1.60359412E4   1.87734959E1                   4
C4H72-1,4OOH            H   9O   4C   4     G     300.0    5000.0  1387.0      1
   2.10228668E1  2.10127561E-2 -7.30349553E-6  1.14623341E-9-6.70076491E-14    2
  -2.02908167E4  -7.29927491E1   3.41714555E0  5.89885977E-2 -3.76843121E-5    3
  1.18450422E-8-1.46347291E-12  -1.38437952E4   2.27094787E1                   4
C4H71-2,3OOH            H   9O   4C   4     G     300.0    5000.0  1406.0      1
   2.22828679E1  1.92253507E-2 -6.52860872E-6  1.00881573E-9-5.83408336E-14    2
  -2.29719991E4  -8.11231836E1   3.30790561E0   6.6651324E-2 -5.21744859E-5    3
  2.10434152E-8-3.42495389E-12  -1.67536738E4   1.95806784E1                   4
C4H7O1-3OOH-4           H   8O   3C   4     G     300.0    5000.0  1418.0      1
   1.87250111E1  1.88463312E-2 -6.40165949E-6 9.89754621E-10-5.72727585E-14    2
   -3.2982573E4  -7.18225468E1  -5.40949665E0  8.05102667E-2  -6.6464603E-5    3
  2.73711905E-8-4.44856733E-12   -2.5300524E4   5.56327196E1                   4
C4H7O1-3OOH-2           H   8O   3C   4     G     300.0    5000.0  1425.0      1
   1.97110479E1  1.79060432E-2 -6.05724664E-6 9.34110479E-10-5.39628469E-14    2
  -3.52532541E4  -7.83129016E1  -4.68244067E0  8.03419743E-2   -6.672647E-5    3
    2.740813E-8-4.41623778E-12  -2.75307409E4   5.04193128E1                   4
C4H7O1-2OOH-4           H   8O   3C   4     G     300.0    5000.0  1417.0      1
   1.96187267E1  1.77382423E-2 -6.03563743E-6 9.34268374E-10-5.41073277E-14    2
  -3.21917914E4  -7.50295988E1  -3.06056578E0  7.52777235E-2 -6.16382083E-5    3
  2.51520765E-8-4.05109146E-12  -2.49310387E4   4.48871201E1                   4
C4H7O1-4OOH-2           H   8O   3C   4     G     300.0    5000.0  1470.0      1
   1.74906412E1  1.87794733E-2 -6.05491558E-6 9.03185679E-10 -5.0957187E-14    2
  -4.22716632E4   -6.5186033E1  -5.17426936E0  7.89225917E-2 -6.62654132E-5    3
  2.77698767E-8 -4.5437784E-12  -3.53780833E4   5.35508489E1                   4
C4H7O1-2OOH-3           H   8O   3C   4     G     300.0    5000.0  1435.0      1
   1.83476383E1  1.72627711E-2 -5.53440131E-6 8.21396496E-10-4.61479654E-14    2
  -3.29223599E4  -6.69919656E1 -9.44964311E-1  7.31026695E-2 -6.71227799E-5    3
   3.1225229E-8-5.67206759E-12  -2.74510619E4   3.25427282E1                   4
C4H7O2-3OOH-1           H   8O   3C   4     G     300.0    5000.0  1424.0      1
   2.03028185E1  1.69331534E-2 -5.71128715E-6 8.79005552E-10-5.07088176E-14    2
   -3.4345147E4  -7.95919117E1  -3.04171082E0   7.7525474E-2 -6.55776743E-5    3
  2.74944445E-8-4.52476822E-12  -2.70343494E4    4.3313681E1                   4
C4H72-1OOH              H   8O   2C   4     G     300.0    5000.0  1394.0      1
   1.57821769E1  1.83478191E-2 -6.22052512E-6 9.60238594E-10-5.54947738E-14    2
  -1.71462438E4  -5.30236541E1  5.20573481E-1  5.42543796E-2 -3.85597337E-5    3
  1.42390245E-8-2.15289461E-12  -1.18857077E4   2.88267978E1                   4
NC4KET12                H   8O   3C   4     G     300.0    5000.0  1389.0      1
   2.17577434E1  1.64473301E-2 -5.79961988E-6 9.19149624E-10-5.41037382E-14    2
  -4.47115295E4  -8.37725285E1 -7.24231793E-1  7.26648886E-2  -6.0477919E-5    3
  2.54348857E-8-4.30152907E-12  -3.72936909E4   3.56276963E1                   4
NC4KET13                H   8O   3C   4     G     300.0    5000.0  1411.0      1
   1.93085398E1  1.73455091E-2 -5.85046818E-6 9.00297947E-10-5.19274609E-14    2
  -4.51023813E4  -7.04869509E1   3.31775682E0  5.28482064E-2 -3.43211665E-5    3
  1.04562704E-8-1.12796519E-12  -3.94868388E4   1.58443308E1                   4
NC4KET14                H   8O   3C   4     G     300.0    5000.0  1385.0      1
   1.89231898E1  1.82270124E-2 -6.27434124E-6 9.78729382E-10-5.69844333E-14    2
  -4.32508875E4  -6.78717188E1   2.92378737E0  5.07578011E-2 -2.88360718E-5    3
  6.64649914E-9-2.83907499E-13  -3.72946444E4   1.96328202E1                   4
NC4KET21                H   8O   3C   4     G     300.0    5000.0  1389.0      1
   2.10786402E1  1.61788162E-2 -5.53076294E-6 8.59641186E-10-4.99535144E-14    2
  -4.57563821E4  -7.88014765E1 -3.88449068E-1  6.92735051E-2 -5.58731127E-5    3
  2.25791086E-8-3.63900158E-12  -3.86875801E4    3.5294809E1                   4
NC4KET23                H   8O   3C   4     G     300.0    5000.0  1411.0      1
   1.76877593E1  1.84820224E-2 -6.18384585E-6 9.45792334E-10-5.42981801E-14    2
  -4.78594254E4  -6.06681612E1   3.56926969E0  5.20285891E-2 -3.64134216E-5    3
  1.32007682E-8-1.93576774E-12  -4.30650503E4   1.48669401E1                   4
NC4KET24                H   8O   3C   4     G     300.0    5000.0  1394.0      1
   1.74146206E1  1.92744267E-2 -6.57971403E-6  1.02023879E-9-5.91418353E-14    2
  -4.60663138E4  -5.80320911E1   3.12062686E0  5.01343936E-2  -3.1019495E-5    3
  9.36512355E-9-1.07548923E-12   -4.0864427E4   1.96071994E1                   4
C4H71-3OOH              H   8O   2C   4     G     300.0    5000.0  1402.0      1
   1.56878552E1  1.84587978E-2 -6.26237062E-6   9.668875E-10  -5.587879E-14    2
  -1.77050056E4  -5.22788542E1    1.5720543E0  5.09799175E-2 -3.46252518E-5    3
  1.21001485E-8-1.71484187E-12  -1.27789223E4   2.36553208E1                   4
C4H71-4OOH              H   8O   2C   4     G     300.0    5000.0  1392.0      1
   1.59871304E1  1.86028119E-2 -6.40003189E-6 9.97531711E-10-5.80334203E-14    2
  -1.70152141E4  -5.46227137E1   1.31653247E0  5.16546159E-2 -3.47310922E-5    3
  1.20405755E-8-1.71650639E-12  -1.17754576E4   2.46384545E1                   4
C4H71-3,4OOH            H   9O   4C   4     G     300.0    5000.0  1400.0      1
   2.18394783E1  1.98802807E-2 -6.81505369E-6  1.05975117E-9-6.15560073E-14    2
  -2.09468667E4  -7.79984909E1   2.56890026E0  6.71962184E-2 -5.16999792E-5    3
  2.05770379E-8 -3.3291431E-12    -1.451256E4   2.46332539E1                   4
C4H72-3,4OOH            H   9O   4C   4     G     300.0    5000.0  1395.0      1
   2.14626449E1  2.02946207E-2 -6.97889021E-6  1.08750673E-9-6.32605387E-14    2
  -2.22196721E4  -7.60671568E1   3.85542428E0  6.05523559E-2 -4.18122063E-5    3
  1.46680029E-8-2.07881996E-12  -1.60359412E4   1.87734959E1                   4
C4H71-O                 H   7O   1C   4     G     300.0    5000.0  1395.0      1
   1.45580641E1  1.61030756E-2 -5.65736991E-6 8.94192859E-10-5.25294685E-14    2
   -1.5176109E2  -5.02288099E1   2.96004734E0  3.83211316E-2 -2.04859258E-5    3
  4.77379501E-9-3.32725518E-13   4.45054328E3   1.39372466E1                   4
C4H10                   H  10C   4          G     300.0    5000.0  1392.0      1
   1.24923813E1  2.15951935E-2 -7.34277611E-6  1.13529859E-9-6.56730149E-14    2
  -2.17598985E4  -4.41546866E1 -9.20862487E-2  4.69703816E-2 -2.54761945E-5    3
  6.35894738E-9-5.16005946E-13  -1.69556758E4   2.49101571E1                   4
PC4H9                   H   9C   4          G     300.0    5000.0  1393.0      1
   1.18547949E1  1.96962095E-2 -6.71054229E-6  1.03891144E-9-6.01513573E-14    2
   3.38182243E3  -3.72343446E1  4.09644702E-1  4.29511341E-2 -2.36582809E-5    3
  6.15744917E-9-5.64300671E-13    7.7431915E3   2.55312526E1                   4
SC4H9                   H   9C   4          G     300.0    5000.0  1682.0      1
   9.25139144E0  2.24301385E-2 -7.82648592E-6   1.2355946E-9-7.26249864E-14    2
   3.11148804E3  -2.16080436E1  9.42662332E-1   3.7741453E-2 -1.58911963E-5    3
  1.75489317E-9  2.8972575E-13   6.20542636E3   2.42126605E1                   4
TC4H9O                  H   9O   1C   4     G     300.0    5000.0  1373.0      1
   1.51889028E1   2.0147561E-2 -7.03124743E-6  1.10634275E-9-6.47863602E-14    2
  -1.85728281E4  -5.68068356E1   4.11245323E0  3.82049645E-2 -1.49012588E-5    3
 6.45321553E-10 5.86115592E-13  -1.38207918E4   5.66243109E0                   4
IC4H9O                  H   9O   1C   4     G     300.0    5000.0  1402.0      1
   1.49421227E1  1.93741698E-2 -6.54752781E-6   1.0082861E-9-5.81656529E-14    2
  -1.49775648E4  -5.33188211E1   1.09851986E0  5.02843927E-2 -3.22536137E-5    3
  1.04323043E-8 -1.3354625E-12  -1.00529442E4   2.14919206E1                   4
IC3H7CHO                H   8O   1C   4     G     300.0    5000.0  1394.0      1
    1.2976692E1  1.87000663E-2 -6.35895549E-6  9.8332793E-10-5.68904057E-14    2
  -3.27088179E4  -4.32219468E1    1.8622042E0  3.98563193E-2 -1.94105801E-5    3
  3.33397221E-9 1.06658598E-13   -2.8377252E4   1.81586444E1                   4
SC4H7OH-I               H   8O   1C   4     G     300.0    5000.0  1402.0      1
   1.34330784E1  1.79508756E-2 -6.02080685E-6 9.22260135E-10-5.29997986E-14    2
  -2.88426255E4  -4.51691129E1 -6.20160937E-1  5.44765221E-2  -4.3361919E-5    3
  1.85775528E-8-3.26546366E-12  -2.43092156E4   2.90306779E1                   4
SC4H7OH-IP              H   7O   1C   4     G     300.0    5000.0  1404.0      1
   1.28532722E1  1.59115633E-2 -5.32043943E-6 8.13219296E-10-4.66608023E-14    2
  -3.70066328E3  -3.92170407E1 -2.57966648E-1  5.11048685E-2 -4.24292949E-5    3
  1.88176967E-8-3.38705165E-12   4.09454265E2   2.95998265E1                   4
SC4H7OOH-I              H   8O   3C   4     G     300.0    5000.0  1403.0      1
   1.89485904E1  1.74675392E-2 -5.84994408E-6 8.95620528E-10-5.14642204E-14    2
  -3.92449431E4     -6.75023E1 -8.92616955E-1  7.21005911E-2 -6.44218369E-5    3
  2.95473487E-8-5.37907411E-12  -3.32203693E4   3.60559606E1                   4
SC4H7O-I                H   7O   2C   4     G     300.0    5000.0  1450.0      1
   2.00585876E1  1.40365223E-2 -5.05965236E-6 8.13566514E-10-4.83692115E-14    2
  -2.25274829E4  -8.08206413E1   6.05402039E0  3.22112205E-2 -2.60340764E-6    3
 -9.99139753E-9  3.4415577E-12  -1.63561162E4 -6.89087519E-1                   4
IC4H6OH                 H   7O   1C   4     G     300.0    5000.0  1402.0      1
   1.53490714E1  1.38856699E-2 -4.56427754E-6  6.9041869E-10-3.93540403E-14    2
  -1.20164758E4   -5.5597553E1  -1.46664187E0  6.03351671E-2 -5.43112644E-5    3
  2.49299933E-8-4.52282491E-12  -6.95012413E3   3.20768458E1                   4
IC3H7CO                 H   7O   1C   4     G     300.0    5000.0  1393.0      1
    1.2586308E1  1.65238947E-2 -5.61743965E-6 8.68554008E-10-5.02473367E-14    2
  -1.37567304E4  -3.94621018E1   2.57209982E0  3.53095269E-2 -1.66919705E-5    3
  2.44662394E-9 2.33864246E-13  -9.83843227E3   1.59199901E1                   4
IC3H6CHO                H   7O   1C   4     G     300.0    5000.0  1395.0      1
   1.24044546E1  1.66628632E-2 -5.66157213E-6 8.75016713E-10-5.06054669E-14    2
  -7.58164276E3  -3.66465169E1   2.21808419E0  3.64322475E-2 -1.83733544E-5    3
  3.52192722E-9-8.37387201E-15  -3.65519377E3   1.94646784E1                   4
TC3H6CHO                H   7O   1C   4     G     300.0    5000.0  1382.0      1
   1.28170473E1  1.63863074E-2 -5.58241271E-6 8.64342353E-10  -5.005167E-14    2
  -1.33106445E4  -4.19080121E1   4.10473726E0  3.17646401E-2 -1.35943689E-5    3
   1.3601426E-9 3.48270608E-13  -9.76048594E3   6.69198472E0                   4
IC3H5CHO                H   6O   1C   4     G     300.0    5000.0  1396.0      1
   1.33892118E1   1.3911542E-2 -4.75820958E-6 7.38736618E-10-4.28606559E-14    2
  -1.97917448E4  -4.60146004E1   1.09372823E0  4.43315368E-2 -3.41918451E-5    3
  1.39369607E-8 -2.3379146E-12  -1.56745978E4   1.94458467E1                   4
IC3H6CO                 H   6O   1C   4     G     300.0    5000.0  1397.0      1
   1.32548232E1  1.40142787E-2 -4.78910215E-6 7.42924342E-10-4.30737566E-14    2
  -2.00529779E4  -4.44810221E1   2.28039055E0  4.17016989E-2 -3.25089661E-5    3
  1.37243419E-8-2.40573132E-12  -1.63939712E4   1.38187714E1                   4
IC3H5CO                 H   5O   1C   4     G     300.0    5000.0  1396.0      1
   1.29634401E1  1.17954996E-2 -4.04361488E-6 6.28771516E-10-3.65209867E-14    2
  -8.26519462E2  -4.20562575E1    1.8730699E0  3.95188508E-2 -3.11404053E-5    3
  1.28844447E-8-2.18165308E-12   2.85270691E3   1.68774016E1                   4
IC3H4CHO-A              H   5O   1C   4     G     300.0    5000.0  1392.0      1
   1.41736959E1  1.09161978E-2 -3.69020878E-6 5.69228087E-10-3.29023246E-14    2
  -1.92867979E3   -5.0266374E1  7.64345054E-1  4.45242412E-2  -3.6103372E-5    3
  1.48295287E-8 -2.4380929E-12   2.44732544E3   2.08541848E1                   4
IC4H8O                  H   8O   1C   4     G     100.0    5000.0  852.74      1
     1.277426E1  1.54858639E-2 -1.19899823E-6-1.63389764E-10 2.10586048E-14    2
  -2.03983886E4  -4.32365596E1   1.96926347E0   3.3814068E-2  2.34751734E-5    3
 -6.39483957E-8 3.17656975E-11  -1.73792238E4   1.40677752E1                   4
TC3H6O2HCO              H   7O   3C   4     G     300.0    5000.0  1387.0      1
   2.06472678E1    1.485265E-2 -5.25104875E-6 8.33619219E-10-4.91256069E-14    2
  -2.88719869E4  -7.95951389E1   2.03864428E0  5.80421003E-2 -4.32123528E-5    3
  1.58792094E-8-2.32209543E-12  -2.24284673E4    2.0368099E1                   4
TC3H6OCHO               H   7O   2C   4     G     300.0    5000.0  1394.0      1
   1.70371287E1  1.54400645E-2 -5.28332886E-6 8.21085347E-10-4.76898429E-14    2
  -2.75871941E4   -6.3727123E1  3.70830259E-1  5.38475661E-2 -3.82477565E-5    3
  1.32882237E-8 -1.7922873E-12  -2.18391262E4   2.58142112E1                   4
IC4H9O2                 H   9O   2C   4     G     300.0    5000.0  1396.0      1
   1.65502468E1  2.03894477E-2 -6.95256802E-6  1.07704804E-9 -6.2388229E-14    2
  -1.63179416E4  -5.86704281E1   6.6428765E-1  5.92637819E-2  -4.4299953E-5    3
  1.77847468E-8-2.97286552E-12  -1.09294589E4   2.61006936E1                   4
TC4H9O2                 H   9O   2C   4     G     300.0    5000.0  1397.0      1
   1.64403992E1  2.03443665E-2 -6.90545661E-6  1.06633114E-9-6.16257134E-14    2
  -2.06885036E4  -6.05439541E1   1.79239003E0  5.67672897E-2 -4.27700336E-5    3
  1.75928326E-8-3.02813253E-12  -1.57527539E4   1.74575453E1                   4
IC4H8O2H-I              H   9O   2C   4     G     300.0    5000.0  1398.0      1
   1.69514886E1  1.96565122E-2 -6.70712507E-6  1.03952009E-9-6.02352953E-14    2
  -8.80398976E3  -5.81810331E1  2.36576125E-1  6.18274658E-2 -4.85588184E-5    3
  2.03310238E-8-3.50400054E-12  -3.27357731E3   3.05430182E1                   4
IC4H8O2H-T              H   9O   2C   4     G     300.0    5000.0  1385.0      1
   1.58918892E1  2.06730298E-2  -7.0850682E-6  1.10147653E-9-6.39664273E-14    2
  -1.09442141E4  -5.20875566E1   3.07062149E0  4.48451773E-2 -2.18981348E-5    3
   3.8036668E-9 9.33329943E-14  -5.89846659E3   1.88457783E1                   4
TC4H8O2H-I              H   9O   2C   4     G     300.0    5000.0  1398.0      1
   1.68352287E1  1.96158735E-2 -6.66131447E-6  1.02898137E-9-5.94821251E-14    2
  -1.27892425E4  -6.07060681E1   1.39863035E0  5.91711117E-2 -4.67927747E-5    3
  1.99945694E-8 -3.5276798E-12  -7.71921897E3   2.10553268E1                   4
CC4H8O                  H   8O   1C   4     G     100.0    5000.0  882.04      1
   9.94106056E0  1.95445153E-2 -3.20216014E-6 2.72555346E-10-1.29897362E-14    2
  -1.81943272E4  -2.88134674E1   2.66099211E0  1.55575127E-2  6.65037335E-5    3
 -9.99737478E-8 4.18806729E-11  -1.54707183E4   1.35540926E1                   4
IC4H8OOH-IO2            H   9O   4C   4     G     300.0    5000.0  1397.0      1
    2.1603025E1  2.05744232E-2 -7.06861366E-6  1.10071529E-9 -6.3994598E-14    2
  -2.79319407E4  -7.82672725E1   1.79333344E0  7.08585563E-2 -5.71423408E-5    3
  2.41954633E-8-4.18040646E-12  -2.14284369E4   2.67425141E1                   4
IC4H8OOH-TO2            H   9O   4C   4     G     300.0    5000.0  1397.0      1
   2.14971595E1  2.05230111E-2 -7.01862629E-6  1.08947444E-9-6.31984498E-14    2
  -3.19199633E4  -8.08549862E1   2.88532973E0  6.85462578E-2 -5.59017425E-5    3
  2.41853748E-8-4.27579877E-12  -2.58644518E4   1.75669843E1                   4
TC4H8OOH-IO2            H   9O   4C   4     G     300.0    5000.0  1397.0      1
   2.14971595E1  2.05230111E-2 -7.01862629E-6  1.08947444E-9-6.31984498E-14    2
  -3.19199633E4  -8.08549862E1   2.88532973E0  6.85462578E-2 -5.59017425E-5    3
  2.41853748E-8-4.27579877E-12  -2.58644518E4   1.75669843E1                   4
IC4KETII                H   8O   3C   4     G     300.0    5000.0  1396.0      1
   1.80532391E1   1.8841121E-2 -6.45472857E-6  1.00330789E-9-5.82612587E-14    2
  -4.39462527E4  -6.43254899E1   2.90712469E0  5.18272292E-2 -3.27937625E-5    3
  1.00565978E-8 -1.1647857E-12  -3.84811883E4    1.7810076E1                   4
IC4KETIT                H   8O   3C   4     G     300.0    5000.0  1388.0      1
   2.18540247E1  1.63159801E-2 -5.74387588E-6 9.09404654E-10-5.34954586E-14    2
  -4.69965758E4  -8.73908175E1  2.49840271E-1  6.82139739E-2 -5.34836261E-5    3
  2.09168011E-8-3.27534096E-12  -3.96942865E4    2.8036763E1                   4
TIC4H7Q2-I              H   9O   4C   4     G     300.0    5000.0  1399.0      1
   2.18907783E1  1.97980385E-2  -6.7762254E-6  1.05244937E-9 -6.1075847E-14    2
  -2.40197593E4   -8.0319812E1   2.51722049E0   7.0846555E-2   -5.977427E-5    3
  2.64959462E-8-4.75554291E-12  -1.78351196E4   2.17330572E1                   4
IIC4H7Q2-I              H   9O   4C   4     G     300.0    5000.0  1399.0      1
   2.19675802E1  1.98626972E-2 -6.82817963E-6  1.06372042E-9 -6.1862369E-14    2
  -2.00151718E4  -7.82483264E1   1.38028011E0  7.33737301E-2 -6.14052686E-5    3
  2.67722991E-8 -4.7215049E-12  -1.33923032E4   3.04212014E1                   4
IIC4H7Q2-T              H   9O   4C   4     G     300.0    5000.0  1379.0      1
   2.18350589E1  2.04316457E-2 -7.12958582E-6  1.12205108E-9-6.57258116E-14    2
  -2.27472121E4  -7.79937167E1   4.05162864E0  5.52104766E-2 -2.96323166E-5    3
  5.83207271E-9 7.32315096E-15  -1.59531744E4   1.98176067E1                   4
IC4H7OOH                H   8O   2C   4     G     300.0    5000.0  1425.0      1
    1.4477813E1  2.00176051E-2 -6.38000134E-6 9.43456882E-10-5.28823593E-14    2
   -1.6720753E4  -4.61591612E1 -4.17611045E-1  5.77650805E-2 -4.27135576E-5    3
  1.66549177E-8-2.61827018E-12  -1.19563554E4   3.26001977E1                   4
IC4H9O2H                H  10O   2C   4     G     300.0    5000.0  1397.0      1
   1.75257913E1   2.1695796E-2 -7.40610196E-6  1.14817328E-9-6.65439785E-14    2
  -3.39329222E4  -6.47706239E1 -1.40252512E-1  6.53579059E-2 -4.97668595E-5    3
  2.02567164E-8-3.41557368E-12  -2.79928203E4   2.93312681E1                   4
TC4H9O2H                H  10O   2C   4     G     300.0    5000.0  1397.0      1
   1.74091563E1  2.16498694E-2 -7.35726095E-6  1.13703858E-9-6.57512161E-14    2
   -3.7916922E4  -6.66008499E1    1.0482232E0  6.25767968E-2 -4.78095308E-5    3
  1.97968913E-8-3.41101635E-12  -3.24422541E4   2.04122472E1                   4
IC4H10                  H  10C   4          G     300.0    5000.0  1397.0      1
   1.26422737E1  2.14133551E-2 -7.26711536E-6  1.12207226E-9-6.48434177E-14    2
  -2.28293782E4  -4.66059659E1  -1.07413829E0   5.2461832E-2 -3.42407949E-5    3
  1.18817533E-8-1.73238254E-12  -1.79218932E4   2.74851665E1                   4
IC4H9                   H   9C   4          G     200.0    3000.0  1000.0      1
   4.15799861E0  3.36085118E-2 -1.60739661E-5  3.75201068E-9-3.46451889E-13    2
   5.80641373E3   4.66523577E0   4.09303931E0  1.55039896E-2  5.02390808E-5    3
  -7.6852237E-8 3.21142302E-11   6.47821058E3   8.81486938E0                   4
TC4H9                   H   9C   4          G     200.0    3000.0  1000.0      1
   1.54323549E0  3.71873931E-2 -1.80298367E-5  4.23947348E-9-3.92671737E-13    2
   3.90940376E3   1.87436533E1   9.11964468E0 -2.24552563E-2  1.31624253E-4    3
 -1.49846692E-7 5.61056444E-11   3.49150086E3  -1.15392465E1                   4
IC4H7O2                 H   7O   2C   4     G     300.0    5000.0  1400.0      1
    1.4698577E1  1.63053754E-2 -5.42530561E-6 8.26739426E-10-4.73443541E-14    2
  -1.17858643E2   -4.5063936E1   4.15084299E0  3.94752452E-2 -2.41391105E-5    3
  7.35785373E-9-8.62734111E-13   3.66398034E3   1.20572678E1                   4
IC4H6OOH-I              H   7O   2C   4     G     300.0    5000.0  1405.0      1
   1.59806985E1  1.59781407E-2 -5.29783783E-6 8.05692146E-10-4.60836172E-14    2
    6.6214114E2  -5.42493681E1  -1.31470525E0  6.26867271E-2 -5.42175698E-5    3
   2.4162685E-8-4.29112187E-12   5.98065597E3   3.63048635E1                   4
CCYCCOOC-T1             H   7O   2C   4     G     300.0    5000.0  1394.0      1
   1.68269657E1  1.64471921E-2 -5.63767184E-6 8.78001611E-10-5.10959632E-14    2
  -3.65710841E3  -6.74096786E1  -5.29767923E0  6.65082201E-2 -4.67054235E-5    3
  1.51029775E-8-1.74322091E-12   3.97935712E3   5.16412476E1                   4
C2CYCOOC-I1             H   7O   2C   4     G     300.0    5000.0  1367.0      1
   1.87629973E1  1.50367878E-2  -5.3801721E-6 8.60853071E-10-5.10054654E-14    2
   8.73336309E3  -7.56880157E1   1.27587809E0  5.28857775E-2 -3.71879366E-5    3
  1.40170234E-8-2.46252972E-12   1.51755285E4   1.94581533E1                   4
CCYCCOOC-I2             H   7O   2C   4     G     300.0    5000.0  1398.0      1
   1.63388791E1  1.65879474E-2 -5.61829108E-6 8.67331033E-10-5.01476782E-14    2
   6.66946988E3   -6.4032204E1  -4.55772603E0  7.10221387E-2  -6.0522843E-5    3
  2.61773944E-8-4.51390528E-12   1.32922215E4   4.60828737E1                   4
IC3H5OOCH2              H   7O   2C   4     G     300.0    5000.0  1396.0      1
   1.19659532E1  1.88149897E-2 -6.32218756E-6 9.69163065E-10 -5.5709943E-14    2
   6.90000073E3  -2.90610993E1   4.32470732E0  3.64907235E-2 -2.30507078E-5    3
   8.6902626E-9-1.48780775E-12    9.7016389E3   1.22549044E1                   4
CHOIC3H6O               H   7O   2C   4     G     300.0    5000.0  1386.0      1
    1.5551197E1  1.67360034E-2 -5.73573457E-6 8.92095191E-10-5.18351848E-14    2
  -2.50674335E4  -5.23215658E1  2.55559437E-1  5.22086026E-2 -3.72283766E-5    3
   1.3671442E-8-2.05638885E-12  -1.97284649E4   2.99210251E1                   4
CVCYCCOC                H   6O   1C   4     G     300.0    5000.0  1397.0      1
   1.14363523E1  1.63250968E-2 -5.57146218E-6 8.63795613E-10-5.00701899E-14    2
   -5.4465345E3  -3.87179379E1  -2.45566808E0  4.88377067E-2 -3.46186324E-5    3
  1.26590643E-8-1.88737988E-12   -6.4346088E2   3.58434061E1                   4
CCYC2OCO                H   7O   2C   4     G     300.0    5000.0  1401.0      1
   1.64352871E1   1.6584321E-2 -5.71790511E-6 8.92586562E-10-5.19865043E-14    2
  -1.60938498E4  -5.96946106E1  -2.97381263E0   6.7561516E-2 -5.79901709E-5    3
  2.55213006E-8-4.49991674E-12  -9.93607156E3   4.25127997E1                   4
CCYCCO-T1               H   5O   1C   3     G     300.0    5000.0  1389.0      1
   1.03394781E1  1.15180335E-2 -3.87496644E-6 5.95744364E-10-3.43539552E-14    2
    7.1765897E3  -2.89687593E1  -1.39311392E0  3.81789194E-2 -2.62316288E-5    3
  8.74877238E-9-1.11296763E-12   1.12534953E4   3.41877003E1                   4
IC4H7O                  H   7O   1C   4     G     300.0    5000.0  1386.0      1
   1.33457615E1  1.61218588E-2 -5.44376403E-6 8.38199374E-10 -4.8360828E-14    2
   6.11443644E2  -4.36818838E1   1.74700687E0  4.07783436E-2 -2.44750243E-5    3
  7.06502958E-9-7.51570589E-13   4.86979233E3   1.94535999E1                   4
IC4H7-I1OO              H   7O   2C   4     G     100.0    5000.0 1100.23      1
   9.07244672E0   2.6498449E-2 -1.09301959E-5  2.00162078E-9-1.37298941E-13    2
   2.61873238E3  -1.56049688E1   1.56915814E0  5.37773699E-2 -4.81208649E-5    3
  2.45366578E-8-5.25781615E-12   4.26980472E3   2.13107866E1                   4
IC4H7O-1                H   7O   1C   4     G     100.0    5000.0 1809.65      1
   6.40845942E0  2.49381769E-2 -8.78182138E-6  1.14304231E-9-5.46860977E-14    2
   3.12870222E3  -1.34988508E0  8.20769813E-1  5.08043783E-2 -4.14247231E-5    3
  1.72955367E-8-2.85626122E-12    2.9380253E3   2.28072197E1                   4
IC4H7CO                 H   7O   1C   5     G     300.0    5000.0  1372.0      1
   1.81541506E1  1.55421664E-2 -5.55190518E-6 8.87389891E-10-5.25397699E-14    2
  -2.79313191E3   -7.0099169E1  -6.0280512E-1  5.53889357E-2 -3.61990198E-5    3
  1.08474598E-8-1.16630773E-12   4.08121058E3   3.19888242E1                   4
IC4H7CHO-A              H   7O   1C   5     G     300.0    5000.0  1382.0      1
   1.89927555E1  1.52188529E-2 -5.43214729E-6 8.67813802E-10  -5.136341E-14    2
  -3.83952415E3  -7.65641406E1  -2.37441388E0  6.55704288E-2 -5.07845332E-5    3
  1.94836931E-8-2.99456851E-12    3.4995334E3   3.79770201E1                   4
IC4YAA                  H   4O   2C   4     G     100.0    5000.0 2209.56      1
   1.41981726E1  1.65996832E-2 -9.87583982E-6  1.98570617E-9-1.37820223E-13    2
  -3.00593106E4   -4.9618705E1   2.85658537E0  3.71315035E-2 -2.38142211E-5    3
  6.19117782E-9-6.13646416E-13  -2.50473205E4   1.40894478E1                   4
IC4YAA-R                H   3O   2C   4     G     100.0    5000.0  746.96      1
   6.17912551E0  2.59813934E-2 -1.52670682E-5  3.16692137E-9-2.29097063E-13    2
  -6.16009203E3  -9.8749284E-1   1.56757905E0  6.06070014E-2 -1.04742394E-4    3
  1.00823056E-7-3.88707836E-11  -5.74819892E3   1.80607356E1                   4
OVCC(VC)COOH            H   6O   3C   4     G     298.0    5000.0 1188.27      1
   1.22538709E1   2.0599748E-2 -7.93045667E-6    1.421027E-9-9.66114709E-14    2
  -2.74824945E4  -2.86733076E1   1.19810105E0   5.8830037E-2 -5.73499724E-5    3
  2.96922175E-8-6.12883484E-12  -2.49294986E4   2.62615568E1                   4
OVCC(VC)COJ             H   5O   2C   4     G     298.0    5000.0 1359.89      1
   1.16375363E1  1.94453981E-2  -8.5137049E-6  1.67007193E-9-1.21180238E-13    2
   -9.8251088E3   -3.1097864E1   5.66255554E0  3.09901345E-2 -1.39408583E-5    3
 5.56576321E-10 7.88818668E-13  -7.71956584E3   1.48661471E0                   4
CVC(COOJ)COOH           H   7O   4C   4     G     300.0    5000.0  1396.0      1
   2.05693525E1  1.61361787E-2 -5.41230237E-6 8.30438953E-10-4.78223583E-14    2
  -1.06790137E4   -7.2115997E1  3.33941884E-1  6.80588785E-2 -5.67396297E-5    3
  2.39522852E-8 -4.0303399E-12   -4.2087193E3    3.4758953E1                   4
IC4QA-AOJ               H   7O   3C   4     G     298.0    5000.0 1354.05      1
   1.47661285E1   2.6008628E-2 -1.15940233E-5  2.30187864E-9-1.68433886E-13    2
  -7.43878376E3  -4.55257815E1    3.6274307E0   4.9024945E-2  -2.5005205E-5    3
  2.60292421E-9 9.66410957E-13  -3.64403586E3   1.47200572E1                   4
C4H5-2C2H               H   6C   6          G     300.0    5000.0  1392.0      1
   1.51418894E1  1.53451745E-2 -5.33604163E-6 8.37648226E-10-4.89739255E-14    2
   3.25198482E4  -5.51785698E1 -5.37624545E-1  5.68526169E-2 -5.05423991E-5    3
  2.47779427E-8-5.12990122E-12   3.76156523E4   2.75815403E1                   4
CHCCH2CH2CHCH2          H   8C   6          G     300.0    5000.0  1393.0      1
   1.58986683E1   1.9429684E-2 -6.66342364E-6  1.03635152E-9-6.02003473E-14    2
   2.21782846E4  -5.68810732E1  6.87646296E-1  5.47687715E-2 -3.83961688E-5    3
  1.41935352E-8-2.18610547E-12   2.75168752E4   2.49416913E1                   4
CH2CCHCH2CHCH2          H   8C   6          G     300.0    5000.0  1379.0      1
   1.58520129E1   1.9706639E-2 -6.90722981E-6  1.08998926E-9-6.39582431E-14    2
   2.22042203E4  -5.71482464E1  4.75032479E-1  5.61981818E-2 -4.40031144E-5    3
  2.07777749E-8-4.49682996E-12   2.77606909E4   2.57614601E1                   4
IC4H8                   H   8C   4          G     200.0    3000.0  1000.0      1
   2.59951995E0  3.30500495E-2 -1.59845905E-5  3.76087525E-9-3.49019653E-13    2
  -4.42749559E3   1.08165064E1   4.25619782E0  1.13628096E-2  4.71398093E-5    3
 -6.57197372E-8 2.60377549E-11  -4.18922195E3   6.06113167E0                   4
IC4H7                   H   7C   4          G     200.0    3000.0  1000.0      1
   4.11695304E0  2.85129941E-2 -1.37562429E-5  3.23914002E-9-3.01700354E-13    2
   1.34747999E4   3.05916151E0   1.35060422E0  2.48568416E-2  2.24583683E-5    3
 -4.92084539E-8 2.23537835E-11   1.45784895E4   1.95359293E1                   4
IC4H7-I1                H   7C   4          G     200.0    3000.0  1000.0      1
   3.81747346E0  2.82045353E-2 -1.34816969E-5  3.12734123E-9-2.85487392E-13    2
   2.56581098E4   6.72673594E0   4.20074138E0  1.54728513E-2  2.81446899E-5    3
 -4.47674478E-8 1.83313309E-11   2.60155552E4   7.30843069E0                   4
SC3H5CHO                H   6O   1C   4     G     300.0    5000.0  1396.0      1
   1.33892118E1   1.3911542E-2 -4.75820958E-6 7.38736618E-10-4.28606559E-14    2
  -1.97917448E4  -4.60146004E1   1.09372823E0  4.43315368E-2 -3.41918451E-5    3
  1.39369607E-8 -2.3379146E-12  -1.56745978E4   1.94458467E1                   4
SC3H5CO                 H   5O   1C   4     G     300.0    5000.0  1396.0      1
   1.29925654E1  1.22140721E-2 -4.19305277E-6 6.52697685E-10-3.79407376E-14    2
   -2.7478238E3   -4.5109247E1  7.76401404E-1  4.26828436E-2 -3.37881191E-5    3
  1.39128174E-8-2.33331638E-12   1.29903132E3   1.98102013E1                   4
AC3H5OCH2               H   7O   1C   4     G     300.0    5000.0  1397.0      1
   1.19880368E1  1.70263516E-2 -5.78617265E-6 8.94150465E-10-5.16994613E-14    2
   3.48367473E3   -3.3586063E1   1.20089076E0  4.24760987E-2 -2.94114641E-5    3
   1.1182486E-8 -1.8130953E-12   7.26792055E3   2.43628654E1                   4
C4H7O1-4                H   7O   1C   4     G     300.0    5000.0  1388.0      1
   1.33251126E1  1.65057558E-2  -5.6523589E-6 8.78319847E-10 -5.0991458E-14    2
   1.91281414E3  -4.28181479E1    2.4489543E0  3.69423519E-2 -1.77510852E-5    3
   2.6453753E-9 2.43666218E-13   6.16385921E3   1.73174889E1                   4
C4H7O2-1                H   7O   1C   4     G     300.0    5000.0  1684.0      1
    1.1268569E1   2.0172482E-2 -7.41925667E-6  1.21275519E-9-7.30115348E-14    2
   2.13876442E3  -3.15208064E1   5.16434924E0  2.53427725E-2 -1.39669041E-6    3
 -6.00713944E-9 1.76696879E-12   5.03210693E3   4.37441148E0                   4
SC3H5OCH2-1             H   7O   1C   4     G     300.0    5000.0  1382.0      1
   1.47022035E1  1.55342107E-2 -5.45701052E-6 8.62544885E-10-5.06734446E-14    2
     1.812948E3  -5.05120353E1  2.35694446E-1  4.67367652E-2 -3.04880689E-5    3
  9.75216148E-9-1.23281228E-12   7.11668364E3   2.81378517E1                   4
C4H71-1O2               H   7O   2C   4     G     300.0    5000.0  1390.0      1
   1.63738534E1  1.62685376E-2 -5.62192103E-6  8.7898252E-10-5.12510706E-14    2
  -1.06318473E3  -5.69005716E1   2.02223104E0  4.85577506E-2 -3.30293697E-5    3
  1.13406677E-8-1.57078109E-12   4.04143594E3   2.06106646E1                   4
C4H71-2O2               H   7O   2C   4     G     300.0    5000.0  1394.0      1
   1.63565639E1  1.61768136E-2 -5.56610316E-6 8.67700997E-10-5.04886444E-14    2
  -3.40245466E3  -5.75260769E1   1.42459973E0  5.20547601E-2 -3.89440869E-5    3
  1.51726193E-8-2.42611664E-12   1.68854104E3   2.23230947E1                   4
C4H71-3O2               H   7O   2C   4     G     200.0    3000.0  1000.0      1
   7.49930199E0  2.96168943E-2 -1.37612228E-5  3.07120467E-9-2.67351048E-13    2
   2.33126907E3  -7.00385154E0   6.97088616E0  7.93432309E-3  6.52868882E-5    3
 -9.04825562E-8 3.64492858E-11   3.39671301E3  8.10259145E-1                   4
C4H72-1O2               H   7O   2C   4     G     300.0    5000.0  1391.0      1
   1.49133658E1  1.68566945E-2 -5.68505081E-6 8.74627174E-10-5.04330107E-14    2
   4.66363025E1  -4.75165847E1   1.29712744E0  4.82156354E-2 -3.30645624E-5    3
  1.16680269E-8-1.67383807E-12   4.80097907E3   2.57387128E1                   4
C4H71-4O2               H   7O   2C   4     G     300.0    5000.0  1390.0      1
   1.50240251E1  1.72860962E-2 -5.94297061E-6  9.2586143E-10-5.38461748E-14    2
   1.92460667E2  -4.85941022E1   2.09042625E0   4.5713008E-2  -2.9481583E-5    3
  9.69604853E-9-1.30061388E-12   4.88932667E3   2.15456077E1                   4
C4H72OO1-3              H   7O   2C   4     G     300.0    5000.0  1421.0      1
   1.75191377E1  1.48932834E-2   -4.882541E-6 7.36884149E-10-4.19250867E-14    2
  -5.40121829E3  -7.12526209E1  -9.84713332E0  9.65294066E-2 -9.76557621E-5    3
  4.78425967E-8-8.98643297E-12   2.14570156E3   6.91264458E1                   4
C4H71OO2-3              H   7O   2C   4     G     300.0    5000.0  1425.0      1
   1.90464747E1  1.33395731E-2 -4.38619559E-6 6.63714136E-10 -3.7844349E-14    2
    3.7158854E3  -7.78860602E1  -6.05373523E0  8.56396716E-2 -8.37418673E-5    3
  3.96851771E-8-7.24057523E-12   1.08576151E4   5.17199728E1                   4
C4H7O2-3O-1             H   7O   2C   4     G     300.0    5000.0  1328.0      1
   1.18340469E1  2.13058862E-2 -8.41424444E-6  1.39720588E-9-7.87940325E-14    2
   -1.2157502E4  -3.31277006E1   -2.1052433E0  6.53309833E-2 -5.66161939E-5    3
  2.37692357E-8-3.90922691E-12   -9.0681124E3   3.66674717E1                   4
C4H7O1-2O-3             H   7O   2C   4     G     300.0    5000.0  1328.0      1
   1.18340469E1  2.13058862E-2 -8.41424444E-6  1.39720588E-9-7.87940325E-14    2
   -1.2157502E4  -3.45066638E1   -2.1052433E0  6.53309833E-2 -5.66161939E-5    3
  2.37692357E-8-3.90922691E-12   -9.0681124E3   3.52885084E1                   4
C4H72OO1-4              H   7O   2C   4     G     300.0    5000.0  1422.0      1
   1.69374277E1  1.61394291E-2 -5.38202799E-6 8.21897687E-10-4.71542872E-14    2
  -2.82922838E3  -6.99111468E1  -9.79609728E0  9.19393817E-2  -8.7611809E-5    3
  4.09338131E-8-7.41272496E-12   4.92600768E3   6.86028015E1                   4
C4H71OO2-4              H   7O   2C   4     G     300.0    5000.0  1424.0      1
    1.8225643E1  1.41741767E-2 -4.61506918E-6 6.93628644E-10-3.93610811E-14    2
  -3.07301596E3   -7.4787453E1  -6.64386989E0  8.56333077E-2 -8.28845202E-5    3
  3.91182545E-8-7.12333661E-12   4.02180107E3   5.36920577E1                   4
C4H7O1-2O-4             H   7O   2C   4     G     300.0    5000.0  1673.0      1
   1.48654175E1  1.84983686E-2 -6.57303691E-6  1.05177235E-9-6.24441918E-14    2
  -1.22303998E4  -5.11975904E1  -1.16668372E0  5.61736585E-2  -3.8333859E-5    3
  1.24754702E-8-1.54252932E-12  -7.05306774E3   3.42838867E1                   4
C4H61OOH4-3O2           H   7O   4C   4     G     300.0    5000.0  1395.0      1
   1.92129866E1  1.80533797E-2 -6.22644844E-6 9.72185617E-10-5.66311792E-14    2
   -1.1722834E4  -6.38124953E1   2.96908603E0  5.52680431E-2 -3.85071732E-5    3
  1.35964918E-8-1.93740519E-12  -6.02696693E3   2.36558653E1                   4
C4H61KET43              H   6O   3C   4     G     300.0    5000.0  1687.0      1
   1.93400193E1  1.52280645E-2 -5.76749959E-6 9.61281722E-10-5.86603392E-14    2
  -2.60569184E4  -7.24582398E1  1.97344949E-1   5.9835325E-2 -4.31206916E-5    3
   1.4339493E-8-1.79143988E-12  -1.98132694E4   2.97843447E1                   4
C4H61KET43O             H   5O   2C   4     G     300.0    5000.0  1576.0      1
   1.40297317E1  1.40503932E-2 -4.96021975E-6 7.86557797E-10-4.63116539E-14    2
  -1.05436332E4  -4.31732706E1   8.19196692E0  1.50440855E-2  8.95205463E-6    3
 -1.21031469E-8 3.22361516E-12  -7.20905947E3  -7.25996721E0                   4
C4H61-3OOH4             H   7O   2C   4     G     200.0    3000.0  1000.0      1
   9.22381532E0  2.79078832E-2 -1.32157859E-5  3.04934991E-9-2.77876774E-13    2
    3.6238437E3  -1.64025914E1    1.0423102E1 -4.74450704E-3  9.17063011E-5    3
 -1.16764851E-7 4.60673408E-11   4.46122984E3  -1.61438612E1                   4
C4H61-3,4OOH            H   8O   4C   4     G     300.0    5000.0  1391.0      1
    2.2206495E1   1.7915772E-2 -6.24576339E-6 9.82514765E-10-5.75399144E-14    2
  -2.98532846E4  -8.17637569E1   2.68230066E0  5.99615242E-2 -3.85442662E-5    3
  1.11137886E-8-1.05525309E-12  -2.28387629E4    2.4153901E1                   4
C4H61KET34              H   6O   3C   4     G     300.0    5000.0  1386.0      1
   1.99520776E1  1.30179004E-2 -4.55687713E-6 7.19300638E-10-4.22406337E-14    2
  -2.98289813E4  -7.25227274E1   1.0634969E-1  6.30960714E-2 -5.35634324E-5    3
  2.27532054E-8-3.85949494E-12  -2.33521942E4   3.26736769E1                   4
C4H6O1-3OOH4            H   7O   3C   4     G     300.0    5000.0  1410.0      1
   1.85964502E1  1.60692227E-2 -5.45665975E-6 8.43110956E-10-4.87538931E-14    2
  -1.12344038E4  -6.45766962E1   3.59144477E0  5.24859875E-2 -3.91442008E-5    3
  1.49301208E-8-2.28973597E-12  -6.22159396E3     1.542063E1                   4
C4H8-1                  H   8C   4          G     200.0    3000.0  1000.0      1
   2.67205835E0  3.31975886E-2 -1.62151604E-5  3.86021045E-9-3.62768107E-13    2
  -2.41530492E3   1.19940362E1   4.36790433E0  6.84043075E-3  6.44986048E-5    3
 -8.77815388E-8 3.52265277E-11  -2.04458226E3   7.92974829E0                   4
C4H71-1                 H   7C   4          G     200.0    3000.0  1000.0      1
   4.22666203E0  2.77294238E-2 -1.32193951E-5  3.05575689E-9-2.78037652E-13    2
   2.70313078E4   5.21036873E0   3.95766099E0  1.31569933E-2  4.12154274E-5    3
 -6.31213175E-8 2.63056457E-11   2.76691152E4   9.83668527E0                   4
C4H71-2                 H   7C   4          G     200.0    3000.0  1000.0      1
    3.6313497E0  2.88554185E-2 -1.40806421E-5  3.35021613E-9-3.14995736E-13    2
   2.54970453E4   8.65004051E0   5.50662391E0  2.32021109E-3  6.59188745E-5    3
 -8.70483168E-8 3.47439538E-11   2.58107126E4   3.59966127E0                   4
C4H71-3                 H   7C   4          G     200.0    3000.0  1000.0      1
   3.77722957E0  2.90760185E-2 -1.40829363E-5  3.31992553E-9-3.08855186E-13    2
   1.36338509E4   5.79522029E0   4.55418873E0  4.72431475E-3   6.6555518E-5    3
 -9.07166484E-8 3.66640091E-11   1.42678295E4   6.56296176E0                   4
C4H71-4                 H   7C   4          G     200.0    3000.0  1000.0      1
   4.34333501E0  2.71993788E-2 -1.27617861E-5  2.90080389E-9-2.59294983E-13    2
   2.21379901E4   5.67731357E0   5.22887064E0  3.45242637E-3  6.48461016E-5    3
 -8.72394137E-8 3.51344518E-11   2.27129399E4   5.70156135E0                   4
C4H6-1                  H   6C   4          G    298.15    2000.0  1000.0      1
   3.94365744E0  2.61885493E-2 -1.30711417E-5  3.18676492E-9-3.05127218E-13    2
   1.76368506E4   4.59598196E0 -1.29199411E-1  4.22021279E-2 -3.66747365E-5    3
   1.8644646E-8 -4.1001353E-12   1.84653144E4   2.43146241E1                   4
C4H5-3                  H   5C   4          G     100.0    5000.0 1024.96      1
   7.56401606E0  1.54357161E-2 -5.85469236E-6  1.05459843E-9-7.28518041E-14    2
   3.52995766E4  -1.23384188E1   2.65549438E0  2.50205427E-2  -5.8748081E-6    3
 -8.04287765E-9 4.36829518E-12   3.68085307E4   1.39158852E1                   4
C3H4O1-2                H   4O   1C   3     G     300.0    5000.0  1392.0      1
   1.06504553E1  9.79338636E-3 -3.41620321E-6 5.37520677E-10-3.14813318E-14    2
  -3.35826468E2  -3.46444834E1  4.34560074E-1  3.25502219E-2 -2.21414898E-5    3
  7.25174896E-9-9.07264863E-13   3.28581956E3   2.05528232E1                   4
C4H5-4                  H   5C   4          G     300.0    5000.0  1371.0      1
    1.0592986E1  1.17740087E-2 -4.15137757E-6 6.57713838E-10-3.87005456E-14    2
   3.95597102E4   -2.9907862E1   2.58626163E0  2.70305859E-2 -1.46761252E-5    3
  3.82609532E-9-4.04404397E-13   4.27949682E4   1.45030678E1                   4
C2HCOCH3                H   4O   1C   4     G     100.0    5000.0 1466.02      1
   6.56229951E0  1.87842335E-2 -7.96415478E-6  1.46155571E-9-9.95365387E-14    2
    3.6202552E3  -6.29117586E0   2.69770434E0  2.93287316E-2 -1.87531024E-5    3
  6.36780643E-9-9.36201649E-13   4.75336524E3   1.38316515E1                   4
C2H5CCO                 H   5O   1C   4     G     300.0    5000.0  1399.0      1
   1.31499741E1  1.16367084E-2 -3.98760298E-6  6.1980786E-10-3.59872512E-14    2
   8.83180941E3  -4.13793237E1   1.39213635E0  4.32769072E-2  -3.7592416E-5    3
  1.70975109E-8-3.13039612E-12   1.25258987E4   2.03338315E1                   4
CH3C3H2O                H   5O   1C   4     G     300.0    5000.0  1406.0      1
   1.38562774E1  1.11394424E-2 -3.74584095E-6 5.74835092E-10-3.30782994E-14    2
   6.36649331E3  -4.80308094E1  -1.85113708E0  5.91874452E-2 -6.05049446E-5    3
  3.06718051E-8-5.99463684E-12    1.0692911E4   3.23107861E1                   4
C2H5CCHOH               H   7O   1C   4     G     300.0    5000.0  1405.0      1
   1.51051821E1  1.41475761E-2 -4.74333647E-6 7.26290184E-10 -4.1723191E-14    2
   -3.3017857E3  -5.29656729E1  -1.79945438E0  6.58134432E-2 -6.59804128E-5    3
  3.33691902E-8-6.54395456E-12    1.3875493E3   3.35628588E1                   4
C2H5CCHO                H   6O   1C   4     G     300.0    5000.0  1403.0      1
   1.40841355E1  1.31059523E-2 -4.43132758E-6 6.82502623E-10-3.93721277E-14    2
   1.51239987E4  -4.73477254E1   -2.0659464E0  6.17528566E-2 -6.14859288E-5    3
  3.08933126E-8-6.03411694E-12   1.96798663E4   3.55795201E1                   4
C2H5COCH                H   6O   1C   4     G     300.0    5000.0  1399.0      1
   1.45234641E1   1.2939844E-2 -4.41896466E-6 6.85184191E-10-3.97126993E-14    2
   1.91285529E4  -5.04728034E1 -1.58853499E-1  5.66434989E-2 -5.56054301E-5    3
   2.7932526E-8-5.49138196E-12   2.33684999E4   2.51804128E1                   4
C2H4COCH2               H   6O   1C   4     G     300.0    5000.0  1393.0      1
   1.47550395E1  1.31684928E-2 -4.59457176E-6 7.22878363E-10 -4.2330139E-14    2
    5.8131992E3  -5.51797967E1  -1.24620767E0  5.75711786E-2 -5.36076899E-5    3
  2.57246456E-8-4.90902744E-12    1.0754156E4   2.84116823E1                   4
C2H5COCHO               H   6O   2C   4     G     300.0    5000.0  1449.0      1
   1.74195699E1  1.37180486E-2 -4.94704368E-6 7.95692724E-10 -4.7316176E-14    2
  -4.33347051E4  -6.56279074E1   3.54205897E0   3.1884614E-2 -2.82590212E-6    3
 -9.70352116E-9  3.3650288E-12  -3.72369225E4   1.37178649E1                   4
C4H612OOH               H   6O   2C   4     G     300.0    5000.0  1392.0      1
   1.68133627E1  1.33778287E-2 -4.63209483E-6 7.25283261E-10-4.23355798E-14    2
    2.0957865E3  -6.03711374E1   2.32394021E0  4.84141423E-2 -3.72786933E-5    3
   1.4663908E-8-2.33787737E-12   6.98869813E3    1.6991815E1                   4
C4H5O1-4                H   5O   1C   4     G     300.0    5000.0  1374.0      1
   1.29080711E1  1.23955707E-2 -4.37536222E-6 6.93735302E-10-4.08427746E-14    2
   2.19411693E4  -4.05657103E1   2.78409518E0  3.36026592E-2 -2.12772199E-5    3
  6.93093383E-9-9.62555862E-13   2.57927506E4   1.48289436E1                   4
C4H5-4O2H               H   6O   2C   4     G     300.0    5000.0  1391.0      1
   1.58611925E1  1.29399964E-2 -4.30962129E-6 6.57866965E-10-3.77422445E-14    2
   3.55873594E3  -5.39115368E1   2.76262515E0  4.62858649E-2 -3.73178653E-5    3
  1.56823154E-8-2.67032317E-12   7.81158385E3   1.54273072E1                   4
C4H5-4O2                H   5O   2C   4     G     300.0    5000.0  1388.0      1
   1.34186561E1   1.2745526E-2 -4.20871679E-6 6.38462607E-10-3.64602987E-14    2
   2.15648756E4  -3.97266693E1    3.7704089E0  3.72406457E-2 -2.88269764E-5    3
  1.21900351E-8-2.14132355E-12   2.47546947E4   1.14558474E1                   4
C2H5COHCH               H   7O   1C   4     G     300.0    5000.0  1404.0      1
   1.53554858E1  1.39773073E-2 -4.69323575E-6  7.1931159E-10-4.13491191E-14    2
   7.57766683E2  -5.50269884E1  -1.27533509E0  6.54314869E-2 -6.64192365E-5    3
  3.39665001E-8-6.71973686E-12   5.32753673E3   2.99099246E1                   4
C2H5COH                 H   6O   1C   3     G     300.0    5000.0  1408.0      1
   1.13586597E1  1.22614553E-2 -4.01110711E-6 6.03961174E-10-3.42894318E-14    2
   6.44381121E3  -3.09487266E1   2.66381793E0  3.45056506E-2 -2.60758233E-5    3
   1.0623214E-8  -1.777035E-12   9.25123654E3   1.50296953E1                   4
CH3CHCCO                H   4O   1C   4     G     300.0    5000.0  1392.0      1
   1.28985196E1  9.91719131E-3 -3.43775392E-6 5.38584765E-10-3.14471779E-14    2
   1.91698232E3  -4.18183373E1   3.65358607E0  3.12759365E-2 -2.22735527E-5    3
  8.10232741E-9-1.20072835E-12    5.1503214E3   7.91558451E0                   4
C4H6OHOOH1-1-3          H   8O   3C   4     G     100.0    5000.0  946.15      1
   2.24885147E1  1.25670693E-2 -3.11265773E-6 5.29500608E-10-4.13514909E-14    2
  -4.50820531E4  -8.78524704E1  1.85014838E-1  6.81989993E-2 -3.00204425E-5    3
 -2.36959135E-8 1.77703094E-11  -3.91311429E4   2.76589271E1                   4
CH3CHOCHCHOH            H   7O   2C   4     G     100.0    5000.0  925.25      1
    2.0947191E1   6.4393087E-3  3.28787876E-7-1.49540578E-10  5.5801422E-15    2
  -2.56878236E4  -8.13831728E1   1.07385171E0  4.66802661E-2  9.13744516E-6    3
 -5.98487477E-8 3.05517477E-11  -2.00551832E4   2.35153362E1                   4
CH3COCHCHOH             H   6O   2C   4     G     100.0    5000.0  981.76      1
   1.47981962E1  1.47671649E-2 -5.27030415E-6 9.81448434E-10-7.17732302E-14    2
  -4.39683153E4  -4.94469698E1   1.45201869E0   4.5841931E-2 -1.71466074E-5    3
 -1.51293133E-8 1.01868509E-11  -4.02247868E4   2.04141426E1                   4
C4H6OHOOH2-2-4          H   8O   3C   4     G     100.0    5000.0 1213.51      1
   1.55337793E1  2.43523309E-2 -9.82197529E-6  1.79074602E-9-1.22985557E-13    2
  -4.27533906E4   -4.9430431E1  4.29227752E-1  7.41400131E-2 -7.13633581E-5    3
  3.55995707E-8-7.08803437E-12  -3.90874642E4   2.63633753E1                   4
CH3COHCHCH2O            H   7O   2C   4     G     100.0    5000.0 1151.88      1
   8.70067179E0  2.75396111E-2 -1.17775808E-5  2.19664076E-9 -1.5217284E-13    2
   -2.2207912E4  -1.28855533E1   1.68259781E0  5.19103943E-2 -4.35135889E-5    3
  2.05642483E-8-4.13860294E-12  -2.05911117E4   2.19649396E1                   4
CH2COHCHCHO             H   6O   2C   4     G     100.0    5000.0 1421.86      1
   1.44154756E1  1.72245277E-2 -7.58974868E-6  1.44296411E-9-1.00888903E-13    2
  -4.35503742E4   -4.7900523E1   1.29559522E0  5.41332861E-2 -4.65265495E-5    3
  1.96990881E-8-3.31076416E-12  -3.98194168E4   2.00131745E1                   4
C4H72-2O2               H   7O   2C   4     G     300.0    5000.0  1390.0      1
   1.63301022E1  1.60698895E-2 -5.50238293E-6 8.55098973E-10-4.96517196E-14    2
  -4.70039715E3    -5.787364E1    2.4953708E0  4.75680882E-2 -3.26452548E-5    3
  1.14069694E-8-1.61494862E-12   1.76383849E2   1.67027189E1                   4
C4H8-2                  H   8C   4          G     200.0    3000.0  1000.0      1
   2.22705946E0  3.35927737E-2 -1.62945399E-5  3.84272021E-9-3.57393198E-13    2
  -3.57672912E3   1.31065161E1   6.13560736E0 -1.31767265E-3  7.50447067E-5    3
 -9.17853524E-8 3.49333312E-11  -3.62759613E3   -1.5986101E0                   4
C4H72-2                 H   7C   4          G     200.0    3000.0  1000.0      1
   2.95094841E0   2.9440473E-2 -1.41445545E-5  3.28207135E-9 -2.9842949E-13    2
   2.45899929E4   1.19463617E1    7.2287752E0 -7.51433266E-3  8.14405167E-5    3
 -9.63703432E-8 3.64458927E-11   2.44921177E4  -4.41015777E0                   4
SC4H8OH-1O2             H   9O   3C   4     G     300.0    5000.0  1405.0      1
    1.8854709E1  2.02217653E-2 -6.82328766E-6  1.04961552E-9-6.05032676E-14    2
  -3.65721162E4  -6.59105449E1   1.47037864E0  6.38295256E-2 -4.92333916E-5    3
  1.99704964E-8-3.30499356E-12  -3.08602292E4   2.63462505E1                   4
SC4H8OH-3O2             H   9O   3C   4     G     300.0    5000.0  1417.0      1
   1.93082953E1  1.92156764E-2 -6.34250732E-6 9.60912935E-10-5.47939937E-14    2
  -3.84370805E4  -6.88887622E1   1.78918281E0  6.62988026E-2 -5.52280656E-5    3
  2.40247962E-8-4.18762027E-12  -3.30428157E4   2.28885942E1                   4
PQC4H8OS                H   9O   3C   4     G     300.0    5000.0  1403.0      1
   1.99993833E1  1.96391125E-2 -6.70755815E-6  1.04036085E-9 -6.0318796E-14    2
  -2.71257575E4  -7.31284601E1   2.68979886E0  6.10664073E-2 -4.46910607E-5    3
  1.68939056E-8-2.59692346E-12  -2.12460925E4   1.94271757E1                   4
PQC4H7OHS-3             H   9O   3C   4     G     300.0    5000.0  1404.0      1
   1.89703648E1  1.96512375E-2  -6.6152283E-6  1.01590849E-9-5.84889733E-14    2
  -2.92876345E4  -6.40682635E1    3.1405882E0  5.94343278E-2 -4.55414505E-5    3
  1.85507067E-8-3.10109441E-12  -2.40765022E4   1.99412365E1                   4
SQC4H7OHS-4             H   9O   3C   4     G     300.0    5000.0  1414.0      1
   2.06664415E1  1.78772156E-2 -5.93193686E-6 9.02005813E-10 -5.1569199E-14    2
  -3.04132233E4  -7.44595459E1   3.37952725E0  6.50949152E-2 -5.59109752E-5    3
  2.49644089E-8-4.44896795E-12  -2.51501593E4   1.58596901E1                   4
SQC4H8OS                H   9O   3C   4     G     300.0    5000.0  1424.0      1
   2.05363895E1  1.85261859E-2  -6.1825777E-6 9.44045247E-10  -5.413904E-14    2
  -2.90453556E4  -7.66224497E1   3.45579406E0  6.10420456E-2 -4.64106547E-5    3
  1.80687264E-8-2.81124474E-12  -2.34835698E4    1.3999189E1                   4
NC4KET12OH              H   8O   2C   4     G     300.0    5000.0  1384.0      1
   1.68650782E1  1.83319076E-2 -6.41389893E-6  1.01105283E-9-5.92858731E-14    2
  -5.27353126E4  -5.97188408E1   5.2026985E-1  5.40316915E-2 -3.57074151E-5    3
  1.18022134E-8-1.57485744E-12  -4.67781081E4   2.89999061E1                   4
NC4KET23OH              H   8O   2C   4     G     300.0    5000.0  1386.0      1
   1.54636087E1  1.92120108E-2 -6.64681122E-6  1.03988604E-9-6.06552757E-14    2
  -5.57292725E4  -5.19147488E1   1.64761234E0  4.74122084E-2 -2.72508571E-5    3
  7.25755846E-9-6.68682869E-13  -5.04946247E4   2.37800424E1                   4
CH3COCOHCH3             H   7O   2C   4     G     300.0    5000.0  1395.0      1
   1.65624631E1  1.59037217E-2 -5.54554278E-6 8.72274939E-10-5.10735025E-14    2
  -3.65884887E4   -6.1083392E1  -1.65607674E0  6.08409982E-2  -4.8521544E-5    3
  1.97794382E-8-3.26305133E-12  -3.05158227E4   3.58911868E1                   4
CH3COHCO                H   4O   2C   3     G     300.0    5000.0  1410.0      1
   1.50110709E1  7.26697312E-3 -2.42872486E-6 3.71246886E-10-2.13068531E-14    2
  -3.87354954E4   -5.4100554E1  8.25855205E-1  5.22217422E-2 -5.66992291E-5    3
  2.94815948E-8-5.81714952E-12  -3.50157127E4   1.78488731E1                   4
CH2COHCHO               H   4O   2C   3     G     300.0    5000.0  1406.0      1
   1.40200417E1  7.95092924E-3 -2.63244516E-6 3.99896432E-10 -2.2853812E-14    2
  -3.76808145E4   -4.8045799E1  5.76639663E-2  5.16589617E-2 -5.49773816E-5    3
  2.83487148E-8-5.57464421E-12  -3.39594513E4   2.29757289E1                   4
C4H71-3OH               H   8O   1C   4     G     300.0    5000.0  1385.0      1
   1.42401634E1  1.83038695E-2 -6.37213444E-6   1.0009974E-9-5.85511411E-14    2
   -2.6818396E4  -4.83949774E1  7.16707858E-2  5.04772909E-2 -3.50356983E-5    3
  1.30539199E-8-2.07783174E-12  -2.16983717E4   2.82072724E1                   4
C4H72-2OH               H   8O   1C   4     G     300.0    5000.0  1402.0      1
   1.49411596E1  1.66289929E-2 -5.55627511E-6 8.48898851E-10 -4.8694939E-14    2
  -3.12496851E4   -5.5173087E1 -1.84033728E-1  5.90104774E-2 -5.22507028E-5    3
  2.44135801E-8-4.56518659E-12   -2.6671796E4   2.36075268E1                   4
C4H63,1-3OH             H   7O   1C   4     G     300.0    5000.0  1380.0      1
   1.33633351E1  1.70222596E-2  -5.9524519E-6 9.37896168E-10-5.49767305E-14    2
  -9.90113178E3  -4.54753472E1  5.96155469E-1  4.35893351E-2 -2.65985265E-5    3
  8.14250262E-9-1.02316366E-12  -5.05630797E3   2.43923636E1                   4
C4H61-3OH-3O            H   7O   2C   4     G     100.0    5000.0  1572.0      1
   1.79552182E1  1.03138137E-2 -1.48960188E-6 7.48378794E-11 1.48948499E-16    2
     -2.45321E4  -6.35531343E1  2.27726219E-1  6.55096693E-2 -6.37830663E-5    3
  3.05748765E-8-5.49955491E-12  -2.02050136E4   2.60262882E1                   4
CCY(COCC)OH             H   8O   2C   4     G     300.0    5000.0  1328.0      1
   1.03816782E1   2.5305269E-2 -1.00511826E-5   1.6820474E-9-9.58092966E-14    2
  -3.94348914E4  -2.73522595E1  -6.13260697E0  7.75376285E-2 -6.73066149E-5    3
  2.82841623E-8-4.65470382E-12  -3.57825027E4   5.53089299E1                   4
SQC4H7OHS-4O2           H   9O   5C   4     G     300.0    5000.0  1414.0      1
   2.46607662E1   1.9294777E-2 -6.45433722E-6 9.87246207E-10 -5.6688963E-14    2
  -4.98467067E4  -9.10424907E1   2.90986916E0  7.76596028E-2 -6.68513896E-5    3
  2.93627835E-8-5.12008013E-12  -4.31551961E4   2.29130715E1                   4
C4H7O2-1,3OOH           H   9O   5C   4     G     300.0    5000.0  1425.0      1
   2.54691227E1  1.86441036E-2 -6.23825706E-6 9.54422873E-10-5.48154425E-14    2
  -4.01531561E4   -9.6038971E1   4.88339443E0  7.18219147E-2 -5.86792171E-5    3
  2.42823866E-8-3.98538527E-12  -3.36575518E4   1.24696185E1                   4
NC4KET13OH-2            H   8O   4C   4     G     300.0    5000.0  1395.0      1
   2.25434165E1   1.7637703E-2 -6.14926113E-6 9.67201484E-10-5.66321794E-14    2
  -6.59724022E4  -8.48522697E1   2.13332105E0  6.69840817E-2 -5.19672275E-5    3
  2.03864253E-8-3.22074763E-12  -5.90962942E4    2.4096487E1                   4
C4H6OHOOH1-2-3          H   8O   3C   4     G     300.0    5000.0  1403.0      1
   2.32793098E1  1.38280934E-2 -4.61330737E-6 7.05319574E-10-4.05174739E-14    2
  -4.26348237E4  -9.51979841E1  -2.88475927E0  9.16099207E-2 -9.37152074E-5    3
  4.66406895E-8-8.92736049E-12  -3.52899912E4   3.92851633E1                   4
ET12IC4-1OOH            H   8O   3C   4     G     100.0    5000.0 1314.47      1
   1.56469444E1  2.15259318E-2 -5.02933136E-6 5.67225321E-10-2.60505514E-14    2
  -3.13417403E4  -5.24862284E1   2.3633149E-2  7.71610261E-2 -7.77517123E-5    3
  4.21338017E-8-8.82239593E-12  -2.79335986E4    2.4499791E1                   4
SQC4H7OHS-3             H   9O   3C   4     G     300.0    5000.0  1393.0      1
   2.06467109E1  1.91720112E-2 -6.83072275E-6  1.15548224E-9-7.23093312E-14    2
  -3.47563286E4  -7.62958114E1   4.26637136E0  6.00637174E-2 -4.66958173E-5    3
  1.91294366E-8-3.20884256E-12  -2.93228197E4   1.07586574E1                   4
CCY(COC)OHC             H   8O   2C   4     G     300.0    5000.0  1395.0      1
    1.8589185E1  1.81778184E-2  -6.2699746E-6  9.7874828E-10-5.69946149E-14    2
  -4.82187066E4  -7.76227659E1  -4.92114422E0   9.1544304E-2 -9.60919177E-5    3
  5.05467788E-8-1.02505979E-11  -4.16866566E4   4.24555544E1                   4
SC4H8OH-1               H   9O   1C   4     G     300.0    5000.0  1405.0      1
   1.50517242E1  1.84748629E-2 -6.15327969E-6 9.38017339E-10-5.37214281E-14    2
  -1.71974443E4  -5.03733848E1   1.78282749E0  5.18872497E-2 -3.89600849E-5    3
  1.57818686E-8-2.64133852E-12  -1.28305019E4   2.00308244E1                   4
SC4H8OH-2               H   9O   1C   4     G     300.0    5000.0  1395.0      1
   1.45514712E1  1.92722299E-2 -6.50955109E-6  1.00200009E-9-5.77830714E-14    2
  -2.09909632E4  -4.82454428E1   1.96361387E0  4.77673982E-2 -3.11652479E-5    3
  1.07498897E-8-1.54834306E-12   -1.6500033E4   1.97286755E1                   4
SC4H8OH-3               H   9O   1C   4     G     300.0    5000.0  1403.0      1
    1.4245378E1     1.89491E-2 -6.27403528E-6 9.52692609E-10-5.44157896E-14    2
  -1.81803642E4  -4.56206494E1   1.93185505E0  4.79506224E-2 -3.23719194E-5    3
  1.16232751E-8-1.72498918E-12   -1.3943137E4   2.03995003E1                   4
PC4H8OH-1O2             H   9O   3C   4     G     298.0    5000.0 1328.71      1
   1.63470261E1  2.56236689E-2 -1.02307859E-5  1.88884366E-9-1.31517676E-13    2
  -3.85477514E4   -5.3960167E1  9.10010285E-1  6.93023153E-2 -5.57401717E-5    3
  2.25768634E-8-3.59128118E-12  -3.42627022E4   2.57180548E1                   4
PC4H8OH-3O2             H   9O   3C   4     G     298.0    5000.0 1404.43      1
   1.34407879E1  2.91211589E-2 -1.17890362E-5  2.19190467E-9-1.53150659E-13    2
  -3.40433955E4  -3.59101291E1   1.39329312E0  6.60646043E-2 -5.45913313E-5    3
  2.44553627E-8-4.54477677E-12  -3.08896299E4   2.54441633E1                   4
PC4H8OH-4O2             H   9O   3C   4     G     298.0    5000.0 1392.27      1
   1.22282914E1  3.13480694E-2 -1.29932592E-5  2.45566134E-9-1.73585244E-13    2
  -3.18049001E4  -2.85786783E1     1.216536E0  6.27348086E-2 -4.66821825E-5    3
  1.87209033E-8-3.17575631E-12  -2.87251783E4   2.82726981E1                   4
C4H7OH-1OOH-2           H   9O   3C   4     G     298.0    5000.0 1293.06      1
   1.64544759E1  2.42696491E-2 -9.38088373E-6  1.69655284E-9-1.16563306E-13    2
  -3.21671984E4  -5.19842666E1   1.63599078E0   6.3198309E-2 -4.56037773E-5    3
  1.54315508E-8-1.77948744E-12  -2.78429264E4   2.53958984E1                   4
C4H7OH-1OOH-3           H   9O   3C   4     G     298.0    5000.0 1293.06      1
   1.64544759E1  2.42696491E-2 -9.38088373E-6  1.69655284E-9-1.16563306E-13    2
  -3.21671984E4  -5.19842666E1   1.63599078E0   6.3198309E-2 -4.56037773E-5    3
  1.54315508E-8-1.77948744E-12  -2.78429264E4   2.53958984E1                   4
C4H7OH-3OOH-1           H   9O   3C   4     G     298.0    5000.0 1098.81      1
   1.38083726E1   2.8451838E-2 -1.12860094E-5  2.06752389E-9-1.42894737E-13    2
  -2.90879383E4  -3.70961582E1   1.82020902E0  6.71623913E-2 -5.84512858E-5    3
  2.77637145E-8-5.41912614E-12  -2.61011455E4   2.33418094E1                   4
C4H7OH-3OOH-2           H   9O   3C   4     G     298.0    5000.0 1360.03      1
    1.3035803E1  2.83851484E-2 -1.10467223E-5    1.997276E-9-1.36775878E-13    2
  -2.74265571E4  -3.09609116E1   1.92346904E0  6.12641543E-2 -4.72926127E-5    3
  1.96829435E-8-3.36687421E-12  -2.44487332E4   2.59553814E1                   4
C4H7OH-3OOH-4           H   9O   3C   4     G     298.0    5000.0 1089.88      1
   1.37676573E1  2.80934145E-2 -1.10355898E-5  2.00800857E-9-1.38120273E-13    2
  -2.60683039E4  -3.55219732E1  7.02813055E-1  7.02863665E-2 -6.23185885E-5    3
  2.98132158E-8-5.80883582E-12  -2.28220001E4   3.03253388E1                   4
C4H7OH-4OOH-1           H   9O   3C   4     G     298.0    5000.0 1405.66      1
     1.251347E1  3.08198445E-2 -1.25603791E-5  2.34558741E-9 -1.6437514E-13    2
  -2.68154051E4  -2.93044586E1   1.63839866E0  6.38894088E-2 -5.07120646E-5    3
  2.22037331E-8-4.10399094E-12  -2.39365304E4   2.61883144E1                   4
C4H7OH-4OOH-2           H   9O   3C   4     G     298.0    5000.0 1363.88      1
   1.16062776E1  3.09734392E-2 -1.24255187E-5  2.29574493E-9-1.59693013E-13    2
    -2.510245E4   -2.2416168E1   1.71369795E0  5.81887434E-2 -4.00074483E-5    3
  1.45225361E-8 -2.1649747E-12  -2.22812877E4   2.89191643E1                   4
C4H7OH-4OOH-3           H   9O   3C   4     G     298.0    5000.0 1363.88      1
   1.16062776E1  3.09734392E-2 -1.24255187E-5  2.29574493E-9-1.59693013E-13    2
    -2.510245E4   -2.2416168E1   1.71369795E0  5.81887434E-2 -4.00074483E-5    3
  1.45225361E-8 -2.1649747E-12  -2.22812877E4   2.89191643E1                   4
C4H7OHCYO1-3            H   8O   2C   4     G     298.0    5000.0 1356.74      1
   1.09032347E1  2.65304036E-2 -1.05803327E-5  1.94998806E-9-1.35535706E-13    2
  -4.31517022E4  -3.16197593E1  -3.44301912E0  6.83167979E-2 -5.58620368E-5    3
  2.36410677E-8-4.02137886E-12  -3.92523704E4   4.20746632E1                   4
C4H7OHCYO1-4            H   8O   2C   4     G     298.0    5000.0 1349.52      1
   9.15489155E0  2.96063663E-2    -1.20807E-5   2.2622905E-9-1.59026348E-13    2
  -5.09391671E4  -2.28622844E1  -5.21416315E0  6.89442841E-2 -5.15527667E-5    3
  1.94488898E-8-2.89418966E-12  -4.68340286E4   5.17466359E1                   4
C4H7OHCYO3-4            H   8O   2C   4     G     298.0    5000.0 1332.85      1
   1.30516212E1  2.13489281E-2 -7.82720363E-6  1.36086355E-9-9.08251513E-14    2
   -3.7808424E4  -4.03412157E1  -5.34568837E0  7.86130064E-2 -7.43385169E-5    3
  3.55611275E-8 -6.6656744E-12  -3.31090908E4   5.29770476E1                   4
NC4KET12OH-1            H   8O   4C   4     G     298.0    5000.0 1397.55      1
   1.62064352E1  2.97163078E-2 -1.30135682E-5  2.55335909E-9-1.85308415E-13    2
  -7.42132722E4  -5.12065495E1 -6.26510443E-1  7.83900034E-2 -6.64140536E-5    3
   2.9105724E-8-5.26289695E-12  -6.95429207E4   3.55143923E1                   4
NC4KET13OH-1            H   8O   4C   4     G     298.0    5000.0 1382.66      1
   1.42370292E1  2.99258009E-2 -1.25768056E-5  2.40010347E-9-1.70840006E-13    2
  -7.49237592E4  -4.08107938E1   2.97226526E0  6.06906562E-2 -4.38280863E-5    3
  1.65026279E-8-2.58005505E-12   -7.1670778E4   1.77638508E1                   4
NC4KET21OH-1            H   8O   4C   4     G     298.0    5000.0 1380.58      1
    1.4667949E1  3.03294163E-2 -1.29874605E-5  2.51013374E-9-1.80267098E-13    2
  -6.25442432E4  -3.84264961E1   2.93543802E0  6.11105312E-2 -4.26822158E-5    3
  1.50721982E-8-2.16788498E-12  -5.90501049E4   2.29925476E1                   4
NC4KET31OH-1            H   8O   4C   4     G     298.0    5000.0 1288.92      1
   1.81880435E1  2.22257833E-2 -8.47085283E-6  1.51851515E-9-1.03754049E-13    2
  -6.94370324E4  -6.07667444E1   2.70906357E0  6.38555752E-2 -4.85866516E-5    3
  1.76393031E-8-2.29689452E-12  -6.49954597E4    1.9758669E1                   4
NC4KET42OH-1            H   8O   4C   4     G     298.0    5000.0 1372.57      1
   1.53208588E1  2.74364065E-2 -1.11621918E-5  2.08426739E-9-1.46144562E-13    2
  -6.13271345E4  -4.33994019E1   2.35151392E0  6.49455258E-2 -5.16312239E-5    3
  2.14622885E-8-3.63466039E-12  -5.77716058E4   2.33262682E1                   4
PC4H8OH-2O2H            H  10O   3C   4     G     298.0    5000.0 1409.81      1
   1.38390517E1  3.11515625E-2 -1.24717265E-5   2.3006592E-9-1.59840893E-13    2
  -5.09890518E4  -3.86442065E1  4.34789428E-1  7.31043807E-2   -6.203068E-5    3
  2.85258016E-8-5.40607719E-12  -4.75504568E4   2.93443626E1                   4
PC4H8OH-4O2H            H  10O   3C   4     G     298.0    5000.0 1397.65      1
   1.25614742E1  3.34888921E-2 -1.37304901E-5  2.57548075E-9-1.81080718E-13    2
   -4.8725358E4   -3.0950136E1   2.5165322E-1   6.9832429E-2 -5.42779959E-5    3
  2.29438518E-8-4.08294774E-12  -4.53855716E4   3.21976943E1                   4
C4H7OH-1OOH-2O2         H   9O   5C   4     G     298.0    5000.0 1321.04      1
   2.24628073E1  2.36225775E-2 -9.07560965E-6  1.63422031E-9-1.11933215E-13    2
  -5.18956283E4  -8.12993741E1   2.11576015E0  8.47676993E-2 -7.74379117E-5    3
  3.53827665E-8-6.32760175E-12  -4.65297635E4   2.25918124E1                   4
C4H7OH-1OOH-3O2         H   9O   5C   4     G     298.0    5000.0 1321.04      1
   2.24628073E1  2.36225775E-2 -9.07560965E-6  1.63422031E-9-1.11933215E-13    2
  -5.18956283E4  -8.12993741E1   2.11576015E0  8.47676993E-2 -7.74379117E-5    3
  3.53827665E-8-6.32760175E-12  -4.65297635E4   2.25918124E1                   4
C4H7OH-2OOH-1O2         H   9O   5C   4     G     298.0    5000.0 1321.04      1
   2.24628073E1  2.36225775E-2 -9.07560965E-6  1.63422031E-9-1.11933215E-13    2
  -5.18956283E4  -8.12993741E1   2.11576015E0  8.47676993E-2 -7.74379117E-5    3
  3.53827665E-8-6.32760175E-12  -4.65297635E4   2.25918124E1                   4
C4H7OH-3OOH-1O2         H   9O   5C   4     G     298.0    5000.0 1321.04      1
   2.24628073E1  2.36225775E-2 -9.07560965E-6  1.63422031E-9-1.11933215E-13    2
  -5.18956283E4  -8.12993741E1   2.11576015E0  8.47676993E-2 -7.74379117E-5    3
  3.53827665E-8-6.32760175E-12  -4.65297635E4   2.25918124E1                   4
C4H7OH-4OOH-2O2         H   9O   5C   4     G     298.0    5000.0 1410.99      1
   1.77867189E1  3.02502987E-2 -1.22557475E-5  2.28061429E-9-1.59473512E-13    2
  -4.49284565E4  -5.27894293E1   2.31050883E0  7.89883716E-2 -7.01981358E-5    3
  3.31333704E-8-6.36713869E-12  -4.09808416E4   2.56158399E1                   4
PC4H8OH-1O              H   9O   2C   4     G     298.0    5000.0 1351.91      1
   1.12609236E1  3.11121706E-2 -1.32706153E-5   2.5576877E-9 -1.8330668E-13    2
  -3.54408291E4  -2.76803852E1   5.50544977E0  3.89496394E-2 -1.07638851E-5    3
 -4.52753558E-9 2.23706482E-12  -3.31558676E4   4.74037149E0                   4
PC4H8OH-2O              H   9O   2C   4     G     298.0    5000.0 1348.98      1
    1.2459407E1  2.68344266E-2 -1.06508384E-5  1.95452007E-9-1.35355069E-13    2
  -3.26416829E4  -3.39606452E1   1.09135178E0  5.91358187E-2 -4.45932588E-5    3
  1.76115715E-8 -2.8151918E-12  -2.94903775E4   2.46863894E1                   4
PC4H8OH-3O              H   9O   2C   4     G     298.0    5000.0 1348.98      1
    1.2459407E1  2.68344266E-2 -1.06508384E-5  1.95452007E-9-1.35355069E-13    2
  -3.26416829E4  -3.39606452E1   1.09135178E0  5.91358187E-2 -4.45932588E-5    3
  1.76115715E-8 -2.8151918E-12  -2.94903775E4   2.46863894E1                   4
PC4H8OH-4O              H   9O   2C   4     G     298.0    5000.0 1354.91      1
   1.12789466E1  2.91402963E-2 -1.19058248E-5  2.22893808E-9-1.56547827E-13    2
  -3.03608387E4  -2.62129286E1   1.40290995E0  5.48457599E-2 -3.59904697E-5    3
  1.17500649E-8-1.46822989E-12  -2.74296709E4   2.54975908E1                   4
PC4H8OH-2O2             H   9O   3C   4     G     300.0    5000.0  1407.0      1
   1.90513685E1  2.00624257E-2 -6.76970282E-6  1.04136985E-9-6.00271674E-14    2
  -3.65966815E4  -6.71202048E1     1.977809E0  6.25692373E-2  -4.7673021E-5    3
  1.90561997E-8-3.10596799E-12  -3.09625439E4   2.35880251E1                   4
SQC4H8OP                H   9O   3C   4     G     300.0    5000.0  1421.0      1
   2.02482113E1  1.90403096E-2 -6.41818812E-6 9.86791658E-10-5.68666168E-14    2
  -2.70686177E4  -7.43734665E1   3.92966105E0  5.67740736E-2 -3.88077818E-5    3
  1.31554059E-8-1.72822772E-12  -2.14649445E4   1.32313419E1                   4
SQC4H7OHP-4             H   9O   3C   4     G     300.0    5000.0  1410.0      1
   1.99207495E1  1.89422879E-2 -6.39488327E-6 9.84231371E-10-5.67606301E-14    2
  -2.89250584E4  -7.01061222E1   1.44518283E0  6.52944119E-2  -5.1038013E-5    3
   2.0523891E-8-3.32050656E-12   -2.2905989E4   2.78546218E1                   4
SQC4H7OHP-1             H   9O   3C   4     G     300.0    5000.0  1405.0      1
    1.9544465E1  1.92958888E-2 -6.52157752E-6  1.00427876E-9-5.79320306E-14    2
  -3.16981728E4  -6.90384887E1   2.74422361E0  6.19167385E-2 -4.85718275E-5    3
   2.0066351E-8-3.37930572E-12  -2.62188841E4   1.99607477E1                   4
SQC4H7OHP-3             H   9O   3C   4     G     300.0    5000.0  1392.0      1
   2.07595185E1  1.88069226E-2 -6.47841669E-6  1.01104138E-9 -5.8885562E-14    2
  -3.09295712E4  -7.57363142E1    3.3402347E0  5.44619807E-2 -3.12715402E-5    3
  7.17274939E-9-2.69672003E-13  -2.44980548E4    1.9399654E1                   4
PQC4H7OHS-2             H   9O   3C   4     G     300.0    5000.0  1402.0      1
   1.95398919E1  1.94356555E-2 -6.59988244E-6  1.01963939E-9-5.89535445E-14    2
  -3.18016164E4  -6.90612879E1   2.02224208E0   6.3950271E-2 -5.07314681E-5    3
   2.1178851E-8 -3.6050872E-12  -2.60820538E4   2.37357937E1                   4
PQC4H7OHS-4             H   9O   3C   4     G     300.0    5000.0  1406.0      1
   1.92506324E1  1.95222852E-2 -6.59556833E-6  1.01548124E-9 -5.8572797E-14    2
  -2.86816224E4  -6.61047459E1   1.05580624E0  6.63031409E-2 -5.33304532E-5    3
  2.24236182E-8-3.81872426E-12  -2.28230293E4   3.00396502E1                   4
CY(CCCO)COH             H   8O   2C   4     G     300.0    5000.0  1396.0      1
   1.34636332E1  2.28745777E-2 -9.93619553E-6  1.89605197E-9-1.26466856E-13    2
  -3.96396606E4  -4.51064489E1  -6.97589766E0  7.98392838E-2 -7.11131714E-5    3
  3.16611877E-8-5.61324136E-12  -3.35777839E4    6.1209334E1                   4
C4H7OH1O1-2             H   8O   2C   4     G     300.0    5000.0  1416.0      1
   1.68298837E1  1.78156219E-2  -6.0228931E-6 9.27989148E-10-5.35623359E-14    2
  -4.47867317E4  -6.24291187E1 -9.92132232E-1  6.10442023E-2 -4.56735658E-5    3
  1.72218666E-8-2.57793481E-12  -3.88660386E4   3.25362317E1                   4
C4H7OH1O2-3             H   8O   2C   4     G     300.0    5000.0  1061.0      1
   1.11336075E1  2.34669206E-2 -7.95359478E-6  1.02492341E-9-3.66263811E-14    2
  -3.87221027E4  -2.90094667E1  -6.45285066E0   8.8109496E-2 -9.54773597E-5    3
  5.45771562E-8-1.30053791E-11  -3.50803469E4   5.69806126E1                   4
C4H7OH2O1-2             H   8O   2C   4     G     300.0    5000.0  1417.0      1
   1.56708992E1  1.86805313E-2 -6.29482402E-6 9.67683006E-10-5.57621212E-14    2
  -4.39642982E4  -5.64811727E1 -5.00079139E-1  5.59210642E-2 -3.80809577E-5    3
  1.28185406E-8-1.66644772E-12  -3.83959339E4   3.03860802E1                   4
C4H7OH2O1-4             H   8O   2C   4     G     300.0    5000.0  1434.0      1
   1.48636951E1  1.90487399E-2 -6.18537084E-6 9.27600884E-10 -5.2546953E-14    2
  -5.03597396E4  -5.38844634E1  -6.90682854E0  7.53882795E-2  -6.1401535E-5    3
  2.51602924E-8 -4.0571583E-12  -4.35547562E4   6.07439403E1                   4
NC4KET21OH              H   8O   2C   4     G     300.0    5000.0  1507.0      1
   1.52252911E1  1.86615017E-2 -6.30658772E-6 9.72355897E-10-5.61770184E-14    2
  -5.34759661E4  -5.00397269E1   5.46677192E0  3.01119974E-2  -2.5954885E-6    3
 -7.61700554E-9 2.55573161E-12  -4.89909104E4   6.33307684E0                   4
C2H5CHOHCO              H   7O   2C   4     G     300.0    5000.0  1389.0      1
   1.82917246E1   1.4800741E-2 -5.24974573E-6 8.35220286E-10-4.92942253E-14    2
  -3.36703722E4  -7.12363783E1  -2.44749259E0  6.46308488E-2 -5.10457937E-5    3
  1.99850773E-8 -3.1221449E-12  -2.66670442E4   3.95566556E1                   4
C2H4COCH2OH             H   7O   2C   4     G     300.0    5000.0  1462.0      1
   1.40828195E1  1.76833414E-2 -6.09759192E-6 9.52794521E-10-5.55571628E-14    2
  -3.37518398E4  -4.08944306E1   7.98874348E0  1.41152447E-2  1.86299924E-5    3
 -1.99223089E-8 5.12983835E-12  -2.98706372E4   -1.8719203E0                   4
C4H71-1OH               H   8O   1C   4     G     300.0    5000.0  1402.0      1
   1.42586569E1  1.71932504E-2 -5.74956414E-6 8.79089774E-10-5.04586493E-14    2
  -2.78051048E4  -4.96581579E1 -4.65981165E-1  5.56573217E-2 -4.50578305E-5    3
  1.93726056E-8-3.38967639E-12  -2.31007894E4   2.79744544E1                   4
C4H71-4OH               H   8O   1C   4     G     300.0    5000.0  1396.0      1
   1.33437331E1  1.82063693E-2 -6.15150719E-6 9.47318576E-10-5.46543216E-14    2
  -2.48479001E4  -4.27998774E1 -2.12276307E-1  4.86358034E-2 -3.17241965E-5    3
  1.04986646E-8-1.39007078E-12  -2.00365173E4   3.04092052E1                   4
C4H72-1OH               H   8O   1C   4     G     300.0    5000.0  1367.0      1
   1.32893235E1  1.93843938E-2 -6.80733358E-6  1.07559847E-9-6.31698641E-14    2
  -2.58627911E4  -4.34782359E1   2.94637661E0  3.45852975E-2 -1.10024787E-5    3
 -1.33281467E-9 9.54964043E-13  -2.12241816E4   1.55037145E1                   4
C4H71-2OH               H   8O   1C   4     G     300.0    5000.0  1404.0      1
   1.50658194E1   1.6527603E-2 -5.52197706E-6 8.43591643E-10-4.83870716E-14    2
  -2.99737946E4  -5.53405024E1  -1.28560619E0   6.3575802E-2 -5.85328191E-5    3
  2.80452715E-8-5.32187122E-12    -2.515386E4   2.93802791E1                   4
C4H63,1-2OH             H   7O   1C   4     G     300.0    5000.0  1394.0      1
   1.61270706E1  1.34064683E-2 -4.52868031E-6 6.98041338E-10-4.03213039E-14    2
  -1.36027321E4  -6.27784082E1  -1.87421935E0  6.37347064E-2  -5.9670466E-5    3
  2.83476648E-8-5.31080139E-12   -8.1717522E3   3.09780367E1                   4
C4H61-2OH-3O2           H   7O   3C   4     G     100.0    5000.0  970.19      1
   1.80813974E1  1.60023637E-2 -5.29467167E-6 9.27095021E-10-6.53319627E-14    2
  -2.59641467E4  -6.19189371E1  5.02233898E-1   6.7375076E-2 -5.20920486E-5    3
   1.0662633E-8 3.20355467E-12  -2.15598711E4   2.74772019E1                   4
C4H61OOH3-2O            H   7O   3C   4     G     100.0    5000.0 1073.56      1
   1.67263968E1  1.96893428E-2  -7.5817438E-6  1.38139619E-9-9.61973096E-14    2
  -2.74468983E4  -5.44299889E1  5.16391298E-1   6.7991399E-2 -5.81706298E-5    3
  2.23018247E-8-2.52403813E-12  -2.32694201E4   2.81707096E1                   4
C4H64,2-1OH             H   7O   1C   4     G     200.0    3000.0  1000.0      1
   6.99484305E0  2.71578662E-2 -1.26449922E-5  2.85998342E-9-2.55974783E-13    2
  -4.31506589E3  -6.80303691E0   2.30683531E0  4.98180321E-2 -5.76168051E-5    3
   4.4601628E-8-1.49979646E-11  -3.45354998E3   1.51779297E1                   4
CC5H9OH-A               H  10O   1C   5     G     300.0    5000.0  1401.0      1
   1.67027481E1  2.23706539E-2 -7.54212173E-6  1.15952204E-9-6.68109144E-14    2
  -2.99326799E4  -5.97485918E1 -6.99028359E-1  6.47245648E-2 -4.74429066E-5    3
  1.84315434E-8-2.95187402E-12  -2.40658443E4   3.30938023E1                   4
CC5H8OHA-B              H   9O   1C   5     G     300.0    5000.0  1399.0      1
   1.57722409E1  2.11268667E-2 -7.13325337E-6   1.0978353E-9-6.33065048E-14    2
  -1.35807398E4  -5.37136913E1 -2.23121688E-1  5.85988455E-2 -4.06829105E-5    3
  1.47632489E-8-2.19930762E-12  -8.04969601E3   3.21303656E1                   4
CC5H8OHA-BO             H   9O   2C   5     G     300.0    5000.0  1384.0      1
   2.30223115E1  1.84065959E-2 -6.48927839E-6  1.02827067E-9-6.05180103E-14    2
  -2.71148159E4  -9.40704417E1   2.49257829E0  6.35033542E-2 -4.29709381E-5    3
  1.38469575E-8-1.69239853E-12  -1.97551334E4   1.71106559E1                   4
C4H64,1-1OH             H   7O   1C   4     G     200.0    3000.0  1000.0      1
   8.10569131E0   2.5607355E-2  -1.1862886E-5  2.70463566E-9 -2.4570985E-13    2
  -8.05048007E2  -1.32630821E1   5.33564512E0  2.68284559E-2  7.94877621E-6    3
 -3.11509692E-8  1.5347178E-11   9.58839619E1   2.13176667E0                   4
CH2CYC3H4OH             H   7O   1C   4     G     200.0    3000.0  1000.0      1
   7.79228593E0  2.58973851E-2  -1.1998772E-5  2.73476484E-9-2.48011419E-13    2
    3.4849113E3  -1.23174861E1   2.88363775E0  3.00054963E-2  1.39997361E-5    3
 -4.40307385E-8 2.13195208E-11    5.0512039E3    1.4679507E1                   4
C4H64,1OH-2O2           H   7O   3C   4     G     300.0    5000.0  1410.0      1
   1.70073756E1  1.71168159E-2 -5.75336586E-6 8.82856098E-10-5.08074013E-14    2
  -1.94748454E4  -5.40055736E1   1.94392661E0  5.37682926E-2 -3.97517994E-5    3
  1.51409061E-8-2.32559491E-12  -1.44537763E4   2.62672284E1                   4
C4H64,OOH2-1O           H   7O   3C   4     G     300.0    5000.0  1403.0      1
   1.83720025E1  1.65585745E-2 -5.69290934E-6 8.87122626E-10-5.16087696E-14    2
  -1.02365756E4  -6.27585795E1   3.55665177E0  4.81101775E-2 -2.94987271E-5    3
  8.10017039E-9-6.99956946E-13  -4.87128324E3    1.7749789E1                   4
C4H54,1OHQ2-1           H   7O   3C   4     G     300.0    5000.0  1396.0      1
    1.8522277E1  1.61109322E-2 -5.56225965E-6   8.692527E-10-5.06719046E-14    2
  -1.52779873E4  -6.24930845E1   2.75799118E0  5.09275384E-2 -3.36514386E-5    3
  1.05577897E-8-1.22428971E-12  -9.67849503E3   2.27564974E1                   4
C4H5OH1O1-2             H   6O   2C   4     G     300.0    5000.0  1428.0      1
   1.58322744E1  1.41005546E-2 -4.76727655E-6 7.34828881E-10 -4.2433981E-14    2
  -2.91399057E4  -5.64012873E1  2.59539371E-3  5.18351431E-2 -3.82497308E-5    3
  1.37917593E-8-1.91812373E-12  -2.38552029E4   2.81156051E1                   4
C4H54,1OHQ2-1O2         H   7O   5C   4     G     300.0    5000.0  1392.0      1
   2.33453679E1  1.75721315E-2  -7.1447468E-6  1.28074882E-9-8.14059209E-14    2
  -3.61216371E4  -8.51280737E1   1.68534679E0  7.71868497E-2 -7.05990064E-5    3
  3.19932894E-8-5.73043129E-12  -2.96004803E4   2.78402145E1                   4
C2H3COCHOHOOH           H   6O   4C   4     G     300.0    5000.0  1377.0      1
   2.17774501E1  1.41229346E-2 -5.05288043E-6 8.08469986E-10-4.79017331E-14    2
  -5.00847789E4  -7.79170812E1   2.56330807E0  5.87622033E-2 -4.47903114E-5    3
  1.70124039E-8-2.61091245E-12  -4.33901674E4   2.53626684E1                   4
C2H3COCHO               H   4O   2C   4     G     100.0    5000.0 1700.65      1
   8.59542249E0  2.16331097E-2 -1.01279617E-5  1.92554932E-9-1.32724123E-13    2
  -2.39755481E4  -1.48764687E1   2.51372913E0   3.5937459E-2 -2.27445799E-5    3
  6.87133506E-9-8.59765122E-13  -2.19069747E4     1.769365E1                   4
C2H3COCHOH              H   5O   2C   4     G     100.0    5000.0 1727.15      1
   1.97181804E1  4.14232145E-4  4.02546052E-6-9.74065681E-10 6.95443647E-14    2
  -2.64682245E4  -7.43917296E1 -6.29620597E-1  6.98864279E-2 -7.57183674E-5    3
   3.7297904E-8 -6.5545753E-12  -2.27727021E4   2.52447146E1                   4
C4H6OH1-3OO2-4          H   7O   3C   4     G     300.0    5000.0  1422.0      1
   1.98228317E1   1.5075447E-2 -4.95684376E-6 7.50286389E-10-4.27969759E-14    2
  -2.45289843E4  -7.93487432E1  -7.48668188E0  9.22599741E-2 -8.81885039E-5    3
  4.10486266E-8-7.38467517E-12  -1.66124021E4   6.21879547E1                   4
C4H6OH1-4OO2-3          H   7O   3C   4     G     300.0    5000.0  1423.0      1
   2.18391186E1  1.32856105E-2 -4.41219543E-6 6.72543701E-10-3.85554618E-14    2
  -1.55788006E4   -8.8816752E1  -6.21423868E0  9.36658031E-2 -9.21945822E-5    3
  4.36487359E-8-7.94266797E-12  -7.55721483E3    5.6184941E1                   4
C4H6OH1O3-4O-2          H   7O   3C   4     G     300.0    5000.0  1367.0      1
   1.83882887E1  1.08512761E-2 -7.08320505E-7-5.76288705E-10 8.23121408E-14    2
  -3.22117752E4  -6.30915228E1  -2.35294948E0  7.31184294E-2 -6.51367841E-5    3
  2.77942817E-8-4.62940471E-12  -2.74458474E4   4.17029593E1                   4
C4H6OH1O2-3O-4          H   7O   3C   4     G     300.0    5000.0  1367.0      1
   1.83882887E1  1.08512761E-2 -7.08320505E-7-5.76288705E-10 8.23121408E-14    2
  -3.22117752E4  -6.30915228E1  -2.35294948E0  7.31184294E-2 -6.51367841E-5    3
  2.77942817E-8-4.62940471E-12  -2.74458474E4   4.17029593E1                   4
C4H63,1-1OH             H   7O   1C   4     G     300.0    5000.0  1401.0      1
   1.38675222E1   1.5479581E-2 -5.17720236E-6 7.91828077E-10-4.54656891E-14    2
  -1.07655481E4  -4.87820652E1 -5.96640682E-1  5.31885124E-2 -4.34791765E-5    3
  1.86514084E-8-3.23780972E-12  -6.15543596E3   2.74734171E1                   4
C4H5OH-13               H   6O   1C   4     G     200.0    3000.0  1000.0      1
   1.02463715E1  1.99358234E-2 -9.15446495E-6  2.08480471E-9-1.90113987E-13    2
   -1.1369834E4  -2.82361154E1   1.58209534E0  3.33282443E-2  1.67112966E-5    3
 -5.84105322E-8 2.97113166E-11  -8.88014077E3    1.7979037E1                   4
CH2OHCHCHCHOH           H   7O   2C   4     G     100.0    5000.0  923.07      1
   2.06219098E1  8.54442204E-3 -9.48848763E-7 6.70533365E-11-6.41132241E-15    2
  -3.73130637E4  -8.10043942E1  6.66872396E-1  5.97705433E-2 -2.69162737E-5    3
 -2.25445286E-8 1.73209514E-11  -3.21274841E4   2.18034429E1                   4
SQC4H7OHP-4O2           H   9O   5C   4     G     300.0    5000.0  1402.0      1
   2.35936348E1  2.08588461E-2 -7.13602285E-6  1.10820581E-9-6.43133049E-14    2
  -4.78452356E4  -8.49505816E1   2.62618431E0  7.26812595E-2 -5.64956508E-5    3
  2.25892409E-8-3.65246549E-12  -4.08999596E4   2.65615323E1                   4
PQC4H7OHS-3O2           H   9O   5C   4     G     300.0    5000.0  1414.0      1
   2.46607662E1   1.9294777E-2 -6.45433722E-6 9.87246207E-10 -5.6688963E-14    2
  -4.98467067E4  -9.10424907E1   2.90986916E0  7.76596028E-2 -6.68513896E-5    3
  2.93627835E-8-5.12008013E-12  -4.31551961E4   2.29130715E1                   4
SQC4H7OHP-3O2           H   9O   5C   4     G     300.0    5000.0  1410.0      1
   2.40084725E1  2.01386711E-2 -6.80801612E-6  1.04885463E-9-6.05317937E-14    2
  -4.98223562E4  -8.79941573E1   2.92763565E0  7.38931629E-2 -5.95503688E-5    3
  2.45920228E-8-4.07125393E-12  -4.30436252E4   2.34692007E1                   4
PQC4H7OHS-4O2           H   9O   5C   4     G     300.0    5000.0  1406.0      1
   2.37597176E1  2.04589819E-2 -6.94055252E-6  1.07167721E-9 -6.1942058E-14    2
   -4.7710891E4  -8.52742247E1   2.63081952E0   7.5395956E-2 -6.23826512E-5    3
  2.66789868E-8-4.58778517E-12  -4.09826634E4   2.61342882E1                   4
C4H6OH1KET2-3           H   8O   4C   4     G     300.0    5000.0  1379.0      1
   2.29503837E1  1.72420788E-2 -6.01097058E-6 9.46132708E-10-5.54479772E-14    2
  -6.60775499E4  -8.52610332E1   2.81352623E0  6.43342267E-2 -4.83293841E-5    3
  1.84070207E-8-2.85317549E-12  -5.90889364E4   2.28741295E1                   4
C4H6OH2KET1-4           H   8O   4C   4     G     300.0    5000.0  1386.0      1
   2.20278679E1   1.8352774E-2 -6.45862629E-6    1.022129E-9-6.01023639E-14    2
  -6.40053438E4  -8.06243531E1   1.67818535E0  6.54110991E-2    -4.79975E-5    3
   1.7729566E-8-2.65097793E-12  -5.68976215E4   2.88263985E1                   4
NC4KET24OH-1            H   8O   4C   4     G     298.0    5000.0 1356.97      1
   1.23415245E1  3.18859323E-2 -1.34032896E-5  2.55782117E-9-1.82051618E-13    2
  -6.14585097E4  -2.62876015E1   5.02923145E0  4.66354766E-2 -2.13860565E-5    3
  2.14240204E-9 7.13005185E-13  -5.89383147E4   1.33782501E1                   4
NC4KET24OH-3            H   8O   4C   4     G     300.0    5000.0  1392.0      1
   2.02237496E1  1.94540798E-2 -6.73928381E-6  1.05529414E-9-6.15931037E-14    2
  -6.68651215E4  -6.99676945E1   2.60979522E0  6.11530456E-2 -4.50409252E-5    3
  1.73313054E-8-2.75573967E-12  -6.07708447E4    2.4489203E1                   4
C4H6OHOOH1-4-3          H   8O   3C   4     G     300.0    5000.0  1409.0      1
   1.79247738E1  1.85441921E-2 -6.26318355E-6 9.64179854E-10-5.56110668E-14    2
  -3.66933215E4  -5.97996625E1   1.19834615E0  5.95917814E-2 -4.48335467E-5    3
   1.7416284E-8-2.73426434E-12  -3.11432319E4   2.92271146E1                   4
C4H6OHOOH2-2-1          H   8O   3C   4     G     300.0    5000.0  1396.0      1
    2.1665646E1  1.59965487E-2 -5.52214578E-6 8.62740322E-10-5.02768063E-14    2
  -4.14875437E4   -8.3937754E1  4.72576793E-2  7.85787048E-2  -7.6800641E-5    3
   3.7920612E-8-7.33203833E-12  -3.51140091E4   2.80064858E1                   4
C4H6OHOOH1-3-4          H   8O   3C   4     G     300.0    5000.0  1391.0      1
   1.93445152E1  1.82185729E-2  -6.3449163E-6 9.97097673E-10-5.83420009E-14    2
  -3.79952136E4  -6.88144861E1  9.44277749E-1  6.34330602E-2 -4.99455695E-5    3
  2.05720571E-8-3.48143957E-12  -3.17827282E4   2.92923796E1                   4
HOCH2COCH2              H   5O   2C   3     G     300.0    5000.0  1366.0      1
   1.23378279E1  1.20062416E-2 -4.05455337E-6 6.24739376E-10-3.60749061E-14    2
  -2.69692876E4  -3.38413471E1   4.96399769E0  2.53655424E-2 -1.15510125E-5    3
  1.55208411E-9 1.79127472E-13  -2.40032494E4   7.16506942E0                   4
HOCH2CHO                H   4O   2C   2     G     300.0    5000.0  1680.0      1
   7.99598542E0  1.20664034E-2 -4.43693399E-6 7.25167046E-10 -4.3653546E-14    2
  -4.09020567E4  -1.33754312E1   4.35084369E0  1.50412895E-2  -5.9508303E-7    3
 -3.75736217E-9 1.09353598E-12  -3.91654526E4   8.09610238E0                   4
HOCH2CO                 H   3O   2C   2     G     300.0    5000.0  1487.0      1
   9.43496508E0   7.6889734E-3  -2.7495928E-6 4.39772312E-10-2.60488233E-14    2
  -2.29700136E4  -2.04618579E1   5.12916864E0  9.07172819E-3  6.49228146E-6    3
 -8.56591893E-9 2.31070825E-12  -2.06151607E4   5.73007596E0                   4
HOCHCHO                 H   3O   2C   2     G     300.0    5000.0  1680.0      1
   9.99251726E0  7.77560619E-3 -2.94238616E-6 4.90136333E-10-2.98979778E-14    2
  -2.20440827E4  -2.73957153E1  5.42856274E-1  2.95295948E-2  -2.0831549E-5    3
  6.72777461E-9-8.06116446E-13  -1.89378452E4   2.31681075E1                   4
CH3COCHOH               H   5O   2C   3     G     300.0    5000.0  1378.0      1
   1.23884831E1  1.23099892E-2   -4.322638E-6 6.83043939E-10-4.01192794E-14    2
  -2.97609476E4  -3.85682589E1   2.11183979E0  3.32521318E-2 -1.96834015E-5    3
   5.4073676E-9-5.32450556E-13  -2.58545486E4   1.77643465E1                   4
HOCH2COCH2O2            H   5O   4C   3     G     300.0    5000.0  1378.0      1
   1.83609652E1  1.21734596E-2 -4.33754085E-6 6.92098897E-10-4.09273345E-14    2
  -4.23794247E4    -6.008591E1     3.531778E0  4.74556334E-2 -3.72940787E-5    3
  1.51257821E-8-2.53051431E-12  -3.72348871E4   1.94315578E1                   4
HOCH2COCH2O             H   5O   3C   3     G     100.0    5000.0 1010.42      1
   9.41818153E0  2.06961156E-2  -9.0018208E-6  1.69313357E-9-1.17964979E-13    2
  -3.50944281E4  -1.46458238E1   1.73479125E0  5.11128434E-2 -5.41565621E-5    3
    3.148596E-8 -7.4893878E-12  -3.35417434E4   2.25017123E1                   4
NC4H9OH                 H  10O   1C   4     G     300.0    5000.0  1393.0      1
   1.51127706E1  2.14133785E-2 -7.35686844E-6  1.14553648E-9-6.65956542E-14    2
  -4.09982953E4  -5.33683579E1 -7.11080317E-1  5.63964322E-2 -3.65352995E-5    3
   1.2105409E-8-1.63707322E-12  -3.52763271E4   3.23654705E1                   4
PC4H8OH-1               H   9O   1C   4     G     300.0    5000.0  1392.0      1
   1.47813217E1  1.89692972E-2 -6.38671427E-6 9.81341181E-10-5.65332084E-14    2
  -1.88487062E4  -4.98892364E1  7.72566991E-1  5.00429367E-2 -3.20163534E-5    3
  1.02913291E-8-1.30709217E-12    -1.384218E4     2.589283E1                   4
PC4H8OH-2               H   9O   1C   4     G     300.0    5000.0  1396.0      1
    1.4719862E1  1.93691825E-2 -6.59356634E-6  1.02018538E-9-5.90410746E-14    2
  -1.53023402E4  -4.85296396E1   1.89476538E0  4.87803114E-2  -3.2670298E-5    3
  1.17119949E-8-1.77100238E-12  -1.07455371E4   2.06226225E1                   4
PC4H8OH-3               H   9O   1C   4     G     300.0    5000.0  1398.0      1
   1.45944628E1  1.92223378E-2 -6.48868808E-6 9.98309067E-10-5.75488987E-14    2
  -1.52392636E4  -4.85127747E1   2.21685429E0  4.71340178E-2 -3.04254756E-5    3
  1.03165429E-8-1.45043599E-12  -1.08208508E4   1.83497891E1                   4
PC4H8OH-4               H   9O   1C   4     G     300.0    5000.0  1401.0      1
   1.41519859E1    1.964397E-2 -6.64537615E-6   1.0240272E-9-5.91001981E-14    2
  -1.56141213E4  -4.50604102E1 -6.95634735E-2  5.20263179E-2 -3.44849029E-5    3
  1.17704221E-8-1.63047436E-12  -1.06053581E4   3.15909567E1                   4
TQJC4H8OH               H   9O   3C   4     G     300.0    5000.0  1415.0      1
   2.29681617E1  1.65162786E-2 -5.50247318E-6 8.39335285E-10-4.81030625E-14    2
   -4.1005146E4  -9.34897892E1 -6.43419503E-1  8.49131517E-2 -8.17210578E-5    3
  3.90979927E-8-7.27092842E-12  -3.42375932E4   2.84394025E1                   4
TQC4H7OHI               H   9O   3C   4     G     300.0    5000.0  1404.0      1
   2.08281225E1  1.81675094E-2 -6.12943202E-6 9.43194119E-10-5.43937008E-14    2
  -3.37386684E4   -7.7482372E1   2.55843807E0  6.37086077E-2 -4.97169945E-5    3
  1.99225109E-8-3.21373436E-12  -2.77526909E4   1.95001368E1                   4
IQJC4H8OH               H   9O   3C   4     G     300.0    5000.0  1410.0      1
   2.11752212E1  1.75144254E-2 -5.73227292E-6 8.63386596E-10-4.90282414E-14    2
  -3.98881576E4  -8.19187015E1   1.81448831E0   7.4745275E-2 -7.10895172E-5    3
  3.44973679E-8-6.54646593E-12  -3.44023586E4   1.77380434E1                   4
TQC4H8OI                H   9O   3C   4     G     300.0    5000.0  1411.0      1
   2.13200701E1  1.80489663E-2 -6.06124072E-6 9.29740751E-10-5.34977374E-14    2
  -3.12966663E4  -8.20046659E1  7.45747835E-2  7.46499596E-2 -6.42255048E-5    3
  2.80908988E-8-4.87692045E-12  -2.47182737E4   2.94511549E1                   4
QC4H7OHP                H   9O   3C   4     G     300.0    5000.0  1416.0      1
   2.43481084E1  1.50316366E-2 -5.01788017E-6 7.66774357E-10 -4.4009322E-14    2
   -3.3192232E4  -9.68211106E1  -1.27864186E0  8.94492926E-2 -8.78565423E-5    3
  4.22110919E-8-7.83450876E-12  -2.58975226E4   3.53963909E1                   4
IQC4H8OT                H   9O   3C   4     G     300.0    5000.0  1405.0      1
   2.04823628E1  1.82966721E-2 -6.04413378E-6 9.16380548E-10-5.22866551E-14    2
  -2.94287153E4  -7.53563247E1   3.72211529E0  6.42864861E-2 -5.52809053E-5    3
   2.5003663E-8-4.53471908E-12  -2.43110525E4   1.21981167E1                   4
IQC4H7OHT               H   9O   3C   4     G     300.0    5000.0  1413.0      1
   2.19945886E1  1.62011186E-2 -5.23758492E-6 7.81898296E-10-4.41125515E-14    2
  -3.07383725E4  -8.16613568E1   3.58900054E0  7.25591129E-2 -7.14080484E-5    3
  3.55250907E-8-6.84991795E-12   -2.5724125E4   1.23766657E1                   4
IC4H7OH                 H   8O   1C   4     G     300.0    5000.0  1398.0      1
   1.23304221E1  1.83885172E-2 -6.06721733E-6 9.19054723E-10-5.24036171E-14    2
  -2.59452023E4  -3.67418286E1    2.0412424E0  4.14387207E-2 -2.55228632E-5    3
  8.28133017E-9-1.10654457E-12  -2.22709637E4   1.88699473E1                   4
IC4H8OH                 H   9O   1C   4     G     300.0    5000.0  1376.0      1
   1.25605997E1  2.10637488E-2 -7.15019648E-6  1.10439262E-9-6.38428695E-14    2
  -1.86203249E4   -3.6788943E1   3.29612707E0  3.47649647E-2 -1.02505618E-5    3
 -2.04641931E-9 1.18879408E-12  -1.45627247E4    1.5860632E1                   4
CCY(CCOC)OH             H   8O   2C   4     G     300.0    5000.0  1404.0      1
   1.43404718E1  1.98311504E-2  -6.6065766E-6   1.0077957E-9-5.77614335E-14    2
  -4.30959414E4  -5.30535015E1  -2.84914896E0  6.23736856E-2 -4.70326536E-5    3
  1.84908286E-8-2.94976027E-12  -3.74257004E4   3.83163588E1                   4
CCY(CCO)COH             H   8O   2C   4     G     300.0    5000.0  1412.0      1
   1.91884885E1  1.56255714E-2   -5.225698E-6 7.99171074E-10-4.58832445E-14    2
  -4.71120302E4  -7.84579023E1  -7.10048774E0  9.53371808E-2 -9.78701612E-5    3
  4.90005646E-8-9.41685766E-12  -3.98987202E4   5.60924667E1                   4
C2CY(COC)OH             H   8O   2C   4     G     300.0    5000.0  1393.0      1
    1.5682997E1  1.92910506E-2 -6.63718495E-6  1.03441014E-9-6.01715267E-14    2
  -4.10598236E4  -5.85686221E1  5.92324183E-1  5.52429007E-2 -4.02419018E-5    3
  1.57152217E-8-2.57388393E-12  -3.58241476E4   2.23378086E1                   4
IC3H6OHCHO              H   8O   2C   4     G     300.0    5000.0  1393.0      1
   1.60254376E1  1.85402212E-2 -6.36973877E-6 9.91732739E-10 -5.7647264E-14    2
  -5.50198923E4  -5.83074874E1   1.84080874E0  5.29601347E-2 -3.94261774E-5    3
   1.5906343E-8-2.69565279E-12  -5.01437169E4   1.75482756E1                   4
CH2COHCH2O              H   5O   2C   3     G     300.0    5000.0  1381.0      1
   1.45684365E1  1.08981466E-2  -3.8384736E-6 6.07726872E-10-3.57429471E-14    2
  -1.80383184E4  -5.03354517E1   4.12822743E0  3.61492278E-2 -2.83466192E-5    3
  1.19441836E-8-2.11109175E-12  -1.44063959E4    5.5864202E0                   4
CH2COHCH2OOH            H   6O   3C   3     G     300.0    5000.0  1417.0      1
   1.53914723E1  1.20773605E-2 -3.73779252E-6 5.40389197E-10-2.97699504E-14    2
  -3.55746086E4  -4.88426511E1 -4.35112929E-1   6.3654209E-2 -6.69140843E-5    3
  3.46184937E-8-6.81745647E-12  -3.16048176E4   3.08627599E1                   4
TQC4H7OHIO2             H   9O   5C   4     G     300.0    5000.0  1402.0      1
   2.82564819E1  1.66969871E-2 -5.67314614E-6 8.78350442E-10-5.09090253E-14    2
  -5.66017464E4  -1.15147927E2   3.17336206E0    7.940059E-2 -6.51165712E-5    3
  2.62035931E-8 -4.1340629E-12  -4.84943162E4   1.77867184E1                   4
TQC4H7OHTO2             H   9O   5C   4     G     300.0    5000.0  1402.0      1
   2.82564819E1  1.66969871E-2 -5.67314614E-6 8.78350442E-10-5.09090253E-14    2
  -5.66017464E4  -1.15147927E2   3.17336206E0    7.940059E-2 -6.51165712E-5    3
  2.62035931E-8 -4.1340629E-12  -4.84943162E4   1.77867184E1                   4
TQC4H7OHIQ-I            H   9O   5C   4     G     300.0    5000.0  1384.0      1
   2.88466964E1  1.66289773E-2 -5.74301906E-6 8.98791324E-10-5.24794891E-14    2
  -4.69249234E4  -1.19117836E2   6.09881562E0  6.93745451E-2 -5.12049498E-5    3
  1.81276221E-8-2.46329781E-12  -3.91393707E4   2.93862639E0                   4
TQC4H7OHIQ-P            H   9O   5C   4     G     300.0    5000.0  1400.0      1
   2.81439191E1  1.63524649E-2 -5.54998081E-6 8.58603978E-10-4.97359401E-14    2
  -4.84502814E4  -1.11572783E2   3.36947511E0  7.96855226E-2 -6.74365765E-5    3
  2.82233283E-8 -4.6527082E-12  -4.05567534E4   1.92726029E1                   4
IQC4H7OHTO2             H   9O   5C   4     G     300.0    5000.0  1389.0      1
   2.41720261E1  2.09397176E-2 -7.29061406E-6  1.14554056E-9-6.70217517E-14    2
  -5.04772118E4  -8.95996685E1   3.83287364E0  6.90926177E-2 -5.15031144E-5    3
  1.99235553E-8-3.17456897E-12  -4.34442789E4   1.94648622E1                   4
IQC4H8OTQ-I             H   9O   5C   4     G     300.0    5000.0  1386.0      1
   2.53249383E1   2.0063482E-2 -7.01249558E-6   1.1047503E-9-6.47561724E-14    2
  -4.09610593E4  -9.73592779E1     5.902198E0  6.26952142E-2 -4.17351838E-5    3
  1.35422162E-8-1.71169663E-12   -3.3962002E4   7.89290087E0                   4
IQC4H7OHTQ-P            H   9O   5C   4     G     300.0    5000.0  1391.0      1
   2.45769593E1  2.01889393E-2 -7.03584537E-6  1.10623327E-9-6.47523225E-14    2
  -4.25783112E4  -9.05052742E1   3.45242802E0  7.14541224E-2  -5.5461679E-5    3
  2.22754676E-8 -3.6606745E-12  -3.54133076E4   2.23024492E1                   4
CH2CQCOHQ               H   6O   5C   3     G     300.0    5000.0  1418.0      1
   3.86574091E1  4.83815026E-4 -2.10413843E-7 3.81490832E-11-2.46187754E-15    2
  -6.56392184E4  -1.61083579E2  -1.61171759E1   1.7886644E-1 -2.16751308E-4    3
  1.15450289E-7-2.27163078E-11  -5.21165145E4   1.14441286E2                   4
IC3H5COHQ               H   8O   3C   4     G     300.0    5000.0  1504.0      1
   2.07387831E1  1.58360934E-2 -5.27614462E-6 8.05932218E-10-4.62682425E-14    2
  -4.41821241E4  -7.94239893E1   2.64360992E0  5.72485066E-2 -3.95907807E-5    3
  1.27775635E-8-1.47241476E-12  -3.80099993E4   1.77322273E1                   4
IC3H5Q                  H   6O   2C   3     G     300.0    5000.0  1397.0      1
   1.43424294E1  1.28053632E-2 -4.40584813E-6 6.86848148E-10-3.99675209E-14    2
  -1.65261025E4  -4.89934539E1   1.32903007E0  4.49170722E-2 -3.51235127E-5    3
  1.41982181E-8-2.33335008E-12  -1.21898396E4   2.02696565E1                   4
COHQCYC(COC)            H   8O   4C   4     G     300.0    5000.0  1319.0      1
   2.44599226E1  1.64187782E-2 -5.74024372E-6 9.05710407E-10-5.31829152E-14    2
  -6.01811228E4  -1.02049722E2   2.40687943E0  5.95180442E-2 -3.16913659E-5    3
  4.23694824E-9 8.42033474E-13  -5.19694864E4   1.88941416E1                   4
QCYC(CCOC)OH            H   8O   4C   4     G     300.0    5000.0  1411.0      1
   2.20860197E1  1.83743733E-2 -6.29478769E-6 9.78787994E-10-5.68621317E-14    2
  -5.89652037E4  -8.64964494E1  -2.09099972E0  8.02656739E-2 -6.69756245E-5    3
  2.79282034E-8-4.60981823E-12  -5.12529252E4    4.1189726E1                   4
HOCOCQ(CH3)2            H   8O   4C   4     G     300.0    5000.0  1380.0      1
   2.28935401E1  1.78627606E-2  -6.3462752E-6  1.01068546E-9-5.96885712E-14    2
   -8.0540068E4  -9.08953779E1   1.56326363E0  6.77165643E-2 -5.14600149E-5    3
  1.99184629E-8-3.16007445E-12  -7.30943302E4   2.37255421E1                   4
CHOC(CH3)OHCH2Q         H   8O   4C   4     G     300.0    5000.0  1383.0      1
   2.24480753E1  1.78753902E-2 -6.26904597E-6 9.90084046E-10-5.81417382E-14    2
  -6.55093075E4  -8.56747327E1    2.4093353E0  6.13326038E-2 -4.03874986E-5    3
  1.22738404E-8 -1.3299748E-12  -5.83049516E4   2.29870742E1                   4
CO(CH2OOH)2             H   6O   5C   3     G     300.0    5000.0  1393.0      1
   2.43376341E1   1.1407411E-2 -4.08931881E-6 6.55183244E-10-3.88570518E-14    2
  -5.16862647E4  -9.01518175E1  -2.47626577E0  8.93736793E-2 -9.25891121E-5    3
   4.6316849E-8-8.93300309E-12  -4.38924057E4   4.84479477E1                   4
IC4H8OH-IT              H   9O   1C   4     G     300.0    5000.0  1391.0      1
   1.29136746E1  2.06583409E-2 -6.98445966E-6  1.07562552E-9-6.20443876E-14    2
  -1.81394866E4  -3.84972088E1   3.05275715E0  3.93926461E-2 -1.90686417E-5    3
  3.86408022E-9-1.48005244E-13  -1.42263749E4   1.60840537E1                   4
IC4H8OH-TI              H   9O   1C   4     G     300.0    5000.0  1402.0      1
   1.46323607E1  1.88895981E-2  -6.3056145E-6  9.6247423E-10-5.51640163E-14    2
  -1.87976018E4  -4.93218793E1   2.33169342E0   5.1301704E-2 -4.02698872E-5    3
  1.75150405E-8-3.16001727E-12  -1.48318978E4    1.5536813E1                   4
CYHEXDN13               H   8C   6          G     300.0    5000.0  1392.0      1
   1.50997866E1  2.12080269E-2 -7.33544206E-6  1.14760359E-9-6.69433814E-14    2
   4.44900608E3  -6.16788333E1  -4.82039387E0  6.70223856E-2 -4.73487895E-5    3
  1.69645503E-8-2.45944445E-12   1.14209741E4   4.55310016E1                   4
CYHEXDN14               H   8C   6          G     300.0    5000.0  1385.0      1
      1.57263E1  2.09982638E-2 -7.33474543E-6  1.15498418E-9-6.76769598E-14    2
   4.37984609E3  -6.64317549E1  -3.02043825E0  6.10388887E-2  -3.8683766E-5    3
  1.17505763E-8-1.35178604E-12   1.12646687E4   3.55809099E1                   4
C6H8                    H   8C   6          G     300.0    5000.0  1397.0      1
   1.69511085E1  1.86092892E-2 -6.39483993E-6 9.95781471E-10-5.78882385E-14    2
   1.19358759E4  -6.63328076E1  -2.80216545E0  7.45728595E-2 -6.92665672E-5    3
  3.34618343E-8-6.42278211E-12   1.79188255E4   3.64469277E1                   4
CYHEXEN-4J              H   9C   6          G     300.0    5000.0  1388.0      1
   1.45726981E1  2.41687737E-2 -8.34933859E-6  1.30512039E-9-7.60857953E-14    2
   1.40406544E4  -5.59995158E1  -3.84381292E0  5.99346158E-2 -3.11377445E-5    3
  5.82015177E-9 8.64222393E-14   2.11060274E4   4.53885355E1                   4
CYPENTN-4MJ             H   9C   6          G      10.0    3000.0  433.34      1
  -2.41048175E0  6.21591818E-2 -3.89684972E-5  1.17648713E-8-1.36838719E-12    2
   2.57204512E4   3.77632099E1   3.94469866E0  3.44171538E-3  1.64472094E-4    3
 -3.01509598E-7 1.79533574E-10   2.51701784E4   1.24235238E1                   4
CYPENTN-4M4J            H   9C   6          G      10.0    3000.0  528.91      1
  -3.37191907E0  6.18953322E-2 -3.77368199E-5   1.1013891E-8-1.23709218E-12    2
   2.17495406E4   4.18567684E1   4.00036055E0 -6.25727801E-4  1.58764283E-4    3
 -2.60854825E-7 1.38700145E-10    2.1064332E4   1.18801829E1                   4
CYPENTN-4M3J            H   9C   6          G      10.0    3000.0  451.07      1
  -3.01888829E0  6.53666245E-2 -4.25401593E-5  1.32583714E-8-1.58143371E-12    2
   1.74262118E4   3.99119184E1   3.94632666E0  3.28517048E-3  1.64955619E-4    3
 -2.94963183E-7 1.70105404E-10   1.68010595E4   1.18895739E1                   4
CH2CHCHCHO              H   5O   1C   4     G     300.0    5000.0  1400.0      1
   1.32551859E1  1.19066619E-2 -4.06547591E-6  6.3031261E-10-3.65301442E-14    2
   4.28822305E3  -4.47690775E1 -4.93209912E-1  5.26550104E-2 -5.15159642E-5    3
  2.57409661E-8-5.03442115E-12   8.26367547E3   2.61133171E1                   4
FURAN                   H   4O   1C   4     G     100.0    5000.0  826.92      1
   5.72417062E0  2.07489889E-2 -9.21393108E-6  1.85135829E-9-1.37927702E-13    2
  -7.25190605E3  -7.59062233E0   1.05838883E0  1.13229749E-2  6.59226383E-5    3
 -1.05514436E-7 4.64675092E-11  -5.38633448E3   2.06467994E1                   4
C4H5O-3                 H   5O   1C   4     G     300.0    5000.0  1000.0      1
    2.0180775E1   1.2747848E-3  -6.1260515E-8 -9.9676691E-13  2.6328857E-16    2
   -4.5706992E3   -8.7034477E1    2.1551745E0   3.2899953E-2  -1.5094073E-5    3
   1.7689651E-9 -3.3620218E-13    2.2780576E3    1.2867317E1                   4
C2H3CHOHCH2             H   7O   1C   4     G     200.0    3000.0  1000.0      1
    7.3748472E0   2.5688806E-2 -1.18386351E-5  2.68864697E-9-2.43623078E-13    2
   2.90835343E3  -6.61404529E0    4.9130433E0  3.78035281E-2 -4.16812607E-5    3
  3.79102378E-8-1.52755065E-11   3.46131715E3   5.21552494E0                   4
C2H3CHOHCH2OO           H   7O   3C   4     G     300.0    5000.0  1408.0      1
   1.74820065E1  1.65805837E-2 -5.53868543E-6 8.46228891E-10-4.85477973E-14    2
  -2.06770991E4  -5.74984892E1   1.82907306E0  5.79328791E-2 -4.79555374E-5    3
   2.0731175E-8  -3.607271E-12  -1.57605149E4   2.47999343E1                   4
C4H51OH3Q4-3            H   7O   3C   4     G     100.0    5000.0 1280.11      1
   1.87755833E1  1.67511381E-2 -5.94079659E-6  1.01810733E-9-6.79047484E-14    2
  -2.56221474E4   -6.6820991E1  1.40861453E-1  7.49798764E-2 -7.41720128E-5    3
  3.65522897E-8-7.00760655E-12   -2.0851268E4   2.76824647E1                   4
C4H6OH3-2OO1-4          H   7O   3C   4     G     100.0    5000.0  886.29      1
   1.58173988E1  1.63636708E-2 -1.99691211E-6 6.34382823E-11 7.48584005E-16    2
  -1.94633557E4  -5.39794655E1   1.47022676E0  4.11745085E-2  2.36094879E-5    3
 -7.00442832E-8 3.41188636E-11   -1.5351507E4   2.23552698E1                   4
C4H6OH3-1OO2-4          H   7O   3C   4     G     100.0    5000.0  879.41      1
   1.75525674E1  1.32306671E-2 -3.99612008E-7-2.56928365E-10 2.37205181E-14    2
  -1.87029382E4  -6.19281244E1   1.23491446E0  4.62890369E-2  1.34231303E-5    3
 -6.39604938E-8 3.32641845E-11  -1.42412693E4   2.37479513E1                   4
C4H6OH3O1-2O-4          H   7O   3C   4     G     100.0    5000.0  691.69      1
   9.51375572E0  2.78765806E-2 -8.99043383E-6   1.3765855E-9 -8.3110528E-14    2
  -2.95013752E4  -1.44071217E1   1.32108882E0  6.09211589E-2  -4.9567747E-5    3
  1.05268109E-8 7.43806997E-12  -2.80251498E4   2.45762996E1                   4
C4H51,3OH2              H   6O   1C   4     G     200.0    6000.0  1000.0      1
    1.1756877E1  1.62957646E-2  -5.8674577E-6 9.47794368E-10-5.68012244E-14    2
  -1.33808588E4  -3.61322949E1  5.32202847E-1   3.4794444E-2  9.07363332E-6    3
 -4.26890292E-8  2.1364926E-11  -9.76102764E3   2.46259582E1                   4
C3H4CH2OH-3O            H   7O   2C   4     G     300.0    5000.0  1384.0      1
   1.67237902E1  1.62893097E-2 -5.69978133E-6 8.98524197E-10 -5.2688631E-14    2
  -1.90975797E4  -5.73256364E1   2.45139062E0  4.76173501E-2 -3.17417435E-5    3
  1.07287265E-8 -1.4871266E-12  -1.38958927E4   2.01150648E1                   4
C2H3COCH2OH             H   6O   2C   4     G     300.0    5000.0  1374.0      1
   1.45010066E1  1.57293771E-2 -5.52878496E-6 8.74135857E-10-5.13615582E-14    2
  -3.95492218E4  -4.65251707E1   3.52503727E0  3.70498105E-2 -2.04866837E-5    3
    5.380951E-9-5.47927324E-13   -3.5189419E4   1.41521904E1                   4
C2H3CHOHCO              H   5O   2C   4     G     100.0    5000.0 1012.54      1
   1.22183862E1  1.50723377E-2  -5.6800475E-6  1.04546487E-9 -7.4114612E-14    2
   -1.6047247E4  -2.91232338E1   1.77601559E0  4.18187765E-2 -2.38138682E-5    3
 -1.16348616E-9 3.96456102E-12  -1.31889862E4   2.50572266E1                   4
C3H4CH2OH-1OOH          H   8O   3C   4     G     300.0    5000.0  1371.0      1
   2.15067146E1  1.70137983E-2 -6.07647747E-6  9.7110852E-10-5.74910586E-14    2
  -3.70847019E4  -8.31229073E1   1.59519971E0  5.90033957E-2 -3.81243508E-5    3
  1.13106606E-8-1.20736662E-12  -2.97382895E4   2.53893714E1                   4
C3H4CH2OH-1O            H   7O   2C   4     G     300.0    5000.0  1502.0      1
   1.71974002E1  1.64461405E-2 -5.88477087E-6 9.41603116E-10-5.57896598E-14    2
  -1.83089012E4  -6.07872595E1   6.65239296E0  2.39519793E-2  8.12599943E-6    3
 -1.51386006E-8 4.29644312E-12  -1.29560218E4   1.89176185E0                   4
CHCHCH2OH               H   5O   1C   3     G     100.0    5000.0 1664.46      1
   8.29143129E0  1.38661702E-2 -5.11198835E-6 8.67755416E-10-5.61393878E-14    2
   1.01874357E4  -1.40532647E1   2.57027896E0  2.76150996E-2 -1.75023939E-5    3
  5.83047395E-9-8.01531913E-13    1.2091967E4   1.64629361E1                   4
CHOOCHCH2OH             H   5O   3C   3     G     100.0    5000.0 1005.82      1
   9.26488904E0  1.96712721E-2 -7.90816763E-6  1.42568186E-9-9.68510009E-14    2
  -1.09668211E4  -1.26210473E1   1.76383247E0  4.95030849E-2 -5.23987527E-5    3
  3.09156341E-8-7.42697446E-12  -9.45793932E3   2.36104423E1                   4
CHOC3H4OH               H   6O   2C   4     G     300.0    5000.0  1380.0      1
   1.56483679E1  1.46897907E-2 -5.15632446E-6 8.14600326E-10-4.78399746E-14    2
  -3.88944658E4  -5.34469355E1   2.11996229E0  4.43238416E-2 -2.97127304E-5    3
  1.00484103E-8-1.39027193E-12  -3.39592163E4   1.99769992E1                   4
C4H61OOH3-4             H   7O   2C   4     G     200.0    3000.0  1000.0      1
   1.00893329E1  2.67167495E-2 -1.27319814E-5  2.99651496E-9-2.81042918E-13    2
   1.07852212E4  -1.99620311E1   4.70485016E0  4.07146939E-2 -1.92664625E-5    3
  -5.1980909E-9 5.83458246E-12   1.21744186E4   7.70458356E0                   4
C4H61-OOH3-OO4          H   7O   4C   4     G     300.0    5000.0  1395.0      1
   1.92129866E1  1.80533797E-2 -6.22644844E-6 9.72185617E-10-5.66311792E-14    2
   -1.1722834E4  -6.38124953E1   2.96908603E0  5.52680431E-2 -3.85071732E-5    3
  1.35964918E-8-1.93740519E-12  -6.02696693E3   2.36558653E1                   4
C4H61-2OOH34            H   7O   4C   4     G     300.0    5000.0  1392.0      1
   2.40461895E1  1.35992427E-2 -4.71882979E-6 7.40795046E-10-4.33461797E-14    2
  -1.77729681E3  -9.19448524E1  8.07371622E-1  7.42390637E-2 -6.59005046E-5    3
  2.89287584E-8-5.01113774E-12   5.56275422E3   3.04532122E1                   4
C4H61-OOH34-OO2         H   7O   6C   4     G     300.0    5000.0  1397.0      1
   2.96189216E1  1.36224652E-2 -4.74693365E-6 7.47380161E-10-4.38219621E-14    2
  -2.72652141E4  -1.17599351E2  7.32401155E-1  9.27972124E-2 -8.86481619E-5    3
  4.11651984E-8-7.44082707E-12  -1.85343774E4   3.31749869E1                   4
C4H412-OOH34            H   6O   4C   4     G     300.0    5000.0  1390.0      1
   2.37714316E1   1.2269198E-2 -4.37585634E-6 6.98707223E-10-4.13399756E-14    2
  -1.05419085E4  -9.05795816E1   2.25296705E0  7.03405671E-2 -6.59546939E-5    3
  3.07772261E-8-5.66772762E-12  -3.83724444E3   2.22442095E1                   4
C3H3CHO-OOH23           H   6O   5C   4     G     300.0    5000.0  1387.0      1
   2.70408781E1  1.19361788E-2 -4.33840618E-6 7.01448748E-10-4.18636928E-14    2
  -4.19006207E4  -1.07701779E2   1.21286535E0  7.32715332E-2 -5.85847446E-5    3
  2.18420551E-8 -3.0939879E-12  -3.32531372E4   3.02888053E1                   4
C4H4O-OOH24             H   6O   5C   4     G     300.0    5000.0  1388.0      1
   2.52105579E1  1.33311572E-2 -4.78042241E-6 7.66051638E-10-4.54376448E-14    2
  -3.85672545E4  -9.41153859E1  9.59575596E-1  7.65313711E-2 -6.90784876E-5    3
  3.08837168E-8-5.46998241E-12  -3.08308409E4      3.37582E1                   4
C4H512-OO4              H   5O   2C   4     G     300.0    5000.0  1400.0      1
   1.42836297E1  1.30646729E-2  -4.4462031E-6 6.87917196E-10-3.98144345E-14    2
   2.10779108E4  -4.44989804E1   1.52191421E0  4.71698948E-2 -4.03200254E-5    3
  1.80912888E-8-3.27484097E-12   2.50993362E4    2.2547461E1                   4
C4H513-OO2              H   5O   2C   4     G     300.0    5000.0  1405.0      1
   1.56904837E1  1.19260796E-2 -4.06874172E-6  6.3081623E-10-3.65702642E-14    2
   1.32535118E4  -5.61395385E1 -7.53229326E-1  5.71867156E-2 -5.24258034E-5    3
  2.41573152E-8-4.38383698E-12   1.82311643E4   2.96637047E1                   4
CYCCCOO-3J              H   5O   2C   4     G     300.0    5000.0  1435.0      1
   1.14672989E1  1.42206426E-2 -4.40326338E-6 6.36684195E-10-3.50736114E-14    2
    5.2000782E3  -3.52043438E1  -5.17676439E0   6.6292023E-2 -6.57002376E-5    3
   3.2528018E-8-6.18840545E-12   9.52875936E3   4.92800464E1                   4
CH2CYCOO-CH2            H   5O   2C   4     G     300.0    5000.0  1398.0      1
   1.58989765E1  1.20316212E-2 -4.16546349E-6 6.52021319E-10  -3.804665E-14    2
   1.80307061E4  -5.73648764E1  2.58755552E-1  5.57836767E-2 -5.23131171E-5    3
  2.49455274E-8-4.69840113E-12   2.27704741E4   2.41236108E1                   4
C2H3COOCH2              H   5O   2C   4     G     300.0    5000.0  1378.0      1
   1.65803208E1  1.15439736E-2 -4.11631882E-6 6.57144442E-10-3.88749935E-14    2
  -2.11309534E4  -6.07009305E1   2.00791111E0  4.51755954E-2 -3.38733412E-5    3
  1.27342296E-8-1.94378047E-12  -1.60205295E4    1.7725574E1                   4
CYCOOC-CH2              H   5O   2C   4     G     300.0    5000.0  1403.0      1
   1.49632112E1  1.28724587E-2 -4.37191522E-6 6.75553099E-10-3.90654123E-14    2
   2.28933543E4  -5.25926129E1 -2.66210588E-1  5.57788088E-2 -5.16416215E-5    3
  2.44394027E-8-4.56852993E-12   2.74516568E4   2.66023034E1                   4
C4H6O25                 H   6O   1C   4     G     200.0    5000.0  1000.0      1
   8.60658242E0  2.08310051E-2 -8.42229481E-6   1.5671764E-9-1.09391202E-13    2
  -1.76177415E4   -2.3246475E1   2.67053463E0   4.9258642E-3  8.86967406E-5    3
 -1.26219194E-7 5.23991321E-11  -1.46572472E4   1.45722395E1                   4
C2H3CHOCH2              H   6O   1C   4     G     300.0    5000.0  1431.0      1
    1.2676279E1  1.40819509E-2 -4.63473868E-6 7.01090838E-10-3.99438277E-14    2
  -4.08065264E3  -4.22515995E1  -3.59388437E0   5.7906345E-2 -4.97163294E-5    3
  2.15818682E-8-3.69199072E-12   8.58852628E2   4.28475443E1                   4
C4H4O                   H   4O   1C   4     G     200.0    6000.0  1000.0      1
   9.38935003E0  1.40291241E-2  -5.0775511E-6 8.24137332E-10-4.95319963E-14    2
  -8.68241814E3   -2.7916292E1  8.47469463E-1  1.31773796E-2  5.99735901E-5    3
 -9.71562904E-8 4.22733796E-11  -5.36785445E3   2.14945172E1                   4
C4H6O23                 H   6O   1C   4     G     200.0    5000.0  1000.0      1
   8.60658242E0  2.08310051E-2 -8.42229481E-6   1.5671764E-9-1.09391202E-13    2
  -1.32392815E4   -2.3246475E1   2.67053463E0   4.9258642E-3  8.86967406E-5    3
 -1.26219194E-7 5.23991321E-11  -1.02787872E4   1.45722395E1                   4
CPT                     H  10C   5          G     298.0    5000.0 1383.93      1
   5.91980186E0  3.74330669E-2 -1.57413711E-5  3.00551943E-9-2.14019306E-13    2
  -1.41686641E4  -1.19750998E1  -8.04275668E0  7.54034866E-2 -5.41554603E-5    3
  2.02835911E-8-3.16090573E-12  -1.01200965E4   6.06865539E1                   4
C4H61-3                 H   6C   4          G     200.0    3000.0  1000.0      1
    6.6182841E0  2.16524014E-2 -1.00808939E-5  2.30131063E-9-2.08591476E-13    2
   1.04264812E4  -1.19456637E1   3.47058046E0  3.11818008E-3  8.35374096E-5    3
 -1.20922242E-7 5.10785834E-11   1.21836478E4   9.77569638E0                   4
C4H5-I                  H   5C   4          G     200.0    3000.0  1000.0      1
    5.2123633E0  2.11904849E-2 -1.01452904E-5  2.37196412E-9-2.19380798E-13    2
   3.55412121E4  -1.49204241E0   2.33075629E0  2.14211871E-2  1.33107444E-5    3
 -3.53552783E-8 1.67027316E-11   3.65361778E4   1.47998934E1                   4
C4H5-N                  H   5C   4          G     200.0    3000.0  1000.0      1
   7.45536962E0  1.74045229E-2 -7.95862554E-6  1.77798873E-9-1.56947583E-13    2
   4.08746552E4  -1.38471684E1   1.92352714E0  1.92435082E-2  3.45401999E-5    3
 -6.99782564E-8 3.27933293E-11   4.26697358E4   1.69582267E1                   4
C4H5-2                  H   5C   4          G     300.0    5000.0  1385.0      1
   1.03230828E1  1.17625574E-2 -4.00004665E-6 6.18727929E-10 -3.5808353E-14    2
   3.25861413E4  -2.88794317E1   2.31011292E0  2.83747046E-2 -1.63836755E-5    3
  4.46251967E-9-4.30510879E-13   3.55842945E4   1.49105965E1                   4
C4H4                    H   4C   4          G     300.0    3000.0  1000.0      1
    6.6507092E0   1.6129434E-2  -7.1938875E-6   1.4981787E-9  -1.186411E-13    2
    3.1195992E4   -9.7952118E0   -1.9152479E0   5.2750878E-2  -7.1655944E-5    3
   5.5072423E-8 -1.7286228E-11    3.2978504E4    3.1419983E1                   4
C4H3-I                  H   3C   4          G     300.0    3000.0  1000.0      1
    9.0978165E0   9.2207119E-3  -3.3878441E-6  4.9160498E-10  -1.452978E-14    2
    5.6600574E4   -1.9802597E1    2.0830412E0   4.0834274E-2  -6.2159685E-5    3
   5.1679358E-8 -1.7029184E-11    5.8005129E4    1.3617462E1                   4
C4H3-N                  H   3C   4          G     300.0    3000.0  1000.0      1
    5.4328279E0   1.6860981E-2  -9.4313109E-6   2.5703895E-9 -2.7456309E-13    2
     6.160068E4   -1.5673981E0  -3.1684113E-1     4.69121E-2   -6.809381E-5    3
   5.3179921E-8 -1.6523005E-11    6.2476199E4    2.4622559E1                   4
C4H2                    H   2C   4          G     100.0    5000.0 1061.12      1
   8.53383593E0  6.48510854E-3 -2.11585438E-6 3.35827397E-10-2.11540291E-14    2
   5.22064556E4  -2.14748326E1   2.01411625E0   3.1061966E-2 -3.68578732E-5    3
  2.21631889E-8-5.16370619E-12   5.35900904E4   1.03657992E1                   4
CH2CHCHCHCCH            H   6C   6          G     300.0    5000.0  1394.0      1
   1.71155812E1  1.35873582E-2 -4.71347534E-6 7.38927269E-10-4.31678854E-14    2
   3.34001333E4  -6.63949871E1  -1.63758241E0  6.58049292E-2 -6.19478129E-5    3
  2.95388753E-8-5.56039075E-12   3.91068149E4   3.13986448E1                   4
C4H612                  H   6C   4          G     300.0    5000.0  1392.0      1
   9.98419461E0  1.45179551E-2 -4.93059841E-6 7.61740334E-10-4.40397397E-14    2
   1.44449295E4  -2.87041308E1  8.99818731E-1  3.46981453E-2  -2.2115108E-5    3
  7.49527919E-9-1.07488909E-12   1.77465204E4   2.05248012E1                   4
C4H6-2                  H   6C   4          G    298.15    2000.0  1000.0      1
    3.2849331E0  2.56208578E-2 -1.13437876E-5  2.13794807E-9-1.05016221E-13    2
   1.53435097E4   7.73047992E0   2.65653419E0  2.30439838E-2  1.57227991E-7    3
 -1.06198653E-8 4.35705454E-12   1.57237129E4   1.20347588E1                   4
CH3CCOCH3               H   6O   1C   4     G     100.0    5000.0 2469.57      1
   1.22744139E1  1.92872849E-2 -8.23413518E-6  1.43793242E-9-9.18536887E-14    2
   1.60215753E4  -2.90936397E1   2.68338109E0  3.48218971E-2 -1.76696744E-5    3
   3.9850589E-9-3.49702758E-13     2.075876E4   2.58483453E1                   4
H2C4O                   H   2O   1C   4     G     300.0    4000.0  1000.0      1
     1.026888E1    4.896164E-3   -4.885081E-7  -2.708566E-10   5.107013E-14    2
     2.346903E4    -2.815985E1     4.810971E0    1.313999E-2    9.865073E-7    3
    -6.12072E-9   1.640003E-12     2.545803E4     2.113424E0                   4
CH2CCOCH3               H   5O   1C   4     G     100.0    5000.0 1009.08      1
   1.01301574E1  1.52017904E-2  -5.4554212E-6  9.5187623E-10-6.46431807E-14    2
   6.41528036E3   -2.4667176E1   2.02971909E0  3.87132455E-2 -2.76231239E-5    3
  7.15255867E-9 4.91353913E-13   8.48785529E3   1.66551721E1                   4
SC4H6OH-2               H   7O   1C   4     G     100.0    5000.0 1021.94      1
   1.16011772E1  1.79891688E-2 -6.47558406E-6  1.13045256E-9-7.66857186E-14    2
  -3.24465894E3   -3.2784999E1   1.57811344E0  4.77991522E-2 -3.64016197E-5    3
  1.16314071E-8-4.38619568E-13  -7.04092973E2   1.81950731E1                   4
CH3COCOCH3              H   6O   2C   4     G     100.0    5000.0 1988.34      1
   1.29515497E1  1.98279423E-2 -8.42117461E-6   1.5071177E-9-9.91824898E-14    2
  -4.62733061E4  -4.15983013E1   1.97038732E0  4.19197283E-2 -2.50876824E-5    3
  7.09536831E-9-8.01831447E-13  -4.19065816E4   1.89264805E1                   4
CH3COHOJCOCH3           H   7O   3C   4     G     100.0    5000.0  926.39      1
   2.14034406E1  9.08834838E-3 -1.05469803E-6 9.32852819E-11-9.09403696E-15    2
  -5.31467593E4   -8.0626537E1  5.56850276E-1  6.09538299E-2 -2.32680313E-5    3
  -2.8370841E-8 1.96677809E-11   -4.7647474E4   2.71869558E1                   4
CH2CCO2HCH3             H   6O   2C   4     G     100.0    5000.0  955.73      1
   7.81579719E0  2.81610969E-2 -1.31644936E-5  2.55613985E-9   -1.81092E-13    2
   5.72695425E3  -8.80268997E0   1.72666497E0   5.3645935E-2 -5.31626176E-5    3
  3.04568236E-8-7.47938574E-12   6.89086295E3   2.02981144E1                   4
C3H6CHO-1O2             H   7O   3C   4     G     300.0    5000.0  1393.0      1
   1.76307908E1  1.77434874E-2 -6.47118922E-6   1.0991564E-9-6.85650955E-14    2
  -2.63378408E4  -5.99652189E1 -1.44726948E-2  6.27634306E-2 -5.12890992E-5    3
  2.16695721E-8-3.70789338E-12  -2.06017447E4   3.34348635E1                   4
C3H6CHO-2O2             H   7O   3C   4     G     300.0    5000.0  1366.0      1
   1.83104922E1  1.79423683E-2 -6.10216813E-6 9.44908514E-10 -5.4756893E-14    2
   -2.6795087E4  -6.46618054E1   4.58791021E0  4.42780161E-2 -2.26581832E-5    3
  4.18091082E-9 5.80557748E-14  -2.14781823E4   1.10346186E1                   4
C3H6CHO-3O2             H   7O   3C   4     G     300.0    5000.0  1360.0      1
   1.80567176E1   1.8342386E-2 -6.27956292E-6 9.76597608E-10-5.67606901E-14    2
  -2.52108602E4  -6.26976062E1   5.36686428E0  4.04034632E-2 -1.70314395E-5    3
 9.61066124E-10 7.06963225E-13   -2.0036828E4   8.16284576E0                   4
C3H6COQ1                H   7O   3C   4     G     300.0    5000.0  1394.0      1
   1.80065611E1  1.84806776E-2 -7.50685255E-6  1.37789888E-9-8.99606699E-14    2
  -2.51840204E4  -6.09987511E1  4.85903573E-1  6.53580465E-2 -5.61950815E-5    3
  2.44886578E-8-4.27885474E-12  -1.97512116E4   3.08954041E1                   4
C3H5CHOQ1-3             H   7O   3C   4     G     300.0    5000.0  1394.0      1
   1.81602515E1   1.8520837E-2 -7.47583958E-6  1.36028689E-9-8.81875145E-14    2
  -1.99376163E4  -6.14297152E1 -5.69435201E-1  6.87595815E-2 -5.97787242E-5    3
  2.62378664E-8-4.60504145E-12  -1.41441927E4   3.67582812E1                   4
C3H6COQ2                H   7O   3C   4     G     300.0    5000.0  1392.0      1
   1.84872309E1  1.64895776E-2  -5.8206786E-6 9.69447452E-10-5.98644677E-14    2
  -2.52684576E4  -6.35233858E1   3.90868701E0  5.28969908E-2 -4.13170637E-5    3
  1.69715716E-8-2.85171551E-12  -2.04357784E4    1.3947676E1                   4
C3H5CHOQ2-1             H   7O   3C   4     G     300.0    5000.0  1416.0      1
   2.04137456E1  1.48247948E-2 -4.73762615E-6 7.02188194E-10-3.94326053E-14    2
  -2.80523711E4    -7.668364E1    -2.062335E0  8.26258717E-2 -8.27361297E-5    3
  4.07843322E-8-7.73505567E-12  -2.19053153E4   3.83843573E1                   4
C3H6COQ3                H   7O   3C   4     G     300.0    5000.0  1392.0      1
   1.82030915E1  1.65449087E-2 -5.72142585E-6 9.36828903E-10-5.72202312E-14    2
   -2.3600548E4  -6.12005415E1   4.21432553E0  5.11167086E-2 -3.90769436E-5    3
  1.58352754E-8-2.63755528E-12  -1.89203806E4   1.32762008E1                   4
C3H5CHOQ3-1             H   7O   3C   4     G     300.0    5000.0  1393.0      1
   1.98513657E1  1.69888286E-2 -6.62994762E-6  1.17132611E-9-7.43914327E-14    2
  -2.65661678E4  -7.42418989E1   1.00398785E0  6.70838885E-2 -5.83884632E-5    3
  2.56535997E-8-4.50346275E-12  -2.06798496E4   2.47436251E1                   4
C3H5CHOQ3-2             H   7O   3C   4     G     300.0    5000.0  1392.0      1
   1.81711113E1  1.68107624E-2 -5.80997801E-6 9.44917186E-10 -5.7314576E-14    2
  -1.88406465E4   -5.9860445E1    3.4420959E0   5.3304585E-2 -4.11043996E-5    3
  1.67410798E-8-2.79731327E-12  -1.39246845E4   1.85203577E1                   4
CH3CYC2H2OCHO           H   6O   2C   4     G     300.0    5000.0  1377.0      1
   1.53985115E1  1.64633481E-2 -5.83447618E-6 9.27587317E-10-5.47143564E-14    2
  -3.20884336E4  -5.72230801E1  -1.32566232E0  5.44608754E-2  -3.9483911E-5    3
  1.49077818E-8 -2.3623832E-12  -2.60783037E4   3.31397493E1                   4
CYC3H5OCHO              H   6O   2C   4     G     300.0    5000.0  1366.0      1
    1.4830191E1  1.71016226E-2 -6.09155616E-6 9.71758214E-10  -5.745614E-14    2
   -3.1561311E4  -5.47333707E1  -1.54724315E0   4.8868661E-2  -2.7131501E-5    3
   6.0877727E-9-2.86301384E-13  -2.51870149E4   3.55943415E1                   4
CYC2H3OCH2CHO           H   6O   2C   4     G     300.0    5000.0  1355.0      1
   1.46295067E1  1.71732309E-2 -6.09223047E-6 9.69187039E-10-5.71925922E-14    2
   -3.0313335E4  -5.18868414E1   3.91622553E0  3.17365235E-2 -7.55431845E-6    3
 -3.76467617E-9 1.55700316E-12  -2.54388359E4   9.54684554E0                   4
C3H5CHOQ1-3O2           H   7O   5C   4     G     300.0    5000.0  1393.0      1
   2.24597806E1  1.93911661E-2  -7.5315079E-6  1.33619711E-9-8.53707291E-14    2
  -3.78616232E4  -7.95559455E1   2.76918822E0  7.11743442E-2 -6.05223799E-5    3
  2.62052842E-8-4.55767005E-12  -3.16469629E4   2.40700714E1                   4
C3H5CHOQ2-1O2           H   7O   5C   4     G     300.0    5000.0  1394.0      1
   2.23377547E1  2.01125396E-2  -8.1231802E-6   1.4759107E-9-9.54655898E-14    2
  -3.93573798E4   -7.9626687E1   2.07827336E0  7.45280662E-2 -6.48274638E-5    3
  2.84617776E-8-4.99644665E-12  -3.31012889E4   2.65499029E1                   4
C3H5CHOQ3-1O2           H   7O   5C   4     G     300.0    5000.0  1393.0      1
   2.24597806E1  1.93911661E-2  -7.5315079E-6  1.33619711E-9-8.53707291E-14    2
  -3.78616232E4  -7.95559455E1   2.76918822E0  7.11743442E-2 -6.05223799E-5    3
  2.62052842E-8-4.55767005E-12  -3.16469629E4   2.40700714E1                   4
C2H4COCHOQ3             H   6O   4C   4     G     300.0    5000.0  1392.0      1
   2.02495658E1  1.59813646E-2 -5.87949055E-6 9.97435683E-10-6.18971778E-14    2
   -5.3590116E4  -7.25341009E1   3.45435154E0  5.92269849E-2 -4.92948329E-5    3
  2.10617317E-8-3.62998316E-12  -4.81786881E4    1.6212077E1                   4
CH3COCHCHOQ1            H   6O   4C   4     G     300.0    5000.0  1393.0      1
   1.91934719E1  1.70720269E-2 -6.49868544E-6  1.13389646E-9-7.16819649E-14    2
  -5.83378191E4  -6.66954418E1   1.13399307E0  6.42706934E-2 -5.45392727E-5    3
  2.35879096E-8-4.09845849E-12  -5.26015455E4   2.84625618E1                   4
CHOCH2CHCHOQ1           H   6O   4C   4     G     300.0    5000.0  1393.0      1
   1.91074231E1  1.77382588E-2 -7.10869592E-6  1.28374628E-9-8.27299115E-14    2
  -5.46346229E4  -6.48673463E1  6.65448639E-1  6.71660189E-2  -5.8532523E-5    3
  2.57314456E-8-4.52032233E-12  -4.89256755E4   3.18273749E1                   4
NC3H7CHO                H   8O   1C   4     G     300.0    5000.0  1679.0      1
   1.19789345E1  2.04894148E-2 -7.24831619E-6  1.15561709E-9-6.84119824E-14    2
   -3.0927213E4  -3.63929716E1   1.24208539E0  4.21277518E-2 -2.13832135E-5    3
  4.22614614E-9-1.03710908E-13  -2.71049353E4   2.21567167E1                   4
NC3H7CO                 H   7O   1C   4     G     300.0    5000.0  2009.0      1
   1.12985564E1  1.88433093E-2 -6.47020269E-6  1.01213996E-9-5.91651286E-14    2
  -1.11491841E4  -3.00451398E1   2.55036037E0  3.66123221E-2  -1.8336315E-5    3
  3.78113452E-9-1.51825816E-13  -8.03077767E3   1.76299131E1                   4
C3H6CHO-1               H   7O   1C   4     G     300.0    5000.0  1421.0      1
    1.4858204E1  1.53363226E-2 -5.09482447E-6 7.75576138E-10-4.43833534E-14    2
  -1.48568935E4  -5.35144849E1  -3.09238749E0  6.44148836E-2 -5.66744754E-5    3
  2.52871713E-8-4.45177226E-12  -9.44491839E3   4.01747352E1                   4
C3H6CHO-2               H   7O   1C   4     G     300.0    5000.0  1670.0      1
   1.07994524E1  1.99666357E-2 -7.02264763E-6  1.11646813E-9-6.59999601E-14    2
  -6.53228862E3  -2.72019911E1    2.1719477E0  3.46012587E-2 -1.28784825E-5    3
 2.46075165E-11  6.5457597E-13  -3.18932228E3   2.08388838E1                   4
C3H6CHO-3               H   7O   1C   4     G     300.0    5000.0  1680.0      1
   1.11057761E1  1.94829033E-2 -6.80219665E-6  1.07611215E-9-6.33985135E-14    2
  -5.79319962E3   -2.8594036E1   2.50394898E0  3.52020899E-2 -1.49538799E-5    3
  1.51842245E-9  3.2624093E-13  -2.56469857E3   1.89082252E1                   4
CH3CHOOCOCH3            H   7O   3C   4     G     300.0    5000.0  1411.0      1
   1.68056216E1  1.70791389E-2  -5.6943945E-6 8.68878944E-10-4.98008338E-14    2
  -3.06718613E4   -5.5117896E1   4.30171569E0  4.62273591E-2 -3.12564494E-5    3
  1.08627824E-8-1.51478379E-12  -2.63732146E4   1.19724375E1                   4
CH2CHOOHCOCH3           H   7O   3C   4     G     300.0    5000.0  1413.0      1
   1.78031394E1  1.60286227E-2 -5.38152372E-6  8.2524231E-10-4.74718968E-14    2
  -2.30767899E4  -5.87370258E1   4.45962223E0  4.67200276E-2 -3.15878907E-5    3
  1.06245787E-8-1.38857032E-12  -1.84720686E4   1.29655977E1                   4
C2H5COCH3               H   8O   1C   4     G     300.0    5000.0  1454.0      1
   1.28183044E1  1.79874386E-2 -5.94194784E-6 9.01636365E-10-5.14993729E-14    2
  -3.51711964E4  -4.11609193E1   2.57048052E0  3.51446793E-2 -1.23849584E-5    3
 -1.21280927E-9 1.16163555E-12  -3.10194049E4   1.61395232E1                   4
C2H5COCH2               H   7O   1C   4     G     300.0    5000.0  1396.0      1
    1.3597948E1  1.57187785E-2  -5.3520082E-6 8.28428039E-10-4.79645862E-14    2
  -1.30111973E4  -4.46215708E1   1.96643032E0  4.10271409E-2 -2.56193885E-5    3
  7.86244495E-9-9.26825962E-13  -8.80149212E3   1.84803948E1                   4
CH2CH2COCH3             H   7O   1C   4     G     300.0    5000.0  1392.0      1
   1.17915603E1  1.70296457E-2 -5.75444256E-6 8.86035114E-10-5.11070778E-14    2
  -9.70683178E3  -3.25532787E1   2.36191763E0  3.50400641E-2 -1.70487065E-5    3
   3.0907021E-9 2.80364847E-14  -6.02754073E3   1.95184512E1                   4
CH3CHCOCH3              H   7O   1C   4     G     300.0    5000.0  1438.0      1
   1.19651378E1  1.63142163E-2  -5.3987952E-6 8.20454677E-10-4.69197541E-14    2
  -1.51990676E4  -3.30142593E1   3.31082456E0  2.83712402E-2 -5.64603859E-6    3
 -4.62626296E-9 1.82954207E-12  -1.14602301E4   1.62217415E1                   4
C2H3COCH3               H   6O   1C   4     G     300.0    5000.0  1390.0      1
   1.19989844E1  1.52616304E-2 -5.26018882E-6 8.20774274E-10-4.77834528E-14    2
   -2.1217062E4  -3.71383523E1    6.559107E-1  4.19405303E-2 -3.00269693E-5    3
  1.16578089E-8-1.92100897E-12  -1.72216627E4   2.38412293E1                   4
C2H5CHCO                H   6O   1C   4     G     300.0    5000.0  2038.0      1
   1.48716368E1  1.44579209E-2 -5.41685036E-6  8.9642468E-10-5.44332329E-14    2
  -1.86152167E4  -5.51247834E1   3.07559957E0  3.89367803E-2 -2.25485467E-5    3
  5.41518777E-9-3.55064763E-13  -1.44468481E4   8.99415847E0                   4
CH3CHOOHCHCO            H   6O   3C   4     G     100.0    5000.0  794.92      1
   9.84282822E0   3.0004001E-2 -1.39499806E-5  2.63721617E-9-1.81587575E-13    2
  -2.66311234E4  -1.77221894E1  6.21559081E-1  7.95311479E-2 -1.13305796E-4    3
  9.09100357E-8-2.94989966E-11  -2.52638603E4   2.40274327E1                   4
CH3CHOCHCO              H   5O   2C   4     G     100.0    5000.0  809.45      1
    8.5060152E0  2.35281311E-2 -1.03076395E-5  1.91069515E-9-1.30716328E-13    2
   -7.3225317E3  -1.24033669E1    1.4930076E0  5.81826302E-2 -7.45240769E-5    3
  5.47978583E-8 -1.6464455E-11  -6.18715761E3   1.99480256E1                   4
OVCCVCVO                H   2O   2C   3     G     300.0    5000.0  1405.0      1
   1.29754391E1  4.85811912E-3 -1.71609606E-6 2.72356216E-10-1.60491714E-14    2
  -2.75926906E4  -4.17476181E1   1.42500218E0  3.80480755E-2 -3.85376023E-5    3
  1.87386556E-8-3.50896646E-12  -2.42467128E4   1.80096036E1                   4
C8H141-5,3-4            H  14C   8          G     300.0    5000.0  1396.0      1
    2.3069068E1  3.23154042E-2 -1.10795683E-5  1.72276354E-9-1.00052582E-13    2
  -8.91240214E3  -9.49655754E1  -2.52713194E0  9.28837673E-2 -6.67176819E-5    3
  2.53683579E-8-4.01212661E-12   -4.5596594E1   4.23180878E1                   4
C8H131-5,3-4,TA         H  13C   8          G     300.0    5000.0  1394.0      1
   2.22822575E1  3.10651867E-2 -1.06940907E-5  1.66739777E-9 -9.7024345E-14    2
   7.57680613E3  -9.19858764E1  -3.23996819E0   9.1349493E-2 -6.60037456E-5    3
  2.51706078E-8-3.99030974E-12   1.64345368E4    4.4949886E1                   4
C6H101-3,3              H  10C   6          G     300.0    5000.0  1395.0      1
   1.69678361E1  2.28868236E-2 -7.78758381E-6  1.20465198E-9-6.97080856E-14    2
  -2.97276905E3  -6.58632941E1 -3.01310455E-2  6.43105079E-2 -4.75083462E-5    3
  1.89877768E-8-3.17681035E-12   2.82367411E3   2.49254708E1                   4
C8H131-5,3-4,TAO        H  13O   1C   8     G     300.0    5000.0  1394.0      1
    2.7057905E1  2.84726632E-2 -9.66434779E-6  1.49337149E-9-8.63788413E-14    2
  -4.43111126E3  -1.12228392E2   1.00679908E0  8.90191278E-2 -6.27963646E-5    3
  2.24161585E-8 -3.2058706E-12   4.56422741E3    2.7654664E1                   4
C8H141-5,3              H  14C   8          G     300.0    5000.0  1392.0      1
   2.25173982E1  3.26748629E-2 -1.11807923E-5  1.73629966E-9-1.00752481E-13    2
   -8.9606279E3  -9.10857551E1  -1.02072126E0  8.47808555E-2 -5.47568199E-5    3
   1.8179207E-8-2.47335881E-12  -4.53248586E2   3.64247438E1                   4
C8H131-5,3,TA           H  13C   8          G     300.0    5000.0  1389.0      1
   2.16161787E1  3.14326704E-2 -1.07786324E-5  1.67632587E-9-9.73755313E-14    2
   7.60897211E3  -8.80384104E1 -5.03201172E-1  7.78854227E-2 -4.63156182E-5    3
  1.32834166E-8 -1.4262305E-12   1.58388712E4   3.26514434E1                   4
C8H131-5,3,SA           H  13C   8          G     300.0    5000.0  1392.0      1
   2.21141889E1  3.09871348E-2 -1.06198459E-5  1.65100088E-9-9.58788408E-14    2
    8.0850978E3  -9.01448021E1  -1.32185914E0  8.30473789E-2 -5.42213233E-5    3
  1.80737386E-8-2.45105483E-12   1.65183103E4   3.67169651E1                   4
C8H131-5,3,PA           H  13C   8          G     300.0    5000.0  1389.0      1
   2.32085707E1  2.97529224E-2 -1.01333635E-5  1.56925634E-9-9.09001242E-14    2
   8.95338901E3  -9.40777602E1  -1.57063382E0  8.60080913E-2 -5.83884368E-5    3
  2.02048105E-8-2.83115953E-12   1.77015232E4   3.95476224E1                   4
C8H131-5,3,TAO          H  13O   1C   8     G     300.0    5000.0  1396.0      1
    2.1663886E1  2.77253448E-2 -9.69375951E-6   1.6758212E-9-1.08059396E-13    2
  -5.70300683E3  -9.33237797E1   1.46771925E0  7.67800622E-2 -5.63189881E-5    3
  2.22689786E-8-3.64813515E-12   1.17475936E3   1.45619856E1                   4
C8H131-5,3,SAO          H  13O   1C   8     G     300.0    5000.0  1385.0      1
   2.61023602E1  3.05036647E-2 -1.06268215E-5  1.67026867E-9-9.77389024E-14    2
  -3.64744193E3  -1.06781316E2   1.60953926E0  8.39738786E-2 -5.49469234E-5    3
  1.84255257E-8-2.56040058E-12   5.33713436E3   2.62653941E1                   4
C8H131-5,3,PAO          H  13O   1C   8     G     300.0    5000.0  1374.0      1
   2.51902631E1  3.15630048E-2   -1.105683E-5  1.74424175E-9-1.02327221E-13    2
  -1.34401684E3  -1.01448477E2   3.91532442E0  7.10319966E-2 -3.55623644E-5    3
  6.98595095E-9 -1.8346584E-13   7.22911524E3   1.67145758E1                   4
C7H111-5,3,6P           H  11C   7          G     300.0    5000.0  1396.0      1
   1.95787047E1  2.54213538E-2 -8.68127275E-6  1.34629701E-9-7.80464853E-14    2
   2.58537943E4   -7.4411233E1 -6.76848821E-1  7.38082653E-2  -5.3594522E-5    3
  2.06293915E-8 -3.2970111E-12   3.28160434E4   3.40518079E1                   4
C8H142-6                H  14C   8          G     300.0    5000.0  1386.0      1
   2.20960852E1  3.27887472E-2 -1.11700037E-5  1.72970378E-9-1.00179059E-13    2
  -9.04951881E3  -8.92942652E1  3.43524821E-1   7.7235912E-2  -4.3486146E-5    3
  1.12949093E-8-9.77995416E-13  -8.37798357E2   2.98241439E1                   4
C8H132-6,SA             H  13C   8          G     300.0    5000.0  1387.0      1
   2.16167233E1  3.12260643E-2 -1.06640216E-5  1.65409816E-9-9.59112187E-14    2
   8.03384556E3   -8.7219443E1  2.20017932E-1  7.48621425E-2 -4.21239973E-5    3
  1.07414215E-8-8.66560315E-13   1.61027987E4   2.99517204E1                   4
C8H132-6,PA             H  13C   8          G     300.0    5000.0  1378.0      1
   2.29293875E1  2.97187394E-2 -1.00712335E-5  1.55505094E-9-8.99129602E-14    2
   8.77975921E3  -9.24517461E1  1.05119796E-1   7.7015035E-2 -4.48890925E-5    3
  1.19516688E-8-1.04377517E-12   1.72713386E4   3.22058738E1                   4
C8H132-6,SAO            H  13O   1C   8     G     300.0    5000.0  1381.0      1
   2.54267504E1  3.10421548E-2 -1.08045689E-5  1.69716523E-9-9.92701997E-14    2
  -3.28641768E3  -1.02872762E2   3.34168622E0  7.49917518E-2 -4.18382842E-5    3
  1.06108028E-8-8.96488454E-13   5.24458399E3   1.86128166E1                   4
C8H132-6,PAO            H  13O   1C   8     G     300.0    5000.0  2014.0      1
   1.99391776E1  3.79081645E-2 -1.37893231E-5  2.23770591E-9-1.34044177E-13    2
   1.42981257E3  -7.07923233E1   6.30807632E0  5.80374259E-2 -1.75637726E-5    3
  -2.7088776E-9 1.61702129E-12   7.07839485E3    6.2934456E0                   4
C7H111-5,1P             H  11C   7          G     300.0    5000.0  1388.0      1
   1.91915682E1  2.55013021E-2 -8.65881522E-6  1.33796943E-9-7.73784878E-14    2
   2.60946287E4  -7.21387547E1  8.16831855E-1  6.56745024E-2 -4.14490949E-5    3
  1.32234876E-8-1.69289568E-12   3.27646149E4   2.75442934E1                   4
C5H5CH3-1               H   8C   6          G     300.0    5000.0  1398.0      1
   1.50340047E1  2.04185116E-2 -6.97043123E-6  1.08100581E-9-6.26770876E-14    2
   4.36152703E3  -5.84840756E1  -4.85526203E0  7.01843167E-2 -5.64257356E-5    3
  2.45599738E-8-4.55996125E-12   1.09594237E4   4.72361312E1                   4
C5H5CH3-2               H   8C   6          G     300.0    5000.0  1397.0      1
   1.49358231E1  2.07204882E-2 -7.12075715E-6  1.10910625E-9-6.44955257E-14    2
   4.21973626E3  -5.80592282E1   -5.1067818E0  7.16988475E-2 -5.92912396E-5    3
  2.68400844E-8-5.18704752E-12   1.08372235E4   4.82757623E1                   4
C5H5CH2-1               H   7C   6          G     300.0    5000.0  1397.0      1
     1.600095E1  1.74775366E-2 -6.04888686E-6 9.46697639E-10-5.52383113E-14    2
   1.89331639E4  -6.37501499E1  -5.51494836E0  7.62865173E-2 -7.08169924E-5    3
  3.48372736E-8-7.04893103E-12   2.56380901E4   4.89742458E1                   4
C5H5CH2-2               H   7C   6          G     300.0    5000.0  1398.0      1
   1.61072691E1  1.73692888E-2  -6.0074232E-6 9.39783915E-10-5.48175033E-14    2
   2.18936092E4  -6.42898814E1  -5.23109521E0  7.55274387E-2  -6.9756157E-5    3
  3.41064092E-8-6.86051432E-12   2.85484814E4   4.75422184E1                   4
CYC6H7                  H   7C   6          G     300.0    5000.0  1397.0      1
    1.4580753E1  1.90472668E-2 -6.57818915E-6  1.02815839E-9-5.99380191E-14    2
   1.74041915E4  -5.69878049E1  -6.31362107E0  7.16680944E-2 -5.92387132E-5    3
  2.61855709E-8-4.89962261E-12   2.42993483E4   5.39513361E1                   4
C6H7-2                  H   7C   6          G     100.0    5000.0  956.84      1
   1.31801461E1  2.02036659E-2 -6.69495806E-6  1.18324786E-9-8.42554547E-14    2
    3.4630951E4  -4.13920845E1   1.67675678E0  3.91983322E-2  9.13815308E-6    3
 -4.16267941E-8 1.94040212E-11   3.81641868E4    2.0557265E1                   4
CVOCVCCOOH              H   6O   3C   4     G     100.0    5000.0   757.9      1
    5.9193646E0  3.82041214E-2 -1.98507907E-5  4.02439825E-9-2.91622556E-13    2
   -2.4518542E4   3.66984751E0   1.50726888E0  6.14898804E-2 -6.59365917E-5    3
   4.4562309E-8-1.36633296E-11  -2.38497525E4   2.37326356E1                   4
OVCCVCCOJ               H   5O   2C   4     G     100.0    5000.0  765.75      1
  7.66668974E-1   3.8459816E-2 -2.00832121E-5  4.01738329E-9-2.86185606E-13    2
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  7.02098452E-8-3.04906618E-11  -5.32953695E3   2.13078683E1                   4
OVCCVCCJVO              H   3O   2C   4     G     300.0    5000.0  1394.0      1
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C5H4CH3                 H   7C   6          G     300.0    5000.0  1400.0      1
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C5H5CH2                 H   7C   6          G     300.0    5000.0  1402.0      1
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OVCCVCCVO               H   4O   2C   4     G     298.0    5000.0 1368.49      1
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C5H11O2H-1              H  12O   2C   5     G     300.0    5000.0  1393.0      1
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C5H11O2H-2              H  12O   2C   5     G     300.0    5000.0  1400.0      1
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C5H11O2H-3              H  12O   2C   5     G     300.0    5000.0  1400.0      1
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C5H11O2-1               H  11O   2C   5     G     300.0    5000.0  1392.0      1
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C5H11O2-2               H  11O   2C   5     G     300.0    5000.0  1401.0      1
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C5H11O2-3               H  11O   2C   5     G     300.0    5000.0  1401.0      1
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C5H11O-1                H  11O   1C   5     G     300.0    5000.0  1396.0      1
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C5H11O-2                H  11O   1C   5     G     300.0    5000.0  1407.0      1
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C5H11O-3                H  11O   1C   5     G     300.0    5000.0  1407.0      1
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C5H10OOH1-2             H  11O   2C   5     G     300.0    5000.0  1396.0      1
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C5H10OOH1-3             H  11O   2C   5     G     300.0    5000.0  1396.0      1
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C5H10OOH1-4             H  11O   2C   5     G     300.0    5000.0  1396.0      1
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C5H10OOH1-5             H  11O   2C   5     G     300.0    5000.0  1393.0      1
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C5H10OOH2-3             H  11O   2C   5     G     300.0    5000.0  1410.0      1
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C5H10OOH1-3O2           H  11O   4C   5     G     300.0    5000.0  1394.0      1
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C5H10OOH3-1O2           H  11O   4C   5     G     300.0    5000.0  1394.0      1
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C5H10OOH3-2O2           H  11O   4C   5     G     300.0    5000.0  1405.0      1
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C5H91-2,3OOH            H  11O   4C   5     G     300.0    5000.0  1405.0      1
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C5H91-2,4OOH            H  11O   4C   5     G     300.0    5000.0  1405.0      1
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C5H91-2,5OOH            H  11O   4C   5     G     300.0    5000.0  1397.0      1
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C5H91-3,4OOH            H  11O   4C   5     G     300.0    5000.0  1405.0      1
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C5H91-3,5OOH            H  11O   4C   5     G     300.0    5000.0  1397.0      1
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NC5KET32                H  10O   3C   5     G     300.0    5000.0  1388.0      1
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  -5.22889844E4  -9.61325613E1  3.80342038E-1  7.67072849E-2 -5.67635185E-5    3
  2.07068449E-8-2.96497951E-12  -4.41579478E4     3.210977E1                   4
NC5KET12O               H   9O   2C   5     G     300.0    5000.0  1377.0      1
   2.09367959E1  2.00874425E-2  -7.0482967E-6  1.11330293E-9-6.53771464E-14    2
  -3.04314417E4  -8.04081881E1   2.82328315E0  5.56013887E-2 -3.02956498E-5    3
  6.22735484E-9-8.25379616E-14  -2.35055878E4   1.92120018E1                   4
NC5KET13O               H   9O   2C   5     G     300.0    5000.0  1323.0      1
    2.1122512E1   1.9083024E-2 -6.52403075E-6   1.0136831E-9-5.88793478E-14    2
  -3.11151636E4  -8.21812017E1   3.92095399E0  4.94038774E-2 -1.99599619E-5    3
 -1.05666833E-9 1.70331197E-12  -2.43649054E4   1.33502699E1                   4
NC5KET14O               H   9O   2C   5     G     300.0    5000.0  1323.0      1
    2.1122512E1   1.9083024E-2 -6.52403075E-6   1.0136831E-9-5.88793478E-14    2
  -3.11151636E4  -8.21812017E1   3.92095399E0  4.94038774E-2 -1.99599619E-5    3
 -1.05666833E-9 1.70331197E-12  -2.43649054E4   1.33502699E1                   4
NC5KET15O               H   9O   2C   5     G     300.0    5000.0  1489.0      1
   1.92273388E1   2.1134859E-2  -7.3208866E-6  1.14667396E-9-6.69507752E-14    2
  -2.85866827E4  -7.08964819E1   3.41522476E0  4.72023685E-2  -1.6645322E-5    3
  -2.3954881E-9 1.83814508E-12  -2.21147912E4   1.77035103E1                   4
NC5KET21O               H   9O   2C   5     G     300.0    5000.0  1669.0      1
   1.55374345E1  2.65967153E-2 -9.82520086E-6  1.61087197E-9-9.71864472E-14    2
  -2.96220202E4  -4.97983106E1   7.57725086E0  3.09672386E-2  2.94905694E-6    3
 -1.10969895E-8 3.01674992E-12  -2.56340563E4  -2.16720088E0                   4
NC5KET23O               H   9O   2C   5     G     300.0    5000.0  1383.0      1
   1.95245872E1  2.08858647E-2  -7.2325714E-6  1.13238277E-9-6.60902126E-14    2
  -3.34926354E4  -7.21145428E1   3.56460361E0  5.18213432E-2  -2.7033079E-5    3
  5.19426451E-9 1.69499746E-14  -2.73448675E4   1.58030522E1                   4
NC5KET24O               H   9O   2C   5     G     300.0    5000.0  1382.0      1
   1.87900628E1   2.1001024E-2 -7.16188369E-6  1.11001257E-9-6.43339326E-14    2
  -3.32898658E4  -6.78862933E1   4.40946289E0  4.75586902E-2 -2.19238261E-5    3
   2.4325049E-9 5.88504938E-13  -2.76535939E4    1.1739414E1                   4
NC5KET25O               H   9O   2C   5     G     300.0    5000.0  1433.0      1
   1.81303967E1  2.13611121E-2 -7.24506108E-6  1.11897303E-9-6.47006005E-14    2
  -3.16682816E4  -6.41505194E1   4.40785464E0  4.34772079E-2 -1.40284695E-5    3
 -3.02310104E-9 1.86768676E-12  -2.60265017E4   1.28766258E1                   4
NC5KET31O               H   9O   2C   5     G     300.0    5000.0  1426.0      1
    1.9241614E1  2.07624762E-2 -7.12773261E-6  1.11092657E-9-6.46775655E-14    2
  -3.25710561E4  -7.19638232E1   5.37524822E0  3.49659305E-2  3.67920037E-6    3
 -1.56750631E-8 4.84743343E-12  -2.61248405E4   8.64755527E0                   4
NC5KET32O               H   9O   2C   5     G     300.0    5000.0  1539.0      1
   1.90206162E1  2.10022758E-2 -7.20628551E-6  1.12155484E-9-6.51936687E-14    2
  -3.33553472E4  -6.97524186E1   4.55782533E0  4.55546283E-2 -1.73485031E-5    3
-9.24152417E-10 1.38889438E-12  -2.74919397E4   1.10596626E1                   4
NC5DIONE13              H   8O   2C   5     G     300.0    5000.0  1380.0      1
   1.81672199E1  1.95477748E-2 -6.78556722E-6  1.06428037E-9-6.21973311E-14    2
  -5.11134997E4  -6.80388452E1   1.16337913E0  5.32067868E-2 -2.90297512E-5    3
  5.99807535E-9-7.60467747E-14  -4.46714058E4   2.53180917E1                   4
NC5DIONE24              H   8O   2C   5     G     300.0    5000.0  1393.0      1
   1.63259547E1  2.07678096E-2 -7.12494176E-6  1.10833798E-9-6.43882952E-14    2
   -5.3836132E4  -5.71667682E1    1.2357385E0  5.44884679E-2 -3.57895292E-5    3
  1.21944125E-8-1.71810392E-12  -4.84057706E4   2.44807388E1                   4
OCH2CHO                 H   3O   2C   2     G     300.0    5000.0  1468.0      1
   9.83472746E0  7.77895515E-3 -2.78174926E-6 4.44911597E-10 -2.6353028E-14    2
  -1.50740413E4  -2.41644767E1   6.12784775E0  6.67998271E-3  1.00125301E-5    3
 -1.06887671E-8 2.76652784E-12  -1.28216539E4 -8.09763223E-1                   4
CH2OCH2CHO              H   5O   2C   3     G     300.0    5000.0  1386.0      1
   1.11192754E1    1.279129E-2 -4.35464414E-6 6.73922275E-10-3.90118722E-14    2
  -1.79694096E4  -2.74688068E1   4.09796526E0  2.50971166E-2 -1.04380487E-5    3
 6.95156168E-10 3.93228907E-13  -1.51203149E4   1.16942054E1                   4
C2H4OCHO                H   5O   2C   3     G     300.0    5000.0  1684.0      1
   1.22682078E1  1.37336751E-2 -5.06732537E-6 8.30265992E-10-5.00728023E-14    2
  -2.09125606E4  -3.56985038E1   3.11985293E0   3.1951412E-2 -1.67508873E-5    3
  3.25914973E-9-4.96818754E-14  -1.76239471E4   1.42845094E1                   4
C5H10OOH1-3OH           H  12O   3C   5     G     300.0    5000.0  1403.0      1
   2.31192753E1  2.59986683E-2 -8.82860426E-6   1.3639572E-9-7.88606733E-14    2
  -5.79892376E4  -8.81999105E1  3.54670341E-1    8.278254E-2 -6.38327513E-5    3
  2.58589986E-8-4.28053334E-12  -5.04620388E4   3.27492018E1                   4
C5H10OOH2-4OH           H  12O   3C   5     G     300.0    5000.0  1411.0      1
   2.35162773E1   2.5143599E-2 -8.42079438E-6   1.2886761E-9 -7.4010776E-14    2
   -5.9855761E4  -9.09142876E1  7.69420941E-1  8.47002755E-2 -6.89331076E-5    3
  2.93938563E-8-5.06044347E-12  -5.26556407E4   2.88739602E1                   4
C5H10OOH3-1OH           H  12O   3C   5     G     300.0    5000.0  1406.0      1
   2.38716811E1  2.53396515E-2 -8.59895412E-6  1.32803347E-9-7.67709894E-14    2
  -5.82703781E4  -9.26845624E1  7.53538721E-1  8.16716738E-2 -6.11918401E-5    3
  2.36490302E-8-3.69940856E-12  -5.05457936E4   3.05276339E1                   4
NC5CYCPER13             H  10O   3C   5     G     300.0    5000.0  1407.0      1
   2.41561308E1  2.24095731E-2 -7.74873939E-6  1.21233645E-9-7.07323367E-14    2
  -5.55344567E4  -1.03522127E2   -4.9945389E0  9.45988114E-2 -7.58465481E-5    3
  3.02152876E-8-4.76416624E-12  -4.59881161E4   5.13024248E1                   4
NC5CYCPER24             H  10O   3C   5     G     300.0    5000.0  1408.0      1
   2.22820691E1  2.33310062E-2 -7.91636135E-6  1.22269476E-9-7.06906786E-14    2
  -5.60698326E4  -9.35418515E1  -4.25869873E0  9.26924392E-2 -7.79864322E-5    3
  3.34971276E-8-5.74390775E-12  -4.76901635E4   4.62163973E1                   4
NC5CYCPER31             H  10O   3C   5     G     300.0    5000.0  1400.0      1
   2.20861156E1  2.39837041E-2 -8.24798762E-6  1.28546679E-9-7.47886437E-14    2
  -5.42162418E4  -9.20233359E1  -4.01647605E0  8.90855731E-2 -7.09557408E-5    3
  2.89246712E-8-4.75384108E-12   -4.5627432E4   4.65938612E1                   4
NC5H12                  H  12C   5          G     300.0    5000.0  1393.0      1
   1.58289132E1  2.59344752E-2 -8.83016276E-6  1.36654986E-9-7.91029283E-14    2
  -2.59397429E4  -6.05558457E1 -2.99551806E-1  5.94963054E-2 -3.41764359E-5    3
  9.47896058E-9-9.73675086E-13  -1.98959978E4   2.75742132E1                   4
C5H11-1                 H  11C   5          G     200.0    3000.0  1000.0      1
   5.08036766E0  4.17409958E-2 -1.97742761E-5  4.52634758E-9-4.06138571E-13    2
   3.28732133E3   3.29610641E0   6.88344353E0  4.09099461E-3  9.95760946E-5    3
 -1.32562895E-7 5.31796592E-11   4.08094039E3    1.1156803E0                   4
C5H11-2                 H  11C   5          G     200.0    3000.0  1000.0      1
   2.74596473E0  4.60224688E-2 -2.29262447E-5  5.57007195E-9-5.34357074E-13    2
   2.38140633E3   1.65054212E1   7.43069285E0 -3.43209366E-3  1.15810598E-4    3
  -1.4611029E-7  5.7178996E-11    2.5557649E3  3.62389169E-1                   4
C5H11-3                 H  11C   5          G     200.0    3000.0  1000.0      1
   3.12080073E0  4.48184271E-2 -2.18476337E-5  5.18563564E-9 -4.8649265E-13    2
   2.57057812E3   1.48280271E1   7.97484659E0 -5.57786874E-3   1.1824742E-4    3
 -1.46999478E-7 5.71458171E-11   2.73614528E3  -2.03347115E0                   4
AC5H9O-A2               H   9O   1C   5     G     300.0    5000.0  1364.0      1
   1.67516787E1  2.16463662E-2 -7.61269705E-6  1.20404408E-9-7.07632803E-14    2
   -3.9584836E3  -6.08201916E1   4.66263417E0  3.89775126E-2 -1.12815501E-5    3
 -2.66550677E-9 1.40115432E-12   1.47086581E3   8.21346271E0                   4
AC5H11O2H               H  12O   2C   5     G     300.0    5000.0  1397.0      1
   2.08513274E1   2.6081103E-2 -8.91735578E-6  1.38397232E-9-8.02716539E-14    2
  -3.77194279E4  -8.04522304E1 -4.76374815E-1  7.83789321E-2 -5.91712555E-5    3
  2.38263919E-8 -3.9773227E-12  -3.05087904E4   3.32977557E1                   4
BC5H11O2H               H  12O   2C   5     G     300.0    5000.0  1389.0      1
   2.07291068E1  2.60358698E-2 -8.86783077E-6  1.37263265E-9-7.94629195E-14    2
  -4.16991829E4  -8.29348605E1  7.48347855E-1  7.54437451E-2 -5.69961198E-5    3
  2.32342064E-8-3.94363492E-12  -3.49638594E4   2.35201019E1                   4
CC5H11O2H               H  12O   2C   5     G     300.0    5000.0  1406.0      1
   2.11504126E1  2.53098885E-2   -8.537039E-6  1.31271216E-9-7.56412244E-14    2
  -3.95275084E4  -8.32515675E1 -6.30156824E-3  8.01495977E-2 -6.42108793E-5    3
  2.73711292E-8-4.76268611E-12  -3.27129034E4   2.84639321E1                   4
DC5H11O2H               H  12O   2C   5     G     300.0    5000.0  1397.0      1
   2.08513274E1   2.6081103E-2 -8.91735578E-6  1.38397232E-9-8.02716539E-14    2
  -3.77194279E4   -8.1141712E1 -4.76374815E-1  7.83789321E-2 -5.91712555E-5    3
  2.38263919E-8 -3.9773227E-12  -3.05087904E4   3.26082741E1                   4
AC5H11O2                H  11O   2C   5     G     300.0    5000.0  1396.0      1
   1.98700905E1  2.47772405E-2 -8.46413614E-6  1.31283774E-9-7.61129402E-14    2
  -2.04831687E4  -7.43156588E1  3.54375282E-1  7.21758552E-2 -5.35556462E-5    3
  2.12668171E-8-3.51577739E-12  -1.38320365E4   2.99444593E1                   4
BC5H11O2                H  11O   2C   5     G     300.0    5000.0  1386.0      1
   1.97546009E1  2.47324523E-2 -8.41611775E-6  1.30187335E-9-7.53316999E-14    2
   -2.4467182E4   -7.6841419E1   1.53424363E0  6.94504944E-2 -5.16917529E-5    3
  2.08690207E-8 -3.5255251E-12  -1.82806722E4   2.03720098E1                   4
CC5H11O2                H  11O   2C   5     G     300.0    5000.0  1405.0      1
   2.02075561E1  2.39554458E-2 -8.06286681E-6  1.23797865E-9-7.12608001E-14    2
  -2.23074093E4  -7.73358025E1  7.15981794E-1  7.44249188E-2 -5.92758872E-5    3
  2.52115515E-8-4.38572885E-12  -1.60198108E4   2.56128856E1                   4
DC5H11O2                H  11O   2C   5     G     300.0    5000.0  1396.0      1
   1.98700905E1  2.47772405E-2 -8.46413614E-6  1.31283774E-9-7.61129402E-14    2
  -2.04831687E4  -7.50051405E1  3.54375282E-1  7.21758552E-2 -5.35556462E-5    3
  2.12668171E-8-3.51577739E-12  -1.38320365E4   2.92549776E1                   4
AC5H11O                 H  11O   1C   5     G     300.0    5000.0  1400.0      1
   1.82339413E1  2.37923987E-2 -8.07056384E-6  1.24592855E-9-7.19996103E-14    2
  -1.87450473E4  -6.87958505E1  8.43924842E-1  6.29723769E-2 -4.12079336E-5    3
  1.37396229E-8-1.84097585E-12  -1.25819035E4   2.50753974E1                   4
BC5H11O                 H  11O   1C   5     G     300.0    5000.0  1378.0      1
   1.85549393E1  2.44786662E-2  -8.5192688E-6  1.33803108E-9-7.82547188E-14    2
  -2.23664355E4  -7.33946136E1   3.67366095E0  5.17139422E-2 -2.49457898E-5    3
  4.54084943E-9-3.31184982E-14     -1.63228E4   9.40461313E0                   4
CC5H11O                 H  11O   1C   5     G     300.0    5000.0  1409.0      1
   1.83213656E1  2.35429297E-2  -7.9447046E-6  1.22205357E-9-7.04356618E-14    2
  -2.06340316E4  -7.05656058E1  6.91613929E-1  6.60697133E-2 -4.75285795E-5    3
  1.81072449E-8-2.84499699E-12  -1.46546569E4   2.36233979E1                   4
DC5H11O                 H  11O   1C   5     G     300.0    5000.0  1400.0      1
   1.82339413E1  2.37923987E-2 -8.07056384E-6  1.24592855E-9-7.19996103E-14    2
  -1.87450473E4  -6.94853322E1  8.43924842E-1  6.29723769E-2 -4.12079336E-5    3
  1.37396229E-8-1.84097585E-12  -1.25819035E4   2.43859158E1                   4
AC5H10OOH-A             H  11O   2C   5     G     300.0    5000.0  1398.0      1
    2.0275916E1  2.40402125E-2 -8.21726177E-6  1.27508622E-9 -7.3947043E-14    2
  -1.25890306E4   -7.4543254E1  -8.9396786E-2   7.4808341E-2 -5.79088207E-5    3
  2.38676428E-8-4.05836117E-12  -5.79120759E3   3.37720278E1                   4
AC5H10OOH-B             H  11O   2C   5     G     300.0    5000.0  1390.0      1
    1.9036205E1  2.51437855E-2 -8.60836129E-6   1.3371566E-9-7.76005723E-14    2
  -1.49721354E4  -6.67702235E1   3.65133886E0  5.70948447E-2 -3.30634881E-5    3
  9.52430167E-9-1.08604128E-12  -9.15524576E3   1.73958096E1                   4
AC5H10OOH-C             H  11O   2C   5     G     300.0    5000.0  1402.0      1
   1.94269993E1    2.451674E-2 -8.32902433E-6  1.28716724E-9-7.44370182E-14    2
   -1.3880871E4  -6.93043169E1   1.24166589E0  6.55076365E-2 -4.30153204E-5    3
  1.43717235E-8-1.92812556E-12  -7.43857517E3   2.88519661E1                   4
AC5H10OOH-D             H  11O   2C   5     G     300.0    5000.0  1398.0      1
    2.0275916E1  2.40402125E-2 -8.21726177E-6  1.27508622E-9 -7.3947043E-14    2
  -1.25890306E4   -7.4543254E1  -8.9396786E-2   7.4808341E-2 -5.79088207E-5    3
  2.38676428E-8-4.05836117E-12  -5.79120759E3   3.37720278E1                   4
BC5H10OOH-A             H  11O   2C   5     G     300.0    5000.0  1389.0      1
   2.03178088E1  2.39005589E-2 -8.14494395E-6  1.26119353E-9-7.30298864E-14    2
  -1.66270976E4   -7.7100885E1   1.67959171E0  7.03876561E-2 -5.38977495E-5    3
  2.22634984E-8 -3.8205282E-12  -1.03820042E4    2.2063405E1                   4
BC5H10OOH-C             H  11O   2C   5     G     300.0    5000.0  1390.0      1
   1.99231299E1  2.42352995E-2 -8.26025374E-6   1.2791715E-9-7.40756855E-14    2
  -1.78272692E4  -7.57847609E1   2.66396895E0  6.53351355E-2 -4.66109297E-5    3
  1.79783399E-8-2.91993271E-12  -1.18409318E4   1.67474134E1                   4
BC5H10OOH-D             H  11O   2C   5     G     300.0    5000.0  1389.0      1
   2.01548441E1  2.39990126E-2 -8.17021719E-6  1.26424565E-9-7.31718505E-14    2
  -1.65704721E4   -7.7035745E1   1.11609641E0  7.19622376E-2  -5.5867813E-5    3
  2.33617578E-8-4.04450304E-12   -1.0243479E4   2.40826139E1                   4
CC5H10OOH-A             H  11O   2C   5     G     300.0    5000.0  1407.0      1
   2.05911398E1  2.32493648E-2 -7.82909968E-6  1.20250807E-9-6.92366559E-14    2
   -1.4404728E4  -7.67476901E1  3.28493553E-1  7.68086128E-2 -6.32799786E-5    3
  2.76118292E-8-4.88689574E-12  -7.98741223E3   2.98696048E1                   4
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C5H9A-DOOH              H  10O   2C   5     G     300.0    5000.0  1393.0      1
   1.91192483E1  2.31083713E-2 -7.94263265E-6  1.23713692E-9-7.19377465E-14    2
  -2.31563003E4  -7.06976781E1  5.84051402E-1  6.61435369E-2 -4.64794214E-5    3
  1.71320929E-8 -2.6212907E-12  -1.66564666E4   2.90021482E1                   4
C5H9B-AOOH              H  10O   2C   5     G     300.0    5000.0  1385.0      1
   2.11330268E1  2.15086873E-2 -7.42113144E-6  1.15934717E-9-6.75687044E-14    2
  -2.35608139E4  -8.15040563E1  5.49656384E-1   7.0499031E-2 -5.27825801E-5    3
  2.06470792E-8-3.33664189E-12  -1.64635942E4   2.87891957E1                   4
C5H9B-DOOH              H  10O   2C   5     G     300.0    5000.0  1385.0      1
   2.11330268E1  2.15086873E-2 -7.42113144E-6  1.15934717E-9-6.75687044E-14    2
  -2.35608139E4  -8.15040563E1  5.49656384E-1   7.0499031E-2 -5.27825801E-5    3
  2.06470792E-8-3.33664189E-12  -1.64635942E4   2.87891957E1                   4
C5H9C-AOOH              H  10O   2C   5     G     300.0    5000.0  1396.0      1
   1.95116301E1   2.2772306E-2 -7.82629606E-6  1.21895173E-9-7.08783753E-14    2
  -2.27377278E4  -7.28224624E1 -1.33187657E-2  6.92568397E-2 -5.06647207E-5    3
  1.94153559E-8-3.06921462E-12  -1.60254301E4   3.17599798E1                   4
C5H9C-BOOH              H  10O   2C   5     G     300.0    5000.0  1393.0      1
   2.30088665E1  1.91355851E-2 -6.44358123E-6  9.9122512E-10-5.71817398E-14    2
  -2.66103173E4  -9.24108219E1  -1.04862343E0  8.26699722E-2  -7.1794194E-5    3
  3.18245309E-8-5.62912876E-12  -1.90383401E4   3.41116802E1                   4
C5H9OA-AOOH-B           H  10O   3C   5     G     300.0    5000.0  1421.0      1
   2.17927261E1  2.30720633E-2 -7.77386468E-6  1.19507605E-9-6.88699665E-14    2
  -3.96712246E4  -8.94813847E1  -5.49708925E0  9.47288852E-2 -8.00296268E-5    3
  3.42124943E-8-5.80022917E-12  -3.11441575E4   5.40078635E1                   4
C5H9OA-AOOH-C           H  10O   3C   5     G     300.0    5000.0  1426.0      1
   2.27244179E1  2.20779072E-2 -7.39099655E-6  1.13153303E-9-6.50287263E-14    2
  -3.78217375E4  -9.29947975E1  -6.41150803E0  9.94317564E-2 -8.58615548E-5    3
  3.70273302E-8-6.27783473E-12  -2.88551995E4   5.98124271E1                   4
C5H9OA-AOOH-D           H  10O   3C   5     G     300.0    5000.0  1411.0      1
   2.16522955E1  2.34455715E-2  -7.9566619E-6  1.22905457E-9-7.10634551E-14    2
  -3.55963177E4  -8.69264178E1  -8.39507263E0  1.05102811E-1 -9.37685656E-5    3
  4.22174145E-8-7.50607159E-12  -2.64325286E4   7.01690143E1                   4
C5H9OA-BOOH-A           H  10O   3C   5     G     300.0    5000.0  1417.0      1
   2.17022735E1  2.26119914E-2 -7.58981668E-6  1.16366327E-9 -6.6930813E-14    2
  -3.75365241E4  -8.49179287E1  -1.90416408E0  8.28866784E-2 -6.64998506E-5    3
  2.72221761E-8 -4.4471133E-12  -2.99886544E4   3.98116691E1                   4
C5H9OA-BOOH-C           H  10O   3C   5     G     300.0    5000.0  1417.0      1
   2.32822727E1  2.16339746E-2 -7.33435063E-6  1.13242966E-9 -6.5465529E-14    2
  -4.01984498E4  -9.51976254E1 -4.48273125E-1  7.90873425E-2  -5.9707986E-5    3
  2.24183926E-8-3.31048774E-12  -3.23280594E4   3.12502863E1                   4
C5H9OA-BOOH-D           H  10O   3C   5     G     300.0    5000.0  1417.0      1
   2.17022735E1  2.26119914E-2 -7.58981668E-6  1.16366327E-9 -6.6930813E-14    2
  -3.75365241E4  -8.49179287E1  -1.90416408E0  8.28866784E-2 -6.64998506E-5    3
  2.72221761E-8 -4.4471133E-12  -2.99886544E4   3.98116691E1                   4
C5H9OA-COOH-A           H  10O   3C   5     G     300.0    5000.0  1416.0      1
   2.19787258E1  2.27762232E-2 -7.64127053E-6  1.17119291E-9-6.73502124E-14    2
   -3.7940048E4  -8.78800726E1  -8.23567336E0  1.06958451E-1  -9.8017548E-5    3
  4.50653157E-8-8.12667607E-12  -2.89611267E4   6.93052953E1                   4
C5H9OA-COOH-B           H  10O   3C   5     G     300.0    5000.0  1427.0      1
   2.18581268E1  2.26582661E-2 -7.55183274E-6  1.15215111E-9-6.60356238E-14    2
  -4.18939906E4  -8.96205075E1  -6.82291569E0  1.03424198E-1 -9.51789693E-5    3
  4.41170689E-8-8.01854503E-12  -3.34508247E4   5.92928651E1                   4
C5H9OA-COOH-D           H  10O   3C   5     G     300.0    5000.0  1416.0      1
   2.19787258E1  2.27762232E-2 -7.64127053E-6  1.17119291E-9-6.73502124E-14    2
   -3.7940048E4  -8.78800726E1  -8.23567336E0  1.06958451E-1  -9.8017548E-5    3
  4.50653157E-8-8.12667607E-12  -2.89611267E4   6.93052953E1                   4
C5H9OA-DOOH-A           H  10O   3C   5     G     300.0    5000.0  1412.0      1
   2.10306351E1  2.43651936E-2 -8.26752696E-6  1.27699187E-9-7.38333381E-14    2
  -4.61055228E4  -8.36588979E1  -1.05445809E1  1.09794719E-1 -9.75108462E-5    3
  4.36190126E-8-7.70228936E-12  -3.64529482E4   8.15338458E1                   4
C5H9OA-DOOH-B           H  10O   3C   5     G     300.0    5000.0  1424.0      1
   2.09160528E1  2.42617893E-2 -8.18691855E-6  1.25968394E-9-7.26328496E-14    2
  -5.00500176E4  -8.54043566E1  -8.94627226E0  1.05725319E-1 -9.40624065E-5    3
  4.23682039E-8-7.53895269E-12  -4.09789989E4   7.06042654E1                   4
C5H9OA-DOOH-C           H  10O   3C   5     G     300.0    5000.0  1418.0      1
   2.17931949E1  2.35822973E-2 -7.96856856E-6   1.2273941E-9-7.08291072E-14    2
   -4.8248339E4  -8.87831309E1  -1.00859009E1  1.11154142E-1 -1.00718064E-4    3
   4.5740562E-8-8.16324506E-12  -3.86489157E4   7.75075179E1                   4
C5H9OB-COOH-A           H  10O   3C   5     G     300.0    5000.0  1427.0      1
   2.33660026E1  2.12967547E-2 -7.16311642E-6  1.10028483E-9-6.33839052E-14    2
  -4.02710909E4  -9.55650042E1  -2.03626914E0  8.44316222E-2 -6.63448448E-5    3
  2.58620472E-8-3.95367034E-12  -3.20450331E4   3.91516619E1                   4
C5H9OB-COOH-D           H  10O   3C   5     G     300.0    5000.0  1427.0      1
   2.33660026E1  2.12967547E-2 -7.16311642E-6  1.10028483E-9-6.33839052E-14    2
  -4.02710909E4  -9.62544859E1  -2.03626914E0  8.44316222E-2 -6.63448448E-5    3
  2.58620472E-8-3.95367034E-12  -3.20450331E4   3.84621803E1                   4
C5H9OB-DOOH-A           H  10O   3C   5     G     300.0    5000.0  1420.0      1
   2.09989877E1  2.35749161E-2 -7.91024357E-6  1.21256198E-9-6.97360491E-14    2
  -3.87964686E4  -8.27787933E1  -3.52560638E0  8.53243101E-2 -6.71300274E-5    3
  2.68114187E-8-4.26214321E-12  -3.08855835E4     4.708121E1                   4
C5H9OB-DOOH-C           H  10O   3C   5     G     300.0    5000.0  1416.0      1
   2.23010712E1  2.28353062E-2 -7.73563047E-6  1.19365671E-9-6.89722094E-14    2
  -4.13407064E4  -9.21482846E1  -3.01430534E0  8.55622233E-2 -6.67458085E-5    3
  2.61563238E-8-4.06382943E-12  -3.30739466E4   4.22585328E1                   4
C5H9OC-DOOH-A           H  10O   3C   5     G     300.0    5000.0  1424.0      1
   2.32181188E1  2.12380409E-2 -7.10087806E-6  1.08610144E-9-6.23742333E-14    2
  -3.68812122E4  -9.30381675E1  -4.71787956E0  9.63722654E-2 -8.44994419E-5    3
   3.7084959E-8-6.39906257E-12  -2.83656016E4   5.31581269E1                   4
C5H9OC-DOOH-B           H  10O   3C   5     G     300.0    5000.0  1424.0      1
    2.3159202E1  2.11055768E-2 -7.01494893E-6  1.06850406E-9-6.11803452E-14    2
  -4.08758474E4  -9.58608672E1  -3.31967698E0  9.28312807E-2 -8.14721652E-5    3
  3.59633071E-8-6.24713097E-12  -3.28520059E4   4.25342095E1                   4
CH3COCH2OCH2CH2         H   9O   2C   5     G     300.0    5000.0  1398.0      1
   1.61915801E1  2.17259962E-2 -7.18255818E-6  1.08967551E-9-6.22058703E-14    2
  -2.83312411E4  -5.06778787E1   2.46265398E0  5.31605978E-2 -3.44158813E-5    3
  1.17106545E-8-1.63587278E-12  -2.35149168E4   2.32544951E1                   4
IC5KETAA                H  10O   3C   5     G     300.0    5000.0  1396.0      1
   2.14062122E1  2.31814714E-2 -7.94585296E-6  1.23549697E-9-7.17602293E-14    2
  -4.77416322E4  -7.94699242E1   2.55453432E0  6.48725206E-2 -4.21449634E-5    3
  1.35396181E-8-1.69771989E-12  -4.09936393E4   2.25509833E1                   4
IC5KETAB                H  10O   3C   5     G     300.0    5000.0  1387.0      1
   2.54563544E1  2.01871439E-2 -7.02056943E-6   1.1029838E-9-6.45487927E-14    2
   -5.0866611E4  -1.03884759E2  -2.7664489E-1  8.19422293E-2 -6.36165752E-5    3
  2.46645924E-8-3.82375149E-12  -4.21788557E4   3.35972645E1                   4
IC5KETAC                H  10O   3C   5     G     300.0    5000.0  1530.0      1
   2.36202007E1  2.16574723E-2 -7.50493626E-6  1.17597427E-9-6.86855912E-14    2
  -5.08399014E4  -9.37964825E1    3.3836466E0  6.08702747E-2 -3.15372777E-5    3
  4.94036887E-9 4.82022927E-13   -4.3163856E4   1.74830999E1                   4
IC5KETAD                H  10O   3C   5     G     300.0    5000.0  1396.0      1
   2.14062122E1  2.31814714E-2 -7.94585296E-6  1.23549697E-9-7.17602293E-14    2
  -4.77416322E4  -7.94699242E1   2.55453432E0  6.48725206E-2 -4.21449634E-5    3
  1.35396181E-8-1.69771989E-12  -4.09936393E4   2.25509833E1                   4
IC5KETCA                H  10O   3C   5     G     300.0    5000.0  1403.0      1
   1.99169154E1  2.37975805E-2 -8.01511093E-6   1.2314006E-9-7.09187874E-14    2
   -5.1116936E4  -7.05780003E1   3.30504848E0   6.1221247E-2 -3.95733068E-5    3
  1.30417749E-8-1.72022312E-12  -4.52388966E4   1.90774795E1                   4
IC5KETCB                H  10O   3C   5     G     300.0    5000.0  1388.0      1
   2.43081284E1  2.03116947E-2 -6.88557448E-6  1.06413626E-9-6.15901378E-14    2
  -5.43890101E4    -9.762414E1  4.99341353E-1  7.79929244E-2 -6.02225926E-5    3
  2.34360987E-8-3.65044242E-12  -4.64243747E4   2.93525587E1                   4
IC5KETCD                H  10O   3C   5     G     300.0    5000.0  1394.0      1
   2.37898908E1  2.04031709E-2  -6.8416801E-6  1.04954951E-9-6.04313994E-14    2
  -5.08956742E4  -9.25390969E1 -2.83543507E-1  8.06299025E-2 -6.46191514E-5    3
  2.62468255E-8-4.26140982E-12   -4.3048617E4   3.51463538E1                   4
IC5KETDA                H  10O   3C   5     G     300.0    5000.0  1395.0      1
   2.23252658E1  2.23009872E-2 -7.62390887E-6  1.18364958E-9-6.86862585E-14    2
   -4.7995421E4  -8.50606082E1   1.31890291E0   7.0840807E-2 -4.98675222E-5    3
  1.76320223E-8-2.48535036E-12  -4.07142424E4   2.78334474E1                   4
IC5KETDB                H  10O   3C   5     G     300.0    5000.0  1381.0      1
   2.22545164E1  2.21858094E-2 -7.54539826E-6  1.16735178E-9-6.75734913E-14    2
  -5.19970461E4  -8.78431657E1   2.45036196E0  6.83213847E-2 -4.82822981E-5    3
  1.73840001E-8-2.52418883E-12  -4.51554184E4   1.84815016E1                   4
IC5KETDC                H  10O   3C   5     G     300.0    5000.0  1391.0      1
   2.57459735E1  1.95157132E-2 -6.70259887E-6   1.0449338E-9-6.08454008E-14    2
  -4.96555982E4  -1.04885682E2  -2.47013912E0  9.30872396E-2 -8.13203099E-5    3
  3.57768012E-8-6.26400503E-12  -4.06868372E4   4.38329357E1                   4
IC5KETAAO               H   9O   2C   5     G     300.0    5000.0  1670.0      1
   1.54491093E1  2.58830088E-2 -9.38194545E-6  1.51919963E-9-9.08764412E-14    2
  -2.73128942E4   -4.8934913E1   6.20340512E0  3.78488938E-2 -8.21632367E-6    3
 -4.45998794E-9  1.6910444E-12  -2.33706795E4   3.88282175E0                   4
IC5KETABO               H   9O   2C   5     G     300.0    5000.0  1680.0      1
   1.74003757E1  2.43634015E-2 -8.89217693E-6   1.4467295E-9-8.68336325E-14    2
  -2.96359315E4  -6.26150618E1   2.44492593E0   5.3998822E-2 -2.76353434E-5    3
  5.14986988E-9-2.28548561E-14  -2.42538749E4   1.91347808E1                   4
IC5KETACO               H   9O   2C   5     G     300.0    5000.0  1405.0      1
    1.8775982E1  2.09363794E-2 -7.11851372E-6  1.10072541E-9-6.36812526E-14    2
   -3.1056092E4  -6.84256552E1   3.17102493E0  5.52252992E-2 -3.48045866E-5    3
  1.07470812E-8-1.26264879E-12  -2.54634549E4   1.60763592E1                   4
IC5KETADO               H   9O   2C   5     G     300.0    5000.0  1670.0      1
   1.54491093E1  2.58830088E-2 -9.38194545E-6  1.51919963E-9-9.08764412E-14    2
  -2.73128942E4   -4.8934913E1   6.20340512E0  3.78488938E-2 -8.21632367E-6    3
 -4.45998794E-9  1.6910444E-12  -2.33706795E4   3.88282175E0                   4
IC5KETCAO               H   9O   2C   5     G     300.0    5000.0  1514.0      1
   1.72485932E1  2.16326796E-2 -7.22890702E-6  1.10467817E-9-6.33813429E-14    2
  -3.21371394E4   -5.8664329E1   4.75737279E0  4.52905574E-2  -2.0952073E-5    3
  2.65371883E-9 4.60703138E-13  -2.73333149E4   1.02325004E1                   4
IC5KETCBO               H   9O   2C   5     G     300.0    5000.0  1510.0      1
   1.93742496E1  2.06425485E-2 -7.06983683E-6  1.09902869E-9-6.38342204E-14    2
  -3.47003768E4  -7.43848166E1   4.60922258E0  4.63105317E-2 -1.85546802E-5    3
-2.86158793E-10 1.27532426E-12  -2.87895902E4   7.87701574E0                   4
IC5KETCDO               H   9O   2C   5     G     300.0    5000.0  1489.0      1
   1.78986194E1  2.13374499E-2 -7.19313241E-6  1.10668165E-9-6.38266549E-14    2
  -3.16063716E4  -6.33320448E1   7.66113508E0  3.31212888E-2 -2.76253288E-6    3
 -8.32131128E-9 2.78275744E-12  -2.68823428E4  -4.11946991E0                   4
IC5KETDAO               H   9O   2C   5     G     300.0    5000.0  1485.0      1
    1.9583565E1  2.02788959E-2 -6.90312559E-6  1.06869517E-9-6.18931202E-14    2
  -2.89934666E4  -7.27514739E1   2.77854914E0  5.49042648E-2 -3.12957279E-5    3
  7.33340136E-9-3.35699979E-13  -2.28103088E4    1.8949965E1                   4
IC5KETDBO               H   9O   2C   5     G     300.0    5000.0  1519.0      1
     2.006692E1  2.02402238E-2 -6.97500713E-6   1.0890229E-9-6.34524956E-14    2
  -3.25858999E4  -7.80517736E1    5.2102834E0  4.44018385E-2 -1.51327339E-5    3
 -2.59536762E-9 1.79445594E-12   -2.6463977E4   5.32661738E0                   4
IC5KETDCO               H   9O   2C   5     G     300.0    5000.0  1385.0      1
   2.06749614E1  2.01791491E-2 -7.04935407E-6  1.11015087E-9-6.50552099E-14    2
  -3.08738095E4  -8.00272702E1   1.74667514E0  6.15641942E-2 -4.06488995E-5    3
  1.31250854E-8-1.65755406E-12  -2.40252952E4   2.26218438E1                   4
AC5H10OH                H  11O   1C   5     G     300.0    5000.0  1396.0      1
   1.64350382E1   2.4873226E-2 -8.43959366E-6   1.3032247E-9-7.53261177E-14    2
  -2.28956938E4  -5.51681478E1   1.23496772E0  5.48298602E-2 -2.85379159E-5    3
  6.14801654E-9-2.41162327E-13  -1.70643706E4   2.84296007E1                   4
BC5H10OH                H  11O   1C   5     G     300.0    5000.0  1384.0      1
   1.69551854E1  2.50397308E-2 -8.62897621E-6  1.34632322E-9  -7.837702E-14    2
  -2.52556374E4  -6.12549178E1   2.16094248E0  5.26897228E-2 -2.56800949E-5    3
  4.72180512E-9-1.32098054E-14  -1.93564411E4   2.07680728E1                   4
CC5H10OH                H  11O   1C   5     G     300.0    5000.0  1408.0      1
   1.76376123E1  2.33184854E-2 -7.78464125E-6  1.18857749E-9-6.81463457E-14    2
  -2.21964329E4  -6.38737345E1  -1.66278849E0  7.47656913E-2 -6.14804272E-5    3
  2.69357912E-8-4.78920793E-12  -1.61297989E4   3.75225406E1                   4
AO2C5H10OH              H  11O   3C   5     G     300.0    5000.0  1391.0      1
   2.19522107E1  2.48781991E-2 -8.44297007E-6  1.30371698E-9-7.53469325E-14    2
  -4.34404184E4  -8.34515565E1   1.20882689E0  7.78602587E-2 -6.16377315E-5    3
  2.60506873E-8-4.52025263E-12  -3.66524607E4   2.64078764E1                   4
BO2C5H10OH              H  11O   3C   5     G     300.0    5000.0  1395.0      1
   2.28865971E1  2.40778073E-2 -8.16957904E-6  1.26165301E-9-7.29326115E-14    2
  -4.48764864E4  -8.92415513E1   2.71004906E0  7.28069687E-2 -5.37414655E-5    3
  2.08815586E-8-3.34176454E-12    -3.802765E4   1.85552934E1                   4
CO2C5H10OH              H  11O   3C   5     G     300.0    5000.0  1406.0      1
   2.22413769E1  2.43138793E-2 -8.17987283E-6  1.25568258E-9-7.22730962E-14    2
  -4.13059915E4  -8.36980772E1  -1.3959852E-1   8.3973294E-2 -7.03813054E-5    3
    3.103275E-8-5.52297544E-12  -3.42801244E4   3.38677944E1                   4
IC3H5COCH3              H   8O   1C   5     G     300.0    5000.0  1392.0      1
   1.49935813E1  1.97788403E-2 -6.78313207E-6   1.0548123E-9-6.12614698E-14    2
  -2.60877929E4  -5.26202086E1   1.54292407E0    5.054323E-2 -3.42434122E-5    3
  1.25252368E-8-1.95302231E-12  -2.12702785E4   1.99855884E1                   4
IC3H5COCH2              H   7O   1C   5     G     300.0    5000.0  1394.0      1
   1.62814836E1  1.63492954E-2 -5.64820836E-6 8.82756224E-10-5.14522209E-14    2
  -4.28650692E3  -5.91075528E1   1.42097745E0  5.34336638E-2 -4.21903633E-5    3
  1.76937615E-8 -3.0607529E-12    6.9108298E2    1.9952206E1                   4
AC3H4COCH3              H   7O   1C   5     G     300.0    5000.0  1384.0      1
   1.60405803E1  1.62938876E-2  -5.4927504E-6  8.4544204E-10-4.87866397E-14    2
  -8.30972832E3  -5.83003416E1  9.48806278E-1  5.17869173E-2  -3.7486762E-5    3
  1.40294881E-8-2.14698694E-12  -3.10553556E3   2.26479362E1                   4
IC5H12                  H  12C   5          G     300.0    5000.0  1397.0      1
   1.58024165E1  2.58962455E-2 -8.80211277E-6  1.36051024E-9-7.86804753E-14    2
    -2.648767E4  -6.08691324E1  -1.61700908E0  6.68962508E-2  -4.6539479E-5    3
  1.75637406E-8-2.80513304E-12  -2.03922408E4   3.27016966E1                   4
AC5H11                  H  11C   5          G     200.0    3000.0  1000.0      1
   5.08406032E0  4.21379229E-2 -2.03412961E-5  4.79474664E-9-4.47755102E-13    2
   2.72454719E3   2.40747107E0    4.9492856E0  1.81073731E-2  6.68860873E-5    3
 -1.00235748E-7 4.15206813E-11   3.66273889E3     8.273376E0                   4
BC5H11                  H  11C   5          G     200.0    3000.0  1000.0      1
   2.59577842E0  4.51506324E-2 -2.17595407E-5  5.07313884E-9-4.64601159E-13    2
   1.04704699E3   1.64413201E1   9.66169151E0 -2.02193129E-2  1.53098529E-4    3
 -1.81343515E-7 6.93980157E-11   1.01172352E3  -9.75413731E0                   4
CC5H11                  H  11C   5          G     200.0    3000.0  1000.0      1
    4.3062824E0  4.27347483E-2 -2.03817528E-5  4.71595987E-9-4.29456661E-13    2
   1.49455395E3   6.60868582E0   7.23169554E0  1.43721119E-3    1.028738E-4    3
 -1.33451945E-7 5.28550187E-11   2.01780601E3  -1.19474241E0                   4
DC5H11                  H  11C   5          G     200.0    3000.0  1000.0      1
   5.46744191E0  4.17341051E-2 -2.01273602E-5  4.73013658E-9 -4.3933191E-13    2
   2.20913086E3 -6.36702237E-1   5.74610757E0  1.41279554E-2  7.68277838E-5    3
 -1.10963748E-7  4.5626893E-11   3.12538493E3   3.61499326E0                   4
NEOC5H11O2H             H  12O   2C   5     G     300.0    5000.0  2019.0      1
   2.01975284E1  2.97380281E-2 -1.09930813E-5  1.80338361E-9-1.08851734E-13    2
  -3.95165952E4  -8.23753662E1  3.55225748E-1  6.91131421E-2 -3.61242956E-5    3
  6.97537323E-9-9.54855674E-14  -3.23388889E4    2.6110934E1                   4
NEOC5H11O2              H  11O   2C   5     G     300.0    5000.0  1682.0      1
   1.93713105E1  2.82612571E-2  -1.0467011E-5  1.71917414E-9-1.03854375E-13    2
  -2.23544131E4  -7.71662358E1   1.08144664E0  6.33534647E-2 -3.11938784E-5    3
  4.88883786E-9 2.48584189E-13  -1.56455031E4   2.32475108E1                   4
NEOC5H11O               H  11O   1C   5     G     300.0    5000.0  1374.0      1
   1.47920426E1  3.60239861E-2 -1.44548775E-5  2.47285304E-9-1.52828569E-13    2
  -2.12880602E4  -5.86605592E1   1.11399567E1  9.95551445E-3  4.37547263E-5    3
 -3.60663886E-8 8.13722634E-12  -1.57739963E4  -2.54644054E1                   4
NEOC5H10OOH             H  11O   2C   5     G     300.0    5000.0  1686.0      1
   1.98216577E1  2.74351153E-2   -1.017638E-5  1.67311287E-9-1.01142157E-13    2
  -1.44846637E4  -7.65499851E1  7.26388728E-1  6.54763558E-2 -3.46433563E-5    3
  6.82220142E-9-1.22217205E-13  -7.61522056E3   2.77840799E1                   4
NEO-C5H10O              H  10O   1C   5     G     300.0    5000.0  1465.0      1
   1.88696363E1  2.18446364E-2 -7.48656898E-6   1.1657418E-9-6.78305009E-14    2
  -2.76538327E4  -8.33848438E1  -5.80125483E0  7.19986445E-2 -4.12060995E-5    3
  8.52947622E-9 2.15532151E-14  -1.85918283E4   5.13449073E1                   4
NEOC5H10OOH-O2          H  11O   4C   5     G     300.0    5000.0  2038.0      1
   2.43460937E1  2.84840536E-2 -1.05961421E-5  1.74545495E-9-1.05654571E-13    2
  -3.35348323E4  -9.58566184E1   2.12490773E0    7.515481E-2 -4.39349794E-5    3
  1.09212325E-8-8.06703541E-13  -2.57458785E4    2.4716526E1                   4
NEOC5H9Q2               H  11O   4C   5     G     300.0    5000.0  2050.0      1
   2.48112747E1  2.76461534E-2 -1.03017544E-5   1.6988489E-9-1.02912689E-13    2
  -2.56663214E4  -9.64118626E1   1.90419491E0  7.68023849E-2 -4.67666506E-5    3
  1.25175307E-8-1.11211508E-12  -1.77393477E4   2.75076242E1                   4
NEOC5KET                H  10O   3C   5     G     300.0    5000.0  1396.0      1
   2.11457411E1  2.34263362E-2 -8.03514708E-6  1.24990645E-9-7.26173329E-14    2
  -4.99812693E4  -8.04502172E1   1.99299705E0  6.63799852E-2 -4.41434233E-5    3
  1.47656228E-8-1.97164356E-12  -4.31727732E4   2.30090729E1                   4
NEOC5KETOX              H   9O   2C   5     G     300.0    5000.0  1677.0      1
   1.62834087E1  2.47667618E-2 -8.89982283E-6  1.43325482E-9-8.54232652E-14    2
  -2.99100005E4  -5.60198008E1   3.76958673E0  4.84037082E-2 -2.22215659E-5    3
   2.9825147E-9  2.9806495E-13   -2.5299397E4   1.27918996E1                   4
NEOC5KEJOL              H   9O   2C   5     G     300.0    5000.0  1402.0      1
   1.78858167E1  2.12423369E-2 -7.21947714E-6  1.11609095E-9-6.45625691E-14    2
  -3.87680922E4  -6.36233643E1   1.30298806E0  5.84132694E-2 -3.81961088E-5    3
  1.24622441E-8-1.59437417E-12  -3.28976593E4   2.59154966E1                   4
IC4H6Q2-II              H   8O   4C   4     G     300.0    5000.0  1386.0      1
   2.50360805E1  1.60230197E-2 -5.70704966E-6 9.10412038E-10-5.38294659E-14    2
  -2.84196401E4  -9.67186452E1  2.16408482E-1  8.25572149E-2 -7.64540445E-5    3
  3.58211787E-8-6.67718658E-12  -2.05694845E4   3.36943223E1                   4
NEOC5H9O-OOH            H  10O   3C   5     G     300.0    5000.0  1429.0      1
   2.34301312E1    2.264738E-2 -7.84730788E-6  1.22994662E-9-7.18633905E-14    2
  -3.86378493E4  -1.00093171E2  -4.33879286E0  8.23095013E-2 -5.24634537E-5    3
  1.40859094E-8-1.00626405E-12  -2.87630624E4   5.04065995E1                   4
NEOC5H12                H  12C   5          G     300.0    5000.0  1459.0      1
   2.13410465E1  2.32500105E-2 -8.36387815E-6  1.34306692E-9-7.97752777E-14    2
  -3.18056043E4  -1.00649903E2  8.60482114E-1  4.63444251E-2  2.26557531E-6    3
 -1.91739545E-8  6.0729152E-12  -2.24020628E4    1.7823595E1                   4
NEOC5H11                H  11C   5          G     300.0    5000.0  1375.0      1
   1.17983312E1  3.59579648E-2 -1.44108662E-5  2.46307665E-9-1.52118262E-13    2
  -3.86101387E3  -4.41297337E1   9.68072098E0  7.07718151E-3  4.53301778E-5    3
 -3.61952123E-8 8.06654396E-12   1.05116941E3  -1.94358274E1                   4
C5H81-2                 H   8C   5          G     200.0    3000.0  1000.0      1
   4.64348492E0  3.43849985E-2 -1.68140472E-5  4.00773292E-9 -3.7732162E-13    2
   1.39041715E4   3.35216937E0   5.71236212E0  8.93701088E-3  6.58093976E-5    3
 -9.19674851E-8 3.73535619E-11   1.44657677E4    2.6639109E0                   4
C5H81-3                 H   8C   5          G     200.0    3000.0  1000.0      1
    6.8396737E0  3.12295067E-2  -1.4913234E-5  3.47246715E-9-3.19638795E-13    2
   5.58219016E3  -1.05913717E1   4.04984587E0  1.50138236E-2  6.82395372E-5    3
 -1.07020603E-7 4.60261713E-11   7.11637471E3   8.56394457E0                   4
C5H8OH13-2O2            H   9O   3C   5     G     300.0    5000.0  1404.0      1
   1.96180007E1  2.20998529E-2  -7.4681667E-6  1.15011137E-9-6.63526404E-14    2
  -2.45746425E4  -6.67453703E1   1.87753744E0  6.34054943E-2 -4.38224209E-5    3
  1.55133047E-8-2.21315366E-12   -1.8450704E4   2.84941087E1                   4
C5H83OOH2-1O            H   9O   3C   5     G     300.0    5000.0  1411.0      1
   2.06925227E1  2.14138646E-2 -7.28149377E-6  1.12616482E-9-6.51681078E-14    2
  -1.50486584E4  -7.34239559E1   4.04273046E0  5.65279958E-2 -3.33234001E-5    3
  8.73699281E-9-6.77987084E-13  -8.98138427E3   1.71794004E1                   4
C5H8D14                 H   8C   5          G     200.0    3000.0  1000.0      1
   4.62582074E0  3.40878566E-2 -1.64583391E-5  3.86075298E-9-3.56864733E-13    2
   9.65264295E3   3.18383391E0   5.28538772E0  9.02478938E-3  6.74295537E-5    3
 -9.42123503E-8  3.8231846E-11   1.03625123E4   4.79068416E0                   4
C5H82-3                 H   8C   5          G     200.0    3000.0  1000.0      1
   3.89235191E0  3.51432627E-2 -1.70608744E-5  4.01911173E-9-3.72675201E-13    2
   1.31635741E4   7.63971228E0   6.47289995E0  4.62100238E-3  6.95992428E-5    3
 -9.03978685E-8 3.53259001E-11   1.34219805E4 -4.46197388E-1                   4
C5H8-1                  H   8C   5          G     200.0    3000.0  1000.0      1
   5.43543877E0  3.30341711E-2 -1.58717011E-5  3.70583385E-9-3.41004265E-13    2
   1.40358116E4    -1.241353E0   3.71837234E0  2.23012845E-2   3.7280173E-5    3
 -6.60052789E-8 2.86681872E-11   1.50279698E4   1.07614107E1                   4
C5H8-2                  H   8C   5          G     200.0    3000.0  1000.0      1
   4.13150249E0  3.55276772E-2 -1.73157909E-5   4.1004648E-9-3.82720841E-13    2
   1.24107008E4   6.93865723E0   6.04096763E0  8.61887858E-3  6.27338967E-5    3
 -8.53015032E-8  3.3968893E-11    1.2752575E4   1.84524671E0                   4
CH3CYC3H3CH3-3          H   9C   5          G     200.0    3000.0  1000.0      1
   4.18593807E0  3.80585349E-2  -1.8447433E-5  4.33452267E-9-4.00354785E-13    2
   2.48438858E4   2.99248355E0   5.44596539E0  4.79409129E-3  8.91045953E-5    3
 -1.19443874E-7 4.78304305E-11   2.56638465E4   2.97872202E0                   4
CH3CYC3H3CH3            H   9C   5          G     200.0    3000.0  1000.0      1
   3.83359167E0  3.87421725E-2 -1.89529862E-5  4.50572129E-9-4.22323145E-13    2
   2.32546733E4   6.63919144E0   5.97920638E0  4.14855018E-4  9.94320184E-5    3
 -1.29505807E-7 5.13859038E-11   2.39522859E4   2.67107816E0                   4
CH2CYC3H4CH3            H   9C   5          G     200.0    3000.0  1000.0      1
   5.88150228E0   3.5617505E-2 -1.70887764E-5  3.99851847E-9-3.69824285E-13    2
   1.85205381E4  -4.78909316E0   3.13920534E0  2.47916518E-2  4.49228226E-5    3
  -7.9573436E-8 3.47586812E-11   1.98725161E4   1.30492684E1                   4
CYC3H4C2H5-1            H   9C   5          G     200.0    3000.0  1000.0      1
   4.51905853E0  3.77033279E-2 -1.82851876E-5  4.30421038E-9 -3.9912528E-13    2
   2.39957274E4   4.05868298E0   5.67982921E0  1.16688962E-3  1.02666407E-4    3
 -1.36756098E-7 5.50852561E-11   2.49541785E4   5.25001164E0                   4
CYC3H4C2H5-2            H   9C   5          G     200.0    3000.0  1000.0      1
   5.57500334E0  3.62586952E-2 -1.74749733E-5   4.0946255E-9-3.78526221E-13    2
   2.50213557E4  -2.68633492E0    3.8847873E0  1.37172566E-2  7.77824297E-5    3
 -1.16058007E-7 4.87483585E-11   2.64426046E4   1.16711574E1                   4
CYC3H5CHCH3             H   9C   5          G     200.0    3000.0  1000.0      1
   3.84172241E0  3.90356382E-2 -1.94156469E-5  4.72063177E-9-4.53941919E-13    2
   1.93106623E4   7.74588244E0   4.77241034E0  3.63841604E-3   1.0025573E-4    3
 -1.36267903E-7 5.53297495E-11   2.02785217E4   9.92870678E0                   4
CYC4H6-2-CH3            H   9C   5          G     200.0    3000.0  1000.0      1
    4.3027562E0  3.91504819E-2 -1.93282619E-5  4.62906668E-9-4.36118582E-13    2
   2.00449661E4   2.64466797E0   4.47165391E0  4.48910564E-3  1.03310435E-4    3
 -1.41769187E-7 5.78159164E-11   2.12763472E4   9.05640062E0                   4
CYC4H6-3-CH3            H   9C   5          G     200.0    3000.0  1000.0      1
   4.42085895E0  3.90582211E-2 -1.92884961E-5  4.62015303E-9 -4.3542631E-13    2
   1.98296891E4   1.37284758E0   4.36816442E0  4.67264504E-3  1.04149257E-4    3
 -1.43410832E-7  5.8596076E-11   2.11306997E4   8.98933394E0                   4
CYC5H9                  H   9C   5          G     298.0    5000.0 1395.31      1
   6.89653674E0  3.29606477E-2 -1.37499396E-5  2.61118751E-9 -1.8524588E-13    2
   8.97770745E3  -1.52147813E1  -7.61748974E0  7.54251668E-2 -6.06647437E-5    3
  2.59450588E-8-4.61382247E-12   1.29472597E4   5.93647984E1                   4
CH2CYC3H3CH3            H   8C   5          G     200.0    3000.0  1000.0      1
   4.66392031E0  3.49633314E-2 -1.70741376E-5  4.05073501E-9-3.78465356E-13    2
   1.61909501E4  3.61149306E-1    3.0511053E0  1.74641523E-2  5.88784494E-5    3
 -9.20823765E-8 3.89140532E-11   1.74105997E4    1.3246207E1                   4
CYC3H3-1C2H5            H   8C   5          G     200.0    3000.0  1000.0      1
   3.76878236E0  3.60603652E-2 -1.80519905E-5  4.41837395E-9-4.28153753E-13    2
   2.33690153E4    7.2159109E0   5.72857923E0  1.95405229E-3  8.81525829E-5    3
 -1.16898543E-7 4.68307058E-11   2.39383077E4   3.30639737E0                   4
CYC3H3-3C2H5            H   8C   5          G     200.0    3000.0  1000.0      1
   4.83014953E0  3.42385844E-2 -1.67551928E-5  3.99578192E-9-3.76651663E-13    2
   2.46865296E4   1.70901721E0   3.84942708E0  1.46948816E-2  6.12596085E-5    3
 -9.25767175E-8 3.87054717E-11   2.57608698E4   1.14402122E1                   4
CYC3H4CHCH3             H   8C   5          G     200.0    3000.0  1000.0      1
   4.22502724E0  3.55268326E-2   -1.738267E-5   4.1331013E-9-3.87210901E-13    2
   1.60867014E4    2.3414089E0   4.55662587E0  5.79259265E-3  8.58843028E-5    3
 -1.18150238E-7 4.80317972E-11   1.70869317E4    6.8079214E0                   4
CYC3H5CHCH2             H   8C   5          G     200.0    3000.0  1000.0      1
   4.89638198E0  3.43772033E-2 -1.66543636E-5  3.92614967E-9-3.65195595E-13    2
   1.16993632E4 -4.47531518E-1   5.41743271E0  2.01440702E-3  9.40935901E-5    3
 -1.26253625E-7 5.09083715E-11   1.27339565E4   3.51686362E0                   4
C5H7-13-2               H   7C   5          G     200.0    3000.0  1000.0      1
   5.46013952E0  3.09922767E-2 -1.52407882E-5  3.64465682E-9   -3.43528E-13    2
   3.06953951E4  -1.10765621E0   4.48621778E0  1.87295094E-2  3.62694754E-5    3
 -6.07569532E-8 2.57845074E-11    3.1505408E4   7.06278679E0                   4
C5H7-13-3               H   7C   5          G     200.0    3000.0  1000.0      1
    5.7227355E0  3.01851468E-2 -1.45368606E-5   3.3921187E-9-3.11099727E-13    2
    3.0986557E4  -2.42713683E0   4.19435761E0  1.94803565E-2  3.56919961E-5    3
 -6.09873391E-8 2.60726694E-11   3.19424884E4   8.58476245E0                   4
CVCCJCVC                H   7C   5          G     200.0    3000.0  1000.0      1
   5.86851076E0  3.08634054E-2 -1.50886736E-5  3.59004361E-9-3.36867228E-13    2
   2.06538155E4  -6.26163911E0   2.85573896E0   1.9846387E-2  4.89861925E-5    3
 -8.24914232E-8 3.56995236E-11   2.21298963E4    1.3214161E1                   4
C5H7-14-1               H   7C   5          G     200.0    3000.0  1000.0      1
   5.57502457E0  3.00860935E-2 -1.47413716E-5  3.52436964E-9-3.32990916E-13    2
   3.91270234E4  3.17374896E-1    4.5880744E0  1.77508472E-2  3.74788593E-5    3
 -6.20787698E-8 2.63721141E-11   3.99346169E4   8.55155292E0                   4
C5H7-14-1O2             H   7O   2C   5     G     100.0    5000.0 1055.84      1
   1.33339782E1  2.30087817E-2 -8.72859209E-6  1.56914009E-9-1.08105988E-13    2
   1.56298397E4  -3.51911745E1   1.07314642E0  5.67133235E-2 -3.85050187E-5    3
  8.93750687E-9 8.54262791E-13   1.89293383E4   2.79906351E1                   4
CVCCVCCOJ               H   7O   1C   5     G     300.0    5000.0  1665.0      1
   1.84798895E1  1.69205741E-2 -6.38125084E-6  1.06059607E-9-6.45951684E-14    2
   1.03312927E4  -7.29016935E1   1.90894428E0  5.19545086E-2 -3.14520834E-5    3
  7.88109403E-9-5.51243426E-13   1.60756909E4   1.68752049E1                   4
CVCCVCCOO               H   8O   2C   5     G     300.0    5000.0  1407.0      1
   1.97014187E1  1.74498816E-2 -5.88564251E-6 9.05410614E-10-5.22009221E-14    2
  -7.79101446E3  -7.34775134E1  -2.29214376E0  7.84173713E-2 -7.14623941E-5    3
  3.29890494E-8-6.00608537E-12   -1.1761257E3   4.11318745E1                   4
CVCCVCCVO               H   6O   1C   5     G     300.0    5000.0  1395.0      1
    1.6268299E1  1.43327751E-2 -4.97440692E-6 7.79901086E-10 -4.5558768E-14    2
  -1.07808971E4  -6.04089377E1  -1.68197134E0  6.60378564E-2  -6.5507948E-5    3
  3.43065232E-8-7.27907398E-12    -5.371738E3   3.28440452E1                   4
CVCC(OJ)CVC             H   7O   1C   5     G     300.0    5000.0  1683.0      1
   1.73416264E1  2.27019148E-2 -9.67982933E-6  1.73070741E-9-1.10484606E-13    2
   1.07362546E4  -6.93078801E1   1.08557866E1  1.36153694E-2  2.55063284E-5    3
 -2.43031286E-8 5.65047483E-12   1.52685889E4  -2.58550326E1                   4
CVCC(OO)CVC             H   8O   2C   5     G     298.0    5000.0 1409.58      1
   1.35788679E1  2.83332124E-2 -1.19841277E-5  2.29641247E-9-1.63907461E-13    2
  -8.66740451E2  -3.86049843E1   1.20025536E0   6.6405105E-2 -5.67468243E-5    3
  2.61978267E-8-5.04966199E-12   2.39622558E3   2.44657338E1                   4
C5H9O1-3                H   9O   1C   5     G     300.0    5000.0  1410.0      1
    1.7015929E1  1.99601639E-2 -6.70700016E-6  1.02886842E-9-5.91938016E-14    2
  -4.21738235E3  -6.14046081E1   2.45310693E0  5.25270826E-2  -3.3550602E-5    3
  1.06156518E-8-1.28945649E-12   9.24132016E2   1.72176744E1                   4
C5H9O2-1                H   9O   1C   5     G     300.0    5000.0  1475.0      1
   2.23842351E1   1.7364609E-2 -6.25665509E-6  1.00576087E-9-5.97844843E-14    2
  -5.43575175E3  -9.51141327E1   3.23639358E0  4.73206072E-2 -1.39196825E-5    3
 -5.92408707E-9 2.87110459E-12   2.52564124E3   1.26917806E1                   4
C5H9O2-4                H   9O   1C   5     G     300.0    5000.0  1407.0      1
   1.62392024E1  2.06163491E-2 -6.93203743E-6  1.06381647E-9-6.12201833E-14    2
  -5.09957939E3  -5.74137607E1   2.73688691E0  4.91498151E-2 -2.84055838E-5    3
   7.6217358E-9-6.73709304E-13  -1.57394756E2   1.60872362E1                   4
C5H91-1O2               H   9O   2C   5     G     300.0    5000.0  1395.0      1
   1.97091859E1  2.05012319E-2 -7.04812188E-6  1.09809115E-9-6.38675351E-14    2
  -5.14304415E3  -7.29172944E1   1.65319286E0  6.27924203E-2 -4.50282313E-5    3
  1.66848477E-8-2.53104389E-12   1.11342147E3   2.40100658E1                   4
C5H91-2O2               H   9O   2C   5     G     300.0    5000.0  1410.0      1
   1.76459095E1  2.02890674E-2 -6.55903595E-6 9.79834775E-10-5.53279763E-14    2
   -6.7702615E3  -5.93209227E1   1.63216207E0  6.14801794E-2  -4.7297691E-5    3
  1.92848649E-8-3.18907367E-12  -1.66534089E3   2.52092937E1                   4
C5H91-3O2               H   9O   2C   5     G     300.0    5000.0  1400.0      1
   1.80833628E1  2.14507648E-2 -7.27996039E-6  1.12428772E-9-6.49877372E-14    2
  -4.67175613E3  -6.27892157E1   2.01030677E0  5.80659419E-2 -3.87799974E-5    3
  1.32968323E-8-1.84795665E-12   9.87017739E2     2.383499E1                   4
C5H91-4O2               H   9O   2C   5     G     300.0    5000.0  1406.0      1
    1.8729982E1  2.05857431E-2 -6.91180037E-6  1.05955777E-9 -6.0924861E-14    2
  -5.84847027E3  -6.72128182E1    2.2195494E0  6.21013922E-2 -4.74489091E-5    3
  1.92358731E-8-3.19437834E-12  -4.27290248E2   2.03810748E1                   4
C5H91-5O2               H   9O   2C   5     G     300.0    5000.0  1395.0      1
   1.83500355E1  2.14696853E-2 -7.33958171E-6  1.13903063E-9-6.60632613E-14    2
  -4.00906372E3  -6.46448628E1    1.9084353E0  5.96163111E-2 -4.14055613E-5    3
  1.51165309E-8-2.29065727E-12   1.75339446E3    2.3792965E1                   4
C5H92-1O2               H   9O   2C   5     G     300.0    5000.0  1395.0      1
   1.81657732E1  2.12944106E-2 -7.21021262E-6  1.11200906E-9-6.42243782E-14    2
  -4.11301909E3  -6.34379275E1  6.58513602E-1  6.27595489E-2 -4.49230615E-5    3
  1.67944681E-8-2.57799119E-12   1.89849569E3   3.03660465E1                   4
C5H92-2O2               H   9O   2C   5     G     300.0    5000.0  1406.0      1
   1.70464547E1  2.07267261E-2 -6.69716885E-6  1.00028104E-9-5.64800035E-14    2
  -7.73141007E3  -5.63544058E1   1.88858345E0  5.81604479E-2 -4.20107728E-5    3
  1.60829907E-8-2.50946628E-12  -2.74214087E3   2.42129835E1                   4
C5H92-3O2               H   9O   2C   5     G     300.0    5000.0  1406.0      1
   1.70464547E1  2.07267261E-2 -6.69716885E-6  1.00028104E-9-5.64800035E-14    2
  -7.73141007E3  -5.63544058E1   1.88858345E0  5.81604479E-2 -4.20107728E-5    3
  1.60829907E-8-2.50946628E-12  -2.74214087E3   2.42129835E1                   4
C5H92-4O2               H   9O   2C   5     G     300.0    5000.0  1384.0      1
   1.77187169E1  2.15580572E-2  -7.2811384E-6  1.12142433E-9-6.47186407E-14    2
  -6.26199231E3  -6.11995154E1    1.8222721E0  5.67240866E-2 -3.66019813E-5    3
  1.21298371E-8-1.64377918E-12  -5.24779258E2   2.49074825E1                   4
C5H92-5O2               H   9O   2C   5     G     300.0    5000.0  1393.0      1
   1.76492895E1   2.2033901E-2 -7.52747658E-6  1.16766758E-9-6.77029661E-14    2
  -4.92389226E3  -6.10885285E1   2.13518287E0  5.64287285E-2 -3.63828677E-5    3
  1.21131986E-8 -1.6589453E-12   6.81532783E2   2.29414412E1                   4
C5H91OO2-3              H   9O   2C   5     G     300.0    5000.0  1424.0      1
   2.12121416E1   1.7881629E-2 -5.76993205E-6 8.60813464E-10-4.85614397E-14    2
   3.69385491E2  -8.71241086E1  -7.28783354E0  1.03580809E-1 -1.03780903E-4    3
  5.08592257E-8-9.57322237E-12   8.15842955E3   5.88238401E1                   4
C5H91OO2-4              H   9O   2C   5     G     100.0    5000.0  898.11      1
   1.76610707E1  1.88425008E-2 -2.56795129E-6 1.71252638E-10 -8.6681735E-15    2
  -2.82910133E3  -6.53502659E1   1.23152163E0  4.23472006E-2  4.11321423E-5    3
 -9.38469105E-8 4.33040659E-11   2.12514864E3   2.32992877E1                   4
C5H91OO2-5              H   9O   2C   5     G     100.0    5000.0  901.14      1
   1.74316703E1  1.93441221E-2  -2.6680295E-6 1.95245977E-10-1.11722128E-14    2
  -2.38358373E3  -6.57334165E1   1.37069301E0  3.79777706E-2  5.39685242E-5    3
  -1.0655151E-7 4.75935678E-11   2.64909764E3   2.19426973E1                   4
C5H92OO1-3              H   9O   2C   5     G     100.0    5000.0  900.67      1
   1.47446118E1  2.39210864E-2 -5.45685067E-6  7.3034446E-10-4.62649539E-14    2
   -2.0190915E3  -4.79677062E1   1.33673042E0  4.37011406E-2  2.78282133E-5    3
 -7.29273848E-8 3.40055798E-11   2.00906347E3   2.42689702E1                   4
C5H92OO1-4              H   9O   2C   5     G     300.0    5000.0  1420.0      1
   2.03881708E1  1.99709745E-2 -6.60437068E-6  1.00248357E-9-5.72600434E-14    2
  -8.86712925E3  -8.74508446E1  -1.13537558E1  1.12726319E-1 -1.10317267E-4    3
  5.30306273E-8-9.84989398E-12   9.98159977E1   7.60925992E1                   4
C5H92OO1-5              H   9O   2C   5     G     100.0    5000.0   909.9      1
   3.53634597E1 -1.27545312E-2  1.44510947E-5 -2.93242332E-9 1.87683787E-13    2
  -7.28617048E3  -1.64224137E2   1.41695393E0  7.22367283E-3  1.94596971E-4    3
 -2.91043402E-7  1.2224334E-10   4.24193901E3   2.57447222E1                   4
C5H92OO3-4              H   9O   2C   5     G     300.0    5000.0  1428.0      1
    1.8865814E1   2.0488741E-2 -6.79845016E-6  1.03431796E-9-5.91737347E-14    2
   4.36533617E2  -7.27078028E1  -5.28375452E0  8.43639514E-2 -7.12956294E-5    3
  3.03788601E-8-5.10757465E-12   7.88960332E3   5.40272274E1                   4
C5H92OO3-5              H   9O   2C   5     G     100.0    5000.0  900.67      1
   1.47446118E1  2.39210864E-2 -5.45685067E-6  7.3034446E-10-4.62649539E-14    2
   -2.0190915E3  -4.79677062E1   1.33673042E0  4.37011406E-2  2.78282133E-5    3
 -7.29273848E-8 3.40055798E-11   2.00906347E3   2.42689702E1                   4
C5H93OO1-2              H   9O   2C   5     G     100.0    5000.0 1677.17      1
   1.06413115E1  3.59715317E-2 -1.55613927E-5  2.86222108E-9-1.93987508E-13    2
   9.12465337E3  -2.61567961E1   1.46640798E0  5.78534418E-2 -3.51318161E-5    3
  1.06413809E-8-1.35355608E-12   1.22022222E4   2.28512073E1                   4
C5H93OO2-4              H   9O   2C   5     G     100.0    5000.0  901.18      1
   1.61696261E1  2.14497398E-2 -4.05133997E-6 4.64374119E-10-2.88673533E-14    2
  -4.04110109E3  -5.77923033E1   1.32802693E0    4.159299E-2  3.85420922E-5    3
 -8.73572331E-8  3.9955808E-11   4.90946743E2   2.25690121E1                   4
C5H93OO2-5              H   9O   2C   5     G     100.0    5000.0  904.26      1
    1.5941221E1  2.19497222E-2 -4.15049555E-6 4.88153446E-10-3.13538891E-14    2
  -3.59601677E3  -5.74879375E1   1.46737731E0  3.72208935E-2  5.13909042E-5    3
 -1.00083569E-7 4.42576827E-11   1.01488818E3   2.19049591E1                   4
C5H9O1-2O-3             H   9O   2C   5     G     100.0    5000.0  875.32      1
   1.41362028E1   2.5447659E-2 -6.47608423E-6 8.84967809E-10-5.28490926E-14    2
   -1.4436934E4  -4.34965645E1  9.26780414E-1  5.84984296E-2 -1.63087501E-5    3
 -2.72740218E-8 1.81709494E-11  -1.10780907E4   2.44491571E1                   4
C5H9O1-2O-4             H   9O   2C   5     G     100.0    5000.0  875.32      1
   1.41362028E1   2.5447659E-2 -6.47608423E-6 8.84967809E-10-5.28490926E-14    2
   -1.4436934E4  -4.34965645E1  9.26780414E-1  5.84984296E-2 -1.63087501E-5    3
 -2.72740218E-8 1.81709494E-11  -1.10780907E4   2.44491571E1                   4
C5H9O2-3O-1             H   9O   2C   5     G     100.0    5000.0  865.27      1
   9.51436481E0  3.36515901E-2  -1.1243967E-5  1.82328726E-9-1.16932368E-13    2
  -1.35770245E4  -1.79055182E1   1.12551785E0  5.97491505E-2 -3.44994028E-5    3
  2.80103484E-9 4.49499282E-12  -1.16505312E4   2.40953209E1                   4
C5H9O2-3O-4             H   9O   2C   5     G     100.0    5000.0  881.43      1
   1.55696817E1  2.29607966E-2 -5.06115186E-6   6.166888E-10 -3.5254767E-14    2
  -1.64621607E4  -5.26750057E1  9.11947821E-1  5.64701069E-2 -5.91347976E-6    3
 -4.12247789E-8 2.38825093E-11  -1.25959473E4   2.34638667E1                   4
C5H9O2-3O-5             H   9O   2C   5     G     100.0    5000.0  865.27      1
   9.51436481E0  3.36515901E-2  -1.1243967E-5  1.82328726E-9-1.16932368E-13    2
  -1.35770245E4  -1.79055182E1   1.12551785E0  5.97491505E-2 -3.44994028E-5    3
  2.80103484E-9 4.49499282E-12  -1.16505312E4   2.40953209E1                   4
C5H81OOH3-1             H   9O   2C   5     G     300.0    5000.0  1401.0      1
   1.94686224E1   2.0081683E-2 -6.85931458E-6  1.06402642E-9-6.16981135E-14    2
   7.59189001E3   -6.9685423E1   1.94263371E0  6.13188821E-2 -4.38272074E-5    3
  1.60803075E-8-2.39248816E-12   1.36145917E4   2.42768815E1                   4
C5H81OOH3-4             H   9O   2C   5     G     300.0    5000.0  1399.0      1
   1.82405763E1  2.09679558E-2 -7.12987625E-6  1.10255816E-9-6.37906628E-14    2
   1.97175216E3  -6.16714209E1   3.08637785E0  5.41554749E-2 -3.39845474E-5    3
   1.0574863E-8-1.27805452E-12   7.43585305E3   2.04662692E1                   4
C5H81OOH3-5             H   9O   2C   5     G     300.0    5000.0  1402.0      1
   1.84445429E1  2.07877189E-2 -7.06601326E-6  1.09240285E-9-6.31914711E-14    2
   3.23617432E3  -6.27777026E1   1.61265986E0   6.0484801E-2 -4.28470077E-5    3
  1.57528946E-8-2.36498323E-12   9.02133529E3   2.74469255E1                   4
C5H81OOH4-1             H   9O   2C   5     G     300.0    5000.0  1403.0      1
   2.02914865E1  1.92937549E-2 -6.56776485E-6   1.0164548E-9-5.88445107E-14    2
   6.23854494E3  -7.53648566E1   2.47204835E0  6.31014409E-2 -4.80788382E-5    3
  1.89973851E-8-3.05000928E-12   1.21715787E4    1.9499458E1                   4
C5H81OOH4-2             H   9O   2C   5     G     300.0    5000.0  1405.0      1
   1.95109019E1  1.96552629E-2 -6.62600222E-6  1.01863747E-9-5.86924463E-14    2
   4.83409477E3  -7.05819712E1   2.73107005E0  6.16562937E-2 -4.73630542E-5    3
  1.91387001E-8-3.15653005E-12   1.03553524E4   1.84971659E1                   4
C5H81OOH4-3             H   9O   2C   5     G     300.0    5000.0  1408.0      1
   1.93362551E1  2.01250681E-2 -6.76510991E-6  1.03795133E-9-5.97196244E-14    2
  -6.10454275E3  -7.12191223E1  9.76863553E-1    6.799054E-2 -5.52731509E-5    3
  2.35514937E-8-4.05758068E-12   -2.6256478E2   2.55538793E1                   4
C5H81OOH4-5             H   9O   2C   5     G     300.0    5000.0  1407.0      1
   1.92549804E1  1.98145557E-2 -6.66715995E-6  1.02355146E-9-5.89151344E-14    2
   2.00593421E3  -6.79528005E1   2.39767382E0  6.29101759E-2 -4.95058155E-5    3
  2.05676901E-8-3.48080215E-12   7.46611406E3   2.12233953E1                   4
C5H81OOH5-2             H   9O   2C   5     G     300.0    5000.0  1394.0      1
    1.9140273E1  2.05187885E-2 -7.04422765E-6  1.09637615E-9-6.37206365E-14    2
   6.67222755E3  -6.80608392E1   2.44212953E0  5.90754338E-2 -4.11673486E-5    3
  1.49131737E-8-2.22686307E-12   1.25325347E4   2.18053914E1                   4
C5H81OOH5-3             H   9O   2C   5     G     300.0    5000.0  1398.0      1
   1.89860228E1  2.09708109E-2 -7.17720297E-6  1.11474151E-9-6.46932158E-14    2
  -4.27859194E3  -6.88240161E1  5.85967039E-1  6.58477217E-2 -4.97094581E-5    3
  1.97122283E-8-3.21301126E-12   1.93040669E3   2.93372534E1                   4
C5H81OOH5-4             H   9O   2C   5     G     300.0    5000.0  1392.0      1
   1.85969465E1  2.08956982E-2 -7.15436145E-6  1.11140275E-9-6.45050316E-14    2
   2.70784184E3  -6.32289388E1   4.39108882E0  5.15528463E-2  -3.1866308E-5    3
  9.97312569E-9-1.25974191E-12   7.93010141E3   1.40216198E1                   4
C5H82OOH1-3             H   9O   2C   5     G     300.0    5000.0  1394.0      1
   1.89070944E1  2.04030983E-2 -6.93887667E-6  1.07342424E-9-6.21304617E-14    2
   6.58451017E3  -6.65813255E1   1.22555493E0  6.20134574E-2  -4.4400833E-5    3
  1.64398443E-8-2.48557619E-12   1.26745908E4   2.82383155E1                   4
C5H82OOH1-4             H   9O   2C   5     G     300.0    5000.0  1399.0      1
    1.8692077E1  2.09562132E-2 -7.11644911E-6  1.09966913E-9-6.35960754E-14    2
  -4.34447197E3   -6.7009768E1 -6.64852326E-1  6.89072105E-2  -5.3113457E-5    3
  2.13526811E-8-3.49815766E-12   2.07856822E3   3.59357013E1                   4
C5H82OOH4-2             H   9O   2C   5     G     300.0    5000.0  1395.0      1
   1.80975882E1  2.12286528E-2 -7.25032338E-6  1.12451608E-9-6.51962948E-14    2
   5.10870303E3  -6.22658286E1   2.82934513E0  5.40700733E-2 -3.31698253E-5    3
  9.94930703E-9-1.13791373E-12   1.06858969E4     2.072242E1                   4
C5H82OOH5-2             H   9O   2C   5     G     300.0    5000.0  1391.0      1
   1.84438756E1  2.10849834E-2 -7.23402169E-6  1.12543328E-9-6.53897225E-14    2
   5.75391202E3  -6.45342769E1   2.63669876E0  5.60265584E-2 -3.63387202E-5    3
  1.20268933E-8 -1.6207559E-12   1.14655972E4   2.11034933E1                   4
C5H82OOH5-3             H   9O   2C   5     G     300.0    5000.0  1391.0      1
   1.84438756E1  2.10849834E-2 -7.23402169E-6  1.12543328E-9-6.53897225E-14    2
   5.75391202E3  -6.45342769E1   2.63669876E0  5.60265584E-2 -3.63387202E-5    3
  1.20268933E-8 -1.6207559E-12   1.14655972E4   2.11034933E1                   4
C5H81-3,4OOH            H  10O   4C   5     G     300.0    5000.0  1402.0      1
   2.38289371E1  2.31145958E-2  -7.8940432E-6  1.22446194E-9-7.09998378E-14    2
  -3.50772101E4  -8.87455916E1   2.13682527E0  7.54856587E-2  -5.6342007E-5    3
  2.16204409E-8-3.36053914E-12  -2.77680681E4   2.70602704E1                   4
C5H81O-3-4OOH           H   9O   3C   5     G     300.0    5000.0  1419.0      1
   2.22637031E1  1.95194865E-2 -6.50502835E-6 9.92213023E-10-5.68541987E-14    2
   -1.7217742E4  -8.32228024E1   3.41252713E0  6.89518822E-2 -5.64052643E-5    3
  2.38599696E-8 -4.0413775E-12  -1.13039337E4   1.59466984E1                   4
C5H81-3,5OOH            H  10O   4C   5     G     300.0    5000.0  1392.0      1
   2.56364889E1   2.2219552E-2 -7.73091675E-6   1.2144846E-9-7.10556154E-14    2
  -3.46036102E4  -1.01287863E2   2.37208823E0  7.26705177E-2  -4.7124757E-5    3
  1.40216117E-8-1.44937673E-12  -2.62605278E4   2.48288553E1                   4
C5H81O-3-5OOH           H   9O   3C   5     G     300.0    5000.0  1407.0      1
    2.1826846E1  2.04547256E-2 -6.94986916E-6  1.07418493E-9-6.21285216E-14    2
  -1.53403816E4  -8.02972582E1   3.25837209E0  6.58928128E-2  -4.9635524E-5    3
  1.93325188E-8-3.05177268E-12    -9.150186E3   1.86065838E1                   4
C5H82-1,4OOH            H  10O   4C   5     G     300.0    5000.0  1402.0      1
    2.3632932E1  2.32347584E-2 -7.92563372E-6  1.22839633E-9-7.11895339E-14    2
  -3.36422259E4  -8.88566321E1   1.40072249E0  7.75526049E-2 -5.89239657E-5    3
  2.30639037E-8-3.65667918E-12  -2.62162429E4   2.96032264E1                   4
C5H82O-4-1OOH           H   9O   3C   5     G     300.0    5000.0  1412.0      1
   2.15944937E1   2.0274893E-2 -6.80963286E-6  1.04455433E-9-6.01024349E-14    2
  -1.54107365E4  -7.87708967E1    2.6329135E0  6.62384215E-2 -4.90238785E-5    3
  1.84552849E-8-2.77422397E-12  -9.09862048E3   2.22937702E1                   4
C5H82-4,5OOH            H  10O   4C   5     G     300.0    5000.0  1390.0      1
   2.45610766E1  2.30422718E-2 -7.99355281E-6  1.25318839E-9-7.32136982E-14    2
  -3.53154409E4  -9.54526834E1   2.72439889E0  6.93492345E-2 -4.29536446E-5    3
   1.1983291E-8-1.09131603E-12  -2.73581377E4   2.33316517E1                   4
C5H82O-4-5OOH           H   9O   3C   5     G     300.0    5000.0  1395.0      1
    2.0670172E1   2.1698212E-2 -7.43755757E-6  1.15650802E-9-6.71752859E-14    2
  -1.63705072E4  -7.47583793E1   3.23108922E0  5.94632351E-2 -3.73082515E-5    3
  1.12611792E-8-1.26741154E-12  -1.00572762E4   1.98868556E1                   4
C5H81O2-4               H   8O   1C   5     G     300.0    5000.0  1419.0      1
   1.41708331E1    2.002816E-2 -6.58786548E-6 9.95503876E-10-5.66558452E-14    2
  -1.11018813E4   -4.9772375E1  -5.49035838E0  7.56811251E-2 -6.74161101E-5    3
  3.10595881E-8-5.66277131E-12  -5.32178474E3   5.22408713E1                   4
C5H81O3-4               H   8O   1C   5     G     300.0    5000.0  1417.0      1
   1.63871962E1   1.8188332E-2 -6.05689377E-6 9.23451295E-10-5.28997384E-14    2
  -1.10194514E4  -6.24617165E1  -5.98234079E0   8.1497772E-2 -7.51420995E-5    3
  3.49936793E-8  -6.392827E-12   -4.4568497E3   5.35846077E1                   4
C5H81O3-5               H   8O   1C   5     G     300.0    5000.0  1425.0      1
   1.46291649E1  1.92307945E-2 -6.22709299E-6 9.30605835E-10-5.25400852E-14    2
  -9.06749882E3  -5.24325671E1  -6.51150222E0  8.16061701E-2 -7.66438529E-5    3
  3.65501449E-8-6.80044183E-12  -3.14102243E3   5.62989462E1                   4
C5H81O4-5               H   8O   1C   5     G     300.0    5000.0  1450.0      1
   1.62618415E1  1.70872996E-2 -5.42630368E-6 8.00123271E-10-4.47479751E-14    2
  -8.58034658E3  -5.98137263E1  -3.53217224E0  7.31250288E-2 -6.55898905E-5    3
  2.96519232E-8-5.23080606E-12  -2.88659098E3   4.26772854E1                   4
C5H82O1-4               H   8O   1C   5     G     300.0    5000.0  1412.0      1
   1.77500839E1   1.8169317E-2 -6.20820342E-6 9.63518029E-10-5.58987391E-14    2
  -2.22224033E4  -7.50605429E1  -6.25547999E0  8.13579346E-2  -7.0251318E-5    3
  3.04457257E-8-5.22022722E-12  -1.47210346E4   5.11328645E1                   4
C5H82O2-4               H   8O   1C   5     G     300.0    5000.0  1414.0      1
   1.36455323E1     2.03925E-2  -6.7866231E-6  1.03392944E-9-5.91863329E-14    2
  -1.20968482E4  -4.72485917E1  -4.80361223E0  7.05382577E-2 -5.97376452E-5    3
  2.65185511E-8-4.72096332E-12  -6.43929629E3   4.92564267E1                   4
C5H82O3-5               H   8O   1C   5     G     300.0    5000.0  1412.0      1
   1.30137182E1  2.14280807E-2 -7.15937364E-6  1.09366106E-9-6.27248354E-14    2
  -1.00180766E4  -4.31233222E1  -5.20767061E0  6.98326827E-2 -5.72294939E-5    3
  2.47936383E-8-4.34406457E-12  -4.30337449E3    5.2613088E1                   4
C5H82O4-5               H   8O   1C   5     G     300.0    5000.0  1433.0      1
   1.54008302E1  1.88745365E-2   -6.264599E-6 9.53199937E-10 -5.4534424E-14    2
  -9.90542664E3  -5.65042963E1  -4.19764019E0  6.86553367E-2 -5.42294004E-5    3
  2.16850333E-8-3.43354941E-12  -3.65702455E3   4.70664588E1                   4
C5H81OOH3-4O2           H   9O   4C   5     G     300.0    5000.0  1402.0      1
   2.28685218E1  2.18075534E-2 -7.44293374E-6  1.15399056E-9  -6.689324E-14    2
  -1.78533719E4  -8.27395852E1   2.92540483E0  6.94778467E-2 -5.09822031E-5    3
  1.92091671E-8-2.93096209E-12   -1.1085438E4   2.38991492E1                   4
C5H81OOH3-5O2           H   9O   4C   5     G     300.0    5000.0  1394.0      1
   2.24268642E1  2.25516382E-2 -7.78085526E-6  1.21517138E-9-7.07960089E-14    2
  -1.59066513E4  -7.96239058E1   2.52557049E0  6.80662934E-2 -4.72696927E-5    3
  1.67052342E-8 -2.3933787E-12  -8.90844303E3   2.75865091E1                   4
C5H81OOH4-3O2           H   9O   4C   5     G     300.0    5000.0  1402.0      1
   2.28685218E1  2.18075534E-2 -7.44293374E-6  1.15399056E-9  -6.689324E-14    2
  -1.78533719E4  -8.27395852E1   2.92540483E0  6.94778467E-2 -5.09822031E-5    3
  1.92091671E-8-2.93096209E-12   -1.1085438E4   2.38991492E1                   4
C5H81OOH4-5O2           H   9O   4C   5     G     300.0    5000.0  1406.0      1
   2.37543703E1  2.08162724E-2 -7.04755078E-6  1.08665909E-9 -6.2743934E-14    2
   -1.7067814E4  -8.73429546E1    3.3326593E0  7.38012191E-2 -6.04926059E-5    3
  2.57964439E-8-4.43901183E-12  -1.05422002E4   2.03955527E1                   4
C5H81OOH5-3O2           H   9O   4C   5     G     300.0    5000.0  1394.0      1
   2.24268642E1  2.25516382E-2 -7.78085526E-6  1.21517138E-9-7.07960089E-14    2
  -1.59066513E4  -7.96239058E1   2.52557049E0  6.80662934E-2 -4.72696927E-5    3
  1.67052342E-8 -2.3933787E-12  -8.90844303E3   2.75865091E1                   4
C5H81OOH5-4O2           H   9O   4C   5     G     300.0    5000.0  1406.0      1
   2.37543703E1  2.08162724E-2 -7.04755078E-6  1.08665909E-9 -6.2743934E-14    2
   -1.7067814E4  -8.73429546E1    3.3326593E0  7.38012191E-2 -6.04926059E-5    3
  2.57964439E-8-4.43901183E-12  -1.05422002E4   2.03955527E1                   4
C5H82OOH4-1O2           H   9O   4C   5     G     300.0    5000.0  1402.0      1
   2.26909574E1  2.18790101E-2 -7.45090364E-6  1.15356577E-9-6.68030939E-14    2
  -1.59191884E4  -8.04293764E1   2.12865331E0  7.18025934E-2 -5.39499807E-5    3
  2.08795105E-8-3.27415376E-12  -9.02073494E3   2.92423873E1                   4
C5H82OOH5-1O2           H   9O   4C   5     G     300.0    5000.0  1397.0      1
   2.31293411E1  2.15984263E-2 -7.37537545E-6  1.14406585E-9-6.63449359E-14    2
  -1.53098411E4  -8.32252314E1     1.787345E0  7.43400432E-2 -5.78231291E-5    3
  2.32946431E-8-3.81423691E-12   -8.2169512E3   3.03206618E1                   4
C5H83OH1Q2              H  10O   3C   5     G     300.0    5000.0  1404.0      1
   2.05064667E1  2.35563682E-2  -7.9890008E-6   1.2332509E-9-7.12657733E-14    2
  -4.17790402E4  -7.23672487E1   1.19205113E0  6.89973918E-2 -4.86326919E-5    3
  1.76557445E-8-2.59798526E-12  -3.51499302E4   3.11697127E1                   4
C5H84OH1Q2              H  10O   3C   5     G     300.0    5000.0  1410.0      1
   2.18856526E1  2.20888679E-2 -7.41770302E-6  1.13732618E-9-6.54081017E-14    2
  -4.20580767E4  -8.05370822E1   1.17730762E0  7.61514839E-2 -6.21488837E-5    3
  2.64592835E-8-4.54152116E-12  -3.54914274E4   2.85655042E1                   4
C5H82OH2Q1              H  10O   3C   5     G     300.0    5000.0  1412.0      1
   2.10102886E1  2.10682262E-2 -6.69848004E-6 9.88549794E-10-5.53197916E-14    2
  -4.46424234E4   -7.5115464E1 -9.25819327E-1  8.64460894E-2 -8.15583644E-5    3
  3.94696418E-8-7.46575135E-12  -3.85165133E4   3.75480119E1                   4
C5H83OH2Q1              H  10O   3C   5     G     300.0    5000.0  1404.0      1
   2.09963464E1  2.29547324E-2 -7.74077711E-6  1.19029268E-9-6.85947338E-14    2
  -4.29790205E4   -7.5922271E1    1.1334712E0  7.29176478E-2 -5.65030735E-5    3
  2.30327079E-8-3.82978974E-12  -3.64651343E4   2.94416108E1                   4
C5H84OH2Q1              H  10O   3C   5     G     300.0    5000.0  1407.0      1
   2.17022393E1  2.23079292E-2  -7.5074344E-6  1.15282168E-9-6.63710497E-14    2
  -4.20689389E4   -7.9472481E1  6.59753422E-1  7.72684459E-2 -6.33283485E-5    3
  2.71246242E-8 -4.6904862E-12  -3.53826208E4   3.14093144E1                   4
C5H81KET34              H   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.33451759E1  1.71825995E-2 -5.95976026E-6 9.35115065E-10-5.46894061E-14    2
  -3.62326364E4  -9.04035053E1  1.36257817E-1  7.43819628E-2 -6.04011655E-5    3
  2.47044651E-8-4.05791655E-12  -2.85217369E4   3.31043652E1                   4
C5H81KET35              H   8O   3C   5     G     300.0    5000.0  1383.0      1
   2.00213735E1  1.98024989E-2 -6.80860205E-6  1.06113421E-9-6.17415996E-14    2
  -3.46075061E4  -7.18089473E1   3.93730518E0  5.20541507E-2 -2.87543568E-5    3
   6.3774146E-9-2.27792267E-13  -2.85504827E4   1.63591093E1                   4
C5H81KET43              H   8O   3C   5     G     300.0    5000.0  2049.0      1
   2.24947136E1  2.02078253E-2 -7.60278592E-6   1.2616554E-9-7.67584583E-14    2
  -3.37897794E4   -8.7776188E1   2.39838666E0  6.45006231E-2 -4.18286684E-5    3
  1.21335375E-8-1.23929146E-12  -2.69599765E4   2.04991652E1                   4
C5H81KET45              H   8O   3C   5     G     300.0    5000.0  1386.0      1
   2.60660543E1  1.57780418E-2 -5.67209741E-6 9.10451826E-10-5.40647796E-14    2
  -3.47731324E4  -1.06008858E2  -2.72714038E0  8.89220445E-2 -7.77615451E-5    3
  3.35452058E-8-5.74235466E-12   -2.5429713E4   4.64348163E1                   4
C5H81KET53              H   8O   3C   5     G     300.0    5000.0  1403.0      1
   2.04076477E1  1.92175516E-2 -6.55134254E-6  1.01530266E-9-5.88464972E-14    2
  -3.21465878E4  -7.28297389E1   3.17460374E0  5.59292974E-2 -3.40949933E-5    3
  9.20150807E-9-7.46392081E-13  -2.59270517E4   2.07793562E1                   4
C5H81KET54              H   8O   3C   5     G     300.0    5000.0  1389.0      1
   2.40926652E1  1.64721764E-2 -5.69889917E-6  8.9282035E-10-5.21650602E-14    2
  -3.31399226E4  -9.38050599E1 -8.89866504E-1  8.04914891E-2 -6.92350124E-5    3
  2.97784438E-8-5.09409554E-12   -2.5107314E4   3.82340156E1                   4
C5H82KET41              H   8O   3C   5     G     300.0    5000.0  1391.0      1
   1.92905215E1  2.04938324E-2 -7.05912684E-6  1.10121352E-9-6.41059327E-14    2
  -3.43808221E4  -6.68175183E1   2.28231594E0  5.90229527E-2 -4.02396009E-5    3
  1.40732853E-8-2.01370267E-12  -2.83400757E4   2.49771745E1                   4
C5H82KET51              H   8O   3C   5     G     300.0    5000.0  1381.0      1
   2.38875394E1  1.75817383E-2 -6.28272521E-6  1.00446288E-9-5.94828235E-14    2
  -3.22463965E4   -9.5201422E1 -7.74237765E-1   7.4628426E-2 -5.62360465E-5    3
  2.07373815E-8-3.03505936E-12  -2.36857368E4   3.73517744E1                   4
C5H82KET45              H   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.26351674E1  1.78215217E-2 -6.18537947E-6 9.70673449E-10-5.67675428E-14    2
  -3.49417932E4  -8.56312636E1 -3.34855517E-2  7.30438533E-2 -5.80726066E-5    3
  2.33321305E-8-3.77766035E-12  -2.73375474E4   3.52441518E1                   4
C5H81KET34O             H   7O   2C   5     G     300.0    5000.0  1370.0      1
   1.82227168E1  1.77511728E-2 -6.24763175E-6 9.88755574E-10-5.81389086E-14    2
  -1.74437274E4  -6.52485105E1   4.23977425E0  4.29351016E-2 -1.99200622E-5    3
  2.22230774E-9  5.0129545E-13  -1.18284328E4   1.25231382E1                   4
C5H81KET35O             H   7O   2C   5     G     300.0    5000.0  1676.0      1
    1.7751509E1  1.96770886E-2 -7.33680045E-6  1.21029244E-9 -7.3330031E-14    2
  -1.40228178E4  -6.30146553E1   5.16331514E0  4.24783263E-2 -1.88859443E-5    3
  1.62483502E-9 5.43040775E-13  -9.27314055E3   6.58155717E0                   4
C5H81KET43O             H   7O   2C   5     G     100.0    5000.0 1662.32      1
   1.44926425E1  2.19958313E-2 -8.68310857E-6  1.53355826E-9-1.01622466E-13    2
  -1.41205169E4  -4.22433779E1   1.16764947E0   5.4059053E-2 -3.76151176E-5    3
  1.31364839E-8-1.84659137E-12  -9.69038344E3   2.88141213E1                   4
C5H81KET45O             H   7O   2C   5     G     100.0    5000.0 1999.71      1
   1.96071553E1  1.79837606E-2 -8.27138345E-6  1.52890715E-9-1.01902249E-13    2
  -1.32288939E4  -7.55548492E1   1.15246095E0    5.489763E-2 -3.59601463E-5    3
  1.07596152E-8-1.25588082E-12  -5.84791215E3   2.62679625E1                   4
C5H81KET53O             H   7O   2C   5     G     300.0    5000.0  1381.0      1
   1.84201409E1  1.63630637E-2 -5.50735344E-6 8.46623652E-10-4.88072807E-14    2
  -1.45635496E4  -6.58217412E1   4.33824049E0  4.35572078E-2 -2.15633526E-5    3
  2.70817711E-9 5.68365192E-13  -9.26496967E3   1.15583856E1                   4
C5H81KET54O             H   7O   2C   5     G     300.0    5000.0  1375.0      1
   1.92530208E1  1.68383232E-2 -5.92518279E-6 9.37701301E-10-5.51390616E-14    2
  -1.45031902E4  -7.03716809E1   3.22055592E0  4.85013605E-2 -2.69047369E-5    3
  5.69816584E-9-1.15357887E-13  -8.40529956E3   1.77065164E1                   4
C5H82KET41O             H   7O   2C   5     G     300.0    5000.0  1574.0      1
   2.03719807E1  1.63346181E-2 -5.85535637E-6 9.38029472E-10-5.56251418E-14    2
   -1.7332027E4  -7.92546147E1   6.09514044E0  3.62895459E-2 -7.24982191E-6    3
 -6.80771266E-9 2.63726399E-12  -1.10842089E4   2.09702111E0                   4
C5H82KET51O             H   7O   2C   5     G     300.0    5000.0  1373.0      1
   2.25297108E1  1.77935631E-2 -7.12910714E-6  1.21910145E-9-7.53491624E-14    2
  -1.44900714E4  -9.44692658E1   3.00883514E0  5.20057556E-2 -2.55082146E-5    3
  3.23451819E-9 4.81283277E-13  -6.41207716E3   1.46810509E1                   4
C5H10OH21               H  11O   1C   5     G     300.0    5000.0  1403.0      1
   1.83853941E1   2.2822578E-2 -7.64460261E-6  1.16996774E-9-6.71948144E-14    2
   -2.1380967E4  -6.67708766E1   1.46502426E0  6.48215982E-2 -4.82040287E-5    3
  1.92150607E-8-3.16465272E-12  -1.57518643E4   2.32232969E1                   4
C5H10OH22               H  11O   1C   5     G     300.0    5000.0  1395.0      1
   1.78871636E1  2.36146622E-2 -7.99848515E-6  1.23353515E-9-7.12310497E-14    2
  -2.51755088E4  -6.46540197E1   1.65550008E0  6.06560822E-2 -4.03444934E-5    3
  1.41445978E-8-2.06350001E-12   -1.9422754E4   2.28770046E1                   4
C5H10OH23               H  11O   1C   5     G     300.0    5000.0  1402.0      1
   1.75237468E1  2.33111605E-2  -7.7625754E-6  1.18336465E-9-6.77794147E-14    2
  -2.23230949E4  -6.16589904E1   1.57671537E0  6.11672776E-2 -4.22201264E-5    3
   1.5483187E-8-2.34663575E-12  -1.68613734E4    2.3743813E1                   4
C5H10OH25               H  11O   1C   5     G     300.0    5000.0  1407.0      1
    1.7877617E1  2.30096382E-2 -7.66030672E-6  1.16773561E-9-6.68876794E-14    2
  -2.17206124E4  -6.40502519E1 -6.11511496E-1    6.857482E-2 -5.07877147E-5    3
  1.97511236E-8 -3.1302597E-12   -1.5594874E4   3.43072707E1                   4
C5H10OH32               H  11O   1C   5     G     300.0    5000.0  1402.0      1
   1.75237468E1  2.33111605E-2  -7.7625754E-6  1.18336465E-9-6.77794147E-14    2
  -2.23230949E4  -6.16589904E1   1.57671537E0  6.11672776E-2 -4.22201264E-5    3
   1.5483187E-8-2.34663575E-12  -1.68613734E4    2.3743813E1                   4
O2C5H10OH21             H  11O   3C   5     G     300.0    5000.0  1403.0      1
   2.21564894E1    2.464846E-2 -8.35302027E-6  1.28869916E-9-7.44372437E-14    2
   -4.0754415E4  -8.21531298E1   1.17115115E0  7.66730583E-2 -5.83784836E-5    3
  2.33930002E-8-3.83723947E-12  -3.37839415E4   2.94556811E1                   4
O2C5H10OH23             H  11O   3C   5     G     300.0    5000.0  1413.0      1
   2.25663309E1  2.36960784E-2 -7.89320309E-6  1.20343029E-9-6.89316529E-14    2
  -4.25964462E4   -8.4872963E1    1.4829299E0  7.92100619E-2 -6.45238925E-5    3
  2.75597603E-8-4.74651399E-12  -3.59663215E4   2.60236189E1                   4
O2C5H10OH32             H  11O   3C   5     G     300.0    5000.0  1413.0      1
   2.25663309E1  2.36960784E-2 -7.89320309E-6  1.20343029E-9-6.89316529E-14    2
  -4.25964462E4   -8.4872963E1    1.4829299E0  7.92100619E-2 -6.45238925E-5    3
  2.75597603E-8-4.74651399E-12  -3.59663215E4   2.60236189E1                   4
C5H10OOH2-1O            H  11O   3C   5     G     300.0    5000.0  1413.0      1
   2.35346179E1  2.34722862E-2 -7.94776963E-6  1.22562706E-9-7.07764677E-14    2
  -3.12413772E4  -9.05213665E1   3.59931598E0  6.97303823E-2 -4.81110105E-5    3
  1.66633403E-8 -2.2760564E-12  -2.43831559E4   1.64907485E1                   4
C5H10OOH1-2O            H  11O   3C   5     G     300.0    5000.0  1399.0      1
   2.34744091E1  2.40289087E-2 -8.24957196E-6  1.28401429E-9 -7.4627689E-14    2
  -3.14288055E4  -9.04874276E1    2.2762658E0  7.41677471E-2 -5.37102267E-5    3
  2.00876552E-8 -3.0656284E-12  -2.41478738E4   2.31073065E1                   4
C5H10OOH2-3O            H  11O   3C   5     G     300.0    5000.0  1422.0      1
   2.37039661E1  2.28944277E-2 -7.65396504E-6  1.17004168E-9-6.71498252E-14    2
  -3.30935488E4  -9.19037151E1   3.52101067E0  7.27990609E-2 -5.45969132E-5    3
  2.10575994E-8-3.25724347E-12  -2.64753038E4   1.53171528E1                   4
C5H10OOH3-2O            H  11O   3C   5     G     300.0    5000.0  1422.0      1
   2.37039661E1  2.28944277E-2 -7.65396504E-6  1.17004168E-9-6.71498252E-14    2
  -3.30935488E4  -9.19037151E1   3.52101067E0  7.27990609E-2 -5.45969132E-5    3
  2.10575994E-8-3.25724347E-12  -2.64753038E4   1.53171528E1                   4
C5H9OH2-1               H  10O   1C   5     G     300.0    5000.0  1393.0      1
   1.79632769E1  1.96261013E-2  -6.9455295E-6  1.16998015E-9-7.31076475E-14    2
  -3.43975167E4  -6.71427512E1   1.15379835E0  6.14754406E-2 -4.76417883E-5    3
  1.94812837E-8-3.26380194E-12  -2.88071871E4   2.22378076E1                   4
C5H9OH2-2               H  10O   1C   5     G     300.0    5000.0  1393.0      1
   1.73420529E1  1.98672053E-2 -6.84827375E-6  1.12853971E-9-6.95367723E-14    2
  -3.53067253E4  -6.39342517E1    1.0617565E0  5.99229234E-2 -4.53382296E-5    3
    1.826474E-8-3.03057217E-12  -2.98359947E4   2.28159483E1                   4
C5H9OH2-3               H  10O   1C   5     G     300.0    5000.0  1404.0      1
   1.63202131E1  2.21187964E-2 -7.33446788E-6  1.11504811E-9-6.37490605E-14    2
  -3.18694826E4  -5.76995691E1 -1.36026247E-1  6.18254995E-2 -4.39977979E-5    3
  1.64952091E-8 -2.5308879E-12  -2.63259212E4   3.01555739E1                   4
C5H9OH3-1               H  10O   1C   5     G     300.0    5000.0  1407.0      1
   1.70524829E1  2.14807216E-2  -7.1112154E-6  1.07990418E-9-6.16917578E-14    2
  -3.09579957E4  -6.14085679E1 -4.00576532E-1  6.51854571E-2 -4.92465698E-5    3
  1.95952916E-8-3.17430732E-12  -2.52486385E4   3.11853383E1                   4
C5H9OH3-2               H  10O   1C   5     G     300.0    5000.0  1393.0      1
   1.73420529E1  1.98672053E-2 -6.84827375E-6  1.12853971E-9-6.95367723E-14    2
  -3.53067253E4  -6.39342517E1    1.0617565E0  5.99229234E-2 -4.53382296E-5    3
    1.826474E-8-3.03057217E-12  -2.98359947E4   2.28159483E1                   4
C5H9OH1Q2-1             H  11O   3C   5     G     300.0    5000.0  1401.0      1
   2.37879334E1   2.3216151E-2 -7.94405983E-6   1.2338479E-9-7.16108087E-14    2
  -3.64368316E4  -9.11172296E1   2.34789216E0  7.38707732E-2 -5.34807426E-5    3
  1.97477739E-8-2.94205883E-12  -2.91046004E4   2.37314926E1                   4
C5H9OH1Q2-3             H  11O   3C   5     G     300.0    5000.0  1398.0      1
    2.2281156E1  2.43747251E-2 -8.31537329E-6  1.28873434E-9-7.46784781E-14    2
  -3.41721221E4  -8.06285061E1   3.38964538E0  6.71053164E-2 -4.47338908E-5    3
  1.51994925E-8-2.08454402E-12  -2.74871659E4   2.12997831E1                   4
C5H9OH1Q2-4             H  11O   3C   5     G     300.0    5000.0  1387.0      1
   2.27388505E1  2.41642034E-2 -8.28644892E-6  1.28910803E-9 -7.4908651E-14    2
  -3.48063231E4  -8.37769305E1   4.25166981E0  5.96701942E-2 -2.99605013E-5    3
  4.76080533E-9 3.77099881E-13  -2.77160089E4   1.80710554E1                   4
C5H9OH1Q2-5             H  11O   3C   5     G     300.0    5000.0  1407.0      1
   2.33109323E1  2.32800076E-2 -7.89120678E-6  1.21784538E-9-7.03667105E-14    2
  -3.31455192E4  -8.68637379E1   1.10229114E0  7.82809522E-2 -6.01916843E-5    3
  2.38463457E-8-3.81365209E-12   -2.5822784E4   3.11713836E1                   4
C5H9OH2Q1-2             H  11O   3C   5     G     300.0    5000.0  1396.0      1
    2.2731438E1  2.41671483E-2  -8.2810309E-6  1.28714199E-9-7.47347188E-14    2
  -3.63460665E4  -8.38051234E1   3.01751654E0  7.13418814E-2 -5.21779727E-5    3
  2.01906306E-8-3.24039693E-12  -2.95765124E4   2.17313001E1                   4
C5H9OH2Q1-3             H  11O   3C   5     G     300.0    5000.0  1402.0      1
   2.22535463E1  2.40987741E-2 -8.15298926E-6  1.25631105E-9-7.25017354E-14    2
  -3.34577645E4  -8.01949324E1   2.88307039E0  7.21478341E-2 -5.45452562E-5    3
   2.1904551E-8-3.62040515E-12  -2.70079896E4   2.28460908E1                   4
C5H9OH2Q1-4             H  11O   3C   5     G     300.0    5000.0  1404.0      1
   2.29935717E1  2.34361206E-2 -7.91684189E-6  1.21866052E-9-7.02774535E-14    2
  -3.24527106E4  -8.57123373E1   2.94424495E0   7.4859003E-2 -5.94311826E-5    3
  2.49892506E-8-4.28826961E-12  -2.59518218E4   2.03303632E1                   4
C5H9OH2Q1-5             H  11O   3C   5     G     300.0    5000.0  1404.0      1
   2.25596118E1  2.39370202E-2 -8.11998611E-6   1.2536194E-9-7.24472773E-14    2
   -3.2866417E4  -8.23875584E1  7.33259174E-1  7.92443021E-2 -6.26093305E-5    3
  2.59205837E-8-4.36579803E-12  -2.57430863E4   3.32581561E1                   4
C5H9OH2Q3-1             H  11O   3C   5     G     300.0    5000.0  1411.0      1
   2.40575423E1  2.22237573E-2 -7.43296754E-6  1.13649325E-9-6.52307037E-14    2
  -3.46335266E4  -9.12246862E1   2.96765375E0  7.83999427E-2 -6.55234377E-5    3
  2.85615321E-8-5.00076173E-12  -2.80570049E4   1.94926067E1                   4
C5H9OH2Q3-2             H  11O   3C   5     G     100.0    5000.0  874.32      1
   1.16650946E1  4.49402847E-2 -2.04952436E-5  3.91267419E-9-2.73869594E-13    2
  -3.37959322E4  -2.38679401E1 -2.58909659E-1  9.94934538E-2 -1.14089482E-4    3
  7.52793928E-8-2.06806086E-11  -3.17108929E4   3.20567609E1                   4
C5H9OH2Q3-4             H  11O   3C   5     G     300.0    5000.0  1413.0      1
   2.22905151E1  2.35071339E-2 -7.82793543E-6  1.19319952E-9-6.83331469E-14    2
  -3.57584405E4  -8.11934723E1   3.13721888E0  7.26007344E-2 -5.65137257E-5    3
  2.32458223E-8-3.88767363E-12  -2.95953181E4   2.00357208E1                   4
C5H9OH2Q3-5             H  11O   3C   5     G     300.0    5000.0  1412.0      1
   2.29611413E1  2.30732838E-2 -7.70830762E-6  1.17765675E-9-6.75549644E-14    2
   -3.4733475E4  -8.51198609E1   1.14210454E0  8.11957199E-2 -6.77591321E-5    3
   2.9481524E-8-5.15032874E-12  -2.79360371E4    2.9413527E1                   4
C5H9OH3Q2-1             H  11O   3C   5     G     300.0    5000.0  1412.0      1
   2.26751705E1  2.32312308E-2 -7.74353614E-6  1.18111227E-9-6.76722598E-14    2
  -3.45638686E4  -8.31660032E1    2.2137808E0  7.74046098E-2  -6.3439751E-5    3
  2.73404322E-8-4.75451857E-12   -2.8146335E4   2.43747383E1                   4
C5H9OH3Q2-3             H  11O   3C   5     G     300.0    5000.0  1404.0      1
   2.31097821E1  2.33043036E-2 -7.86437407E-6   1.2097672E-9-6.97319372E-14    2
  -3.81892064E4  -8.63815551E1   3.27297674E0  7.40576699E-2 -5.85396762E-5    3
  2.45053696E-8-4.18785232E-12   -3.1748411E4   1.85751953E1                   4
C5H9OH3Q2-4             H  11O   3C   5     G     300.0    5000.0  1400.0      1
   2.31443893E1  2.24966393E-2 -7.42729211E-6  1.12607715E-9 -6.4264813E-14    2
  -3.65418683E4  -8.57072045E1    3.1305473E0  7.47954362E-2  -6.0616176E-5    3
  2.59339982E-8 -4.4966442E-12  -3.01830587E4   1.97502894E1                   4
C5H9OH3Q2-5             H  11O   3C   5     G     300.0    5000.0  1413.0      1
   2.34233331E1  2.24619438E-2 -7.44916802E-6  1.13218704E-9-6.47043544E-14    2
  -3.43146595E4  -8.81600115E1   3.27971551E0  7.71702173E-2 -6.51698881E-5    3
  2.88934033E-8-5.14069149E-12   -2.8134331E4   1.72224146E1                   4
CH3COCOHCH2             H   6O   2C   4     G     300.0    5000.0  1402.0      1
   1.53830086E1  1.41536476E-2 -4.79752203E-6 7.40059372E-10-4.27362894E-14    2
  -4.40165669E4  -5.33915258E1  8.59057199E-1  5.69428355E-2 -5.43753744E-5    3
  2.68751657E-8 -5.2291647E-12   -3.9790614E4    2.1580851E1                   4
C5H9OH1O1-2             H  10O   2C   5     G     300.0    5000.0  1423.0      1
   1.99098964E1  2.18541357E-2 -7.29500582E-6   1.1142649E-9-6.39205988E-14    2
  -4.87036233E4  -7.69621973E1  -1.26972384E0  7.44551235E-2 -5.68443223E-5    3
  2.20695095E-8 -3.4099448E-12  -4.18061985E4   3.54312588E1                   4
C5H9OH1O2-3             H  10O   2C   5     G     300.0    5000.0  1424.0      1
   2.07151252E1   2.1327796E-2 -7.15025965E-6  1.09566151E-9-6.30037967E-14    2
  -4.62713503E4  -8.26793359E1   -5.1844684E0  8.85578682E-2 -7.37180591E-5    3
  3.08050676E-8-5.08233556E-12  -3.81438044E4   5.37040013E1                   4
C5H9OH1O2-4             H  10O   2C   5     G     300.0    5000.0  1420.0      1
   1.93090226E1  2.26533706E-2 -7.54092262E-6  1.14957147E-9-6.58525186E-14    2
  -4.67312437E4   -7.6257008E1  -9.09006293E0  1.01649227E-1 -9.20563662E-5    3
   4.2003501E-8-7.52658231E-12  -3.82958719E4   7.15010122E1                   4
C5H9OH1O2-5             H  10O   2C   5     G     300.0    5000.0  1428.0      1
   1.76612188E1  2.36877377E-2 -7.72845823E-6   1.1616231E-9-6.58696123E-14    2
  -5.41684252E4  -6.69313112E1  -1.08364908E1  1.04994098E-1 -9.64854758E-5    3
   4.4692769E-8-8.09242048E-12  -4.59421002E4   8.05579412E1                   4
C5H9OH2O1-2             H  10O   2C   5     G     300.0    5000.0  1411.0      1
   1.89964469E1  2.30363276E-2 -7.78922856E-6  1.20014742E-9-6.92668421E-14    2
  -4.81393304E4  -7.28172714E1 -5.59193471E-1  6.78019158E-2 -4.58359905E-5    3
  1.53660013E-8-2.00054784E-12  -4.13590931E4   3.23600218E1                   4
C5H9OH2O1-3             H  10O   2C   5     G     300.0    5000.0  1420.0      1
   1.93090226E1  2.26533706E-2 -7.54092262E-6  1.14957147E-9-6.58525186E-14    2
  -4.67312437E4   -7.6257008E1  -9.09006293E0  1.01649227E-1 -9.20563662E-5    3
   4.2003501E-8-7.52658231E-12  -3.82958719E4   7.15010122E1                   4
C5H9OH2O1-4             H  10O   2C   5     G     300.0    5000.0  1433.0      1
   1.91152222E1   2.2015092E-2 -7.06383466E-6  1.04944077E-9-5.90168325E-14    2
  -5.64870102E4  -7.55984831E1  -1.04820505E1  1.08378869E-1 -1.02919395E-4    3
  4.85988118E-8-8.89148354E-12   -4.8176901E4   7.68311682E1                   4
C5H9OH2O1-5             H  10O   2C   5     G     300.0    5000.0  1461.0      1
   1.84435999E1   2.3403851E-2 -7.62971249E-6  1.14680509E-9-6.50516771E-14    2
  -5.67759613E4  -7.64901576E1  -8.77798521E0  9.46902923E-2 -7.81353441E-5    3
  3.22657697E-8-5.21797585E-12  -4.83807284E4   6.64894379E1                   4
C5H9OH2O2-3             H  10O   2C   5     G     300.0    5000.0  1421.0      1
    1.9180674E1  2.24310828E-2 -7.48333452E-6   1.1424464E-9-6.55091716E-14    2
   -5.0004872E4  -7.43006786E1 -8.08043264E-1  7.14724138E-2  -5.3099299E-5    3
  2.01903738E-8 -3.0685745E-12  -4.34210828E4   3.20096122E1                   4
C5H9OH2O3-4             H  10O   2C   5     G     300.0    5000.0  1445.0      1
   1.93571399E1  2.03302847E-2 -6.34963572E-6 9.24561219E-10-5.12165973E-14    2
  -4.69120286E4  -7.37669702E1  -3.85371941E0  8.89716896E-2 -8.31241015E-5    3
  3.91259662E-8-7.14556635E-12  -4.05195113E4   4.53909664E1                   4
C5H9OH2O3-5             H  10O   2C   5     G     300.0    5000.0  1420.0      1
   1.93090226E1  2.26533706E-2 -7.54092262E-6  1.14957147E-9-6.58525186E-14    2
  -4.67312437E4   -7.6257008E1  -9.09006293E0  1.01649227E-1 -9.20563662E-5    3
   4.2003501E-8-7.52658231E-12  -3.82958719E4   7.15010122E1                   4
C5H9OH3O1-2             H  10O   2C   5     G     300.0    5000.0  1424.0      1
   2.07151252E1   2.1327796E-2 -7.15025965E-6  1.09566151E-9-6.30037967E-14    2
  -4.62713503E4  -8.26793359E1   -5.1844684E0  8.85578682E-2 -7.37180591E-5    3
  3.08050676E-8-5.08233556E-12  -3.81438044E4   5.37040013E1                   4
C5H9OH3O2-3             H  10O   2C   5     G     300.0    5000.0  1421.0      1
    1.9180674E1  2.24310828E-2 -7.48333452E-6   1.1424464E-9-6.55091716E-14    2
   -5.0004872E4  -7.43006786E1 -8.08043264E-1  7.14724138E-2  -5.3099299E-5    3
  2.01903738E-8 -3.0685745E-12  -4.34210828E4   3.20096122E1                   4
C5H9OH3O2-4             H  10O   2C   5     G     300.0    5000.0  1424.0      1
   1.98283792E1  2.19084535E-2 -7.22061294E-6  1.09326675E-9-6.23276891E-14    2
  -4.88031192E4    -8.051785E1  -8.89239537E0   1.0299828E-1 -9.49576155E-5    3
  4.38282281E-8-7.90288997E-12   -4.0420747E4   6.84404388E1                   4
C5H9OH3O2-5             H  10O   2C   5     G     300.0    5000.0  1433.0      1
   1.91152222E1   2.2015092E-2 -7.06383466E-6  1.04944077E-9-5.90168325E-14    2
  -5.64870102E4  -7.55984831E1  -1.04820505E1  1.08378869E-1 -1.02919395E-4    3
  4.85988118E-8-8.89148354E-12   -4.8176901E4   7.68311682E1                   4
C5H9OH1Q2-3O2           H  11O   5C   5     G     300.0    5000.0  1407.0      1
   2.72199086E1  2.46296759E-2 -8.35712877E-6  1.29066748E-9-7.46126014E-14    2
  -5.39810908E4  -1.03741857E2   2.54155624E0  8.67682056E-2 -6.86501115E-5    3
  2.79708096E-8-4.59245399E-12  -4.59431626E4   2.70624325E1                   4
C5H9OH1Q2-4O2           H  11O   5C   5     G     300.0    5000.0  1407.0      1
   2.72199086E1  2.46296759E-2 -8.35712877E-6  1.29066748E-9-7.46126014E-14    2
  -5.39810908E4  -1.03741857E2   2.54155624E0  8.67682056E-2 -6.86501115E-5    3
  2.79708096E-8-4.59245399E-12  -4.59431626E4   2.70624325E1                   4
C5H9OH1Q2-5O2           H  11O   5C   5     G     300.0    5000.0  1400.0      1
   2.67874127E1   2.5387729E-2 -8.70380225E-6  1.35355693E-9-7.86266655E-14    2
  -5.20267253E4  -1.00659737E2   2.18663648E0  8.53871944E-2 -6.50895513E-5    3
   2.5593277E-8-4.08641354E-12  -4.37798088E4   3.04904805E1                   4
C5H9OH2Q1-3O2           H  11O   5C   5     G     300.0    5000.0  1412.0      1
   2.81785412E1  2.35694769E-2 -7.93878476E-6  1.22002236E-9-7.02870618E-14    2
  -5.41360173E4  -1.08579002E2   2.57675878E0  9.05236856E-2 -7.54777832E-5    3
  3.22196909E-8-5.49190988E-12  -4.60732603E4   2.61910515E1                   4
C5H9OH2Q1-4O2           H  11O   5C   5     G     300.0    5000.0  1412.0      1
   2.81785412E1  2.35694769E-2 -7.93878476E-6  1.22002236E-9-7.02870618E-14    2
  -5.41360173E4  -1.08579002E2   2.57675878E0  9.05236856E-2 -7.54777832E-5    3
  3.22196909E-8-5.49190988E-12  -4.60732603E4   2.61910515E1                   4
C5H9OH2Q1-5O2           H  11O   5C   5     G     300.0    5000.0  1401.0      1
   2.81949996E1  2.43166169E-2 -8.36382002E-6  1.30371738E-9-7.58602899E-14    2
  -5.25684278E4  -1.08556939E2   2.24007022E0  8.71364898E-2 -6.64306122E-5    3
  2.56412218E-8 -3.9713326E-12  -4.38668245E4   2.99046167E1                   4
C5H9OH2Q3-1O2           H  11O   5C   5     G     300.0    5000.0  1412.0      1
   2.81785412E1  2.35694769E-2 -7.93878476E-6  1.22002236E-9-7.02870618E-14    2
  -5.41360173E4  -1.08579002E2   2.57675878E0  9.05236856E-2 -7.54777832E-5    3
  3.22196909E-8-5.49190988E-12  -4.60732603E4   2.61910515E1                   4
C5H9OH2Q3-4O2           H  11O   5C   5     G     300.0    5000.0  1421.0      1
    2.8909671E1  2.23737417E-2 -7.40554022E-6  1.12469002E-9-6.42612815E-14    2
  -5.61653693E4  -1.13264564E2   3.03287586E0  9.20251338E-2 -7.93243703E-5    3
  3.46901156E-8-5.99630534E-12  -4.82697964E4   2.21573701E1                   4
C5H9OH2Q3-5O2           H  11O   5C   5     G     300.0    5000.0  1412.0      1
   2.81785412E1  2.35694769E-2 -7.93878476E-6  1.22002236E-9-7.02870618E-14    2
  -5.41360173E4  -1.08579002E2   2.57675878E0  9.05236856E-2 -7.54777832E-5    3
  3.22196909E-8-5.49190988E-12  -4.60732603E4   2.61910515E1                   4
C5H9OH3Q2-1O2           H  11O   5C   5     G     300.0    5000.0  1412.0      1
   2.81785412E1  2.35694769E-2 -7.93878476E-6  1.22002236E-9-7.02870618E-14    2
  -5.41360173E4  -1.08579002E2   2.57675878E0  9.05236856E-2 -7.54777832E-5    3
  3.22196909E-8-5.49190988E-12  -4.60732603E4   2.61910515E1                   4
C5H9OH3Q2-4O2           H  11O   5C   5     G     300.0    5000.0  1421.0      1
    2.8909671E1  2.23737417E-2 -7.40554022E-6  1.12469002E-9-6.42612815E-14    2
  -5.61653693E4  -1.13264564E2   3.03287586E0  9.20251338E-2 -7.93243703E-5    3
  3.46901156E-8-5.99630534E-12  -4.82697964E4   2.21573701E1                   4
C5H9OH3Q4-1O2           H  11O   5C   5     G     300.0    5000.0  1412.0      1
   2.81785412E1  2.35694769E-2 -7.93878476E-6  1.22002236E-9-7.02870618E-14    2
  -5.41360173E4  -1.08579002E2   2.57675878E0  9.05236856E-2 -7.54777832E-5    3
  3.22196909E-8-5.49190988E-12  -4.60732603E4   2.61910515E1                   4
C5H8OH1KET2-3           H  10O   4C   5     G     300.0    5000.0  1379.0      1
   2.65156989E1  2.12210188E-2 -7.34198593E-6   1.1499892E-9-6.71727026E-14    2
  -7.03490878E4  -1.02956289E2   2.44172046E0  7.73698292E-2 -5.74306591E-5    3
   2.1556666E-8-3.28001906E-12  -6.19994441E4   2.63400711E1                   4
C5H8OH1KET2-4           H  10O   4C   5     G     300.0    5000.0  1372.0      1
    2.5729964E1  2.21882573E-2 -7.74148194E-6  1.21917462E-9 -7.1476614E-14    2
  -7.20389125E4  -1.00786575E2    2.1961126E0  7.29949018E-2 -4.81492713E-5    3
  1.52328827E-8-1.85004917E-12  -6.34677706E4   2.70587796E1                   4
C5H8OH1KET2-5           H  10O   4C   5     G     300.0    5000.0  1362.0      1
   2.46318446E1  2.28934413E-2 -7.93560184E-6  1.24444424E-9 -7.2746902E-14    2
  -6.95590488E4  -9.32229664E1   4.50933869E0  6.13556612E-2 -3.19404933E-5    3
  5.84137976E-9 1.16878612E-13  -6.17425531E4   1.78402071E1                   4
C5H8OH2KET1-3           H  10O   4C   5     G     300.0    5000.0  1394.0      1
   2.60073068E1  2.19295605E-2 -7.63412611E-6  1.19953195E-9-7.01855241E-14    2
  -7.02415454E4  -1.01385341E2   1.81828794E0  7.96636551E-2 -6.03983857E-5    3
  2.31661609E-8-3.58270872E-12  -6.20131243E4   2.80079478E1                   4
C5H8OH2KET1-4           H  10O   4C   5     G     300.0    5000.0  1394.0      1
   2.60073068E1  2.19295605E-2 -7.63412611E-6  1.19953195E-9-7.01855241E-14    2
  -7.02415454E4  -1.01385341E2   1.81828794E0  7.96636551E-2 -6.03983857E-5    3
  2.31661609E-8-3.58270872E-12  -6.20131243E4   2.80079478E1                   4
C5H8OH2KET1-5           H  10O   4C   5     G     300.0    5000.0  1388.0      1
   2.54257398E1  2.26911835E-2 -7.95703472E-6  1.25627921E-9-7.37487415E-14    2
  -6.82324122E4  -9.74340728E1   1.30867609E0  7.85094156E-2 -5.73076662E-5    3
  2.11504287E-8-3.16681654E-12  -5.98102498E4   3.22676216E1                   4
C5H8OH2KET3-1           H  10O   4C   5     G     300.0    5000.0  1389.0      1
   2.40223147E1  2.31048019E-2 -7.92937628E-6  1.23436557E-9-7.17651904E-14    2
  -7.13545081E4   -8.9711247E1   2.67262039E0  7.04298347E-2 -4.66408413E-5    3
  1.50167009E-8-1.85355414E-12   -6.3755333E4   2.57379916E1                   4
C5H8OH2KET3-4           H  10O   4C   5     G     300.0    5000.0  1387.0      1
   2.73999676E1  2.04073095E-2 -7.04876747E-6  1.10301974E-9-6.43925327E-14    2
  -7.30115003E4  -1.08634172E2    -1.046326E0  9.22303882E-2 -7.73514752E-5    3
  3.27034785E-8-5.53465196E-12  -6.37347067E4   4.21313909E1                   4
C5H8OH2KET3-5           H  10O   4C   5     G     300.0    5000.0  1389.0      1
   2.40223147E1  2.31048019E-2 -7.92937628E-6  1.23436557E-9-7.17651904E-14    2
  -7.13545081E4   -8.9711247E1   2.67262039E0  7.04298347E-2 -4.66408413E-5    3
  1.50167009E-8-1.85355414E-12   -6.3755333E4   2.57379916E1                   4
C5H8OH3KET2-1           H  10O   4C   5     G     300.0    5000.0  1389.0      1
   2.74983143E1  2.02793808E-2 -6.99505452E-6  1.09365541E-9-6.38081652E-14    2
  -7.08388259E4  -1.07995919E2  -1.50223875E0  9.43188759E-2 -8.03243043E-5    3
   3.4424206E-8-5.88938492E-12  -6.14692759E4   4.54066342E1                   4
C5H8OH3KET2-4           H  10O   4C   5     G     300.0    5000.0  1401.0      1
   2.38770733E1  2.30617393E-2 -7.87125135E-6  1.22027793E-9-7.07261061E-14    2
  -7.28755456E4  -8.86283963E1   2.62291307E0  7.64919613E-2  -6.0220797E-5    3
  2.48633207E-8-4.18880944E-12  -6.58761243E4   2.41713245E1                   4
C5H8OH3KET2-5           H  10O   4C   5     G     300.0    5000.0  1391.0      1
   2.39938849E1  2.35597022E-2 -8.17703245E-6  1.28211604E-9 -7.4902366E-14    2
  -7.13028313E4  -8.90610645E1   2.25143837E0  7.37098762E-2  -5.2427174E-5    3
  1.91138536E-8-2.85028185E-12  -6.36766897E4   2.79564578E1                   4
IC6D3                   H  12C   6          G     300.0    5000.0  1393.0      1
   1.72910901E1  2.73390384E-2 -9.33634788E-6   1.4478138E-9-8.39256365E-14    2
  -1.68542605E4  -6.74423636E1  -4.6932745E-1  6.51169119E-2 -3.90470828E-5    3
  1.16822072E-8 -1.3788989E-12   -1.0272735E4   2.93282834E1                   4
IC6D3-2                 H  11C   6          G     300.0    5000.0  1389.0      1
   1.63991884E1  2.60813732E-2  -8.9271905E-6  1.38657582E-9-8.04681497E-14    2
   6.71050324E1  -6.37524141E1  1.99366847E-2  5.83749136E-2 -3.08388249E-5    3
  6.92388211E-9-3.60162828E-13   6.37507923E3   2.63689044E1                   4
IC6D3-2O                H  11O   1C   6     G     300.0    5000.0  1375.0      1
   2.02095421E1   2.5688215E-2 -8.95199188E-6  1.40724505E-9-8.23541164E-14    2
  -1.22535474E4  -8.04625768E1    4.9192871E0  5.24205841E-2 -2.32170605E-5    3
  2.89250453E-9 3.76995132E-13  -5.91746856E3   5.05842854E0                   4
I3C6D1                  H  12C   6          G     300.0    5000.0  1395.0      1
   1.77667979E1  2.69756406E-2 -9.21989087E-6  1.43055518E-9-8.29577133E-14    2
  -1.56836997E4  -6.87930377E1  -1.28061255E0  6.97935486E-2 -4.59082978E-5    3
  1.57564454E-8-2.24229481E-12  -8.85710162E3   3.41707239E1                   4
I3C6D1-3                H  11C   6          G     300.0    5000.0  1382.0      1
   1.79450895E1  2.41816489E-2 -8.15643147E-6  1.25534181E-9-7.24184612E-14    2
   5.24649176E2  -6.96176883E1 -5.43272512E-1  6.35261882E-2 -3.84755357E-5    3
   1.1111223E-8-1.16714536E-12   7.29460409E3   3.09831599E1                   4
I3C6D1-3O               H  11O   1C   6     G     300.0    5000.0  1386.0      1
   2.18759437E1  2.30094771E-2  -7.7616513E-6  1.19472056E-9-6.89294471E-14    2
  -1.12728406E4  -8.74691903E1   2.39169991E0  6.52692776E-2 -4.09431423E-5    3
  1.21625236E-8-1.30140435E-12  -4.26723511E3   1.81850542E1                   4
C5H10-1                 H  10C   5          G     200.0    3000.0  1000.0      1
   4.80571242E0  3.93322437E-2 -1.86770756E-5  4.30209091E-9 -3.9019387E-13    2
  -5.95876737E3   2.28979639E0   7.29669123E0 -6.61181039E-4  1.02370104E-4    3
 -1.31781286E-7 5.21484493E-11  -5.28897818E3  -3.22097598E0                   4
C5H10-2                 H  10C   5          G     200.0    3000.0  1000.0      1
   3.20177642E0  4.19399771E-2 -2.04073772E-5  4.82552052E-9-4.49688453E-13    2
  -6.77474387E3   1.06588082E1   6.38890629E0  5.17821802E-3  8.38243423E-5    3
 -1.08917745E-7  4.2636487E-11  -6.50631935E3  4.31672439E-1                   4
C5H91-1                 H   9C   5          G     200.0    3000.0  1000.0      1
   5.05920235E0  3.64736061E-2 -1.76644591E-5  4.15548041E-9-3.85048342E-13    2
   2.37015989E4    2.7763549E0   5.33717043E0  1.25910913E-2  6.55534406E-5    3
 -9.47082812E-8 3.88653602E-11    2.4491447E4   6.27176932E0                   4
C5H91-2                 H   9C   5          G     200.0    3000.0  1000.0      1
   5.16601511E0  3.59353868E-2 -1.71053381E-5  3.93526759E-9-3.55399257E-13    2
   2.18877783E4   2.64001388E0    6.6638262E0  3.15486786E-3  8.76777048E-5    3
 -1.16766675E-7  4.6846209E-11   2.25877099E4   1.11607791E0                   4
C5H91-3                 H   9C   5          G     200.0    3000.0  1000.0      1
   4.58009725E0  3.78909114E-2  -1.8676163E-5  4.50631744E-9-4.31097589E-13    2
   1.04362358E4   3.50786106E0   4.92813299E0  1.07601889E-2  7.53109763E-5    3
 -1.06704866E-7 4.35756334E-11   1.13259646E4   7.30957998E0                   4
C5H91-4                 H   9C   5          G     200.0    3000.0  1000.0      1
    3.7485791E0  3.80727038E-2  -1.8472963E-5  4.33400847E-9 -3.9858161E-13    2
   1.77334204E4   1.15246465E1   7.04080013E0 -3.24769017E-3  1.02690615E-4    3
 -1.30532374E-7 5.13323955E-11   1.80839371E4   1.54411064E0                   4
C5H91-5                 H   9C   5          G     200.0    3000.0  1000.0      1
   5.26984301E0  3.61772106E-2 -1.75518655E-5  4.14065007E-9-3.84330867E-13    2
   1.88081273E4   3.09091826E0   7.22285748E0  7.33114839E-4  9.44776346E-5    3
 -1.25088414E-7 5.03063153E-11    1.9403131E4 -5.66988623E-1                   4
C5H92-2                 H   9C   5          G     200.0    3000.0  1000.0      1
    3.5088208E0  3.88526391E-2 -1.92439706E-5  4.65337749E-9-4.45384245E-13    2
   2.14319089E4   1.07418825E1   7.04396007E0  1.56957396E-3  8.38906304E-5    3
 -1.06558814E-7 4.13801325E-11   2.15980465E4  -1.34787842E0                   4
C5H92-3                 H   9C   5          G     200.0    3000.0  1000.0      1
   3.66126945E0   3.8504388E-2 -1.89566189E-5  4.54794306E-9-4.31244914E-13    2
   2.14927539E4   9.98790637E0   7.44219247E0 -1.86130682E-3  9.37623697E-5    3
 -1.17957718E-7 4.59402002E-11   2.16738085E4  -2.88122479E0                   4
C5H92-4                 H   9C   5          G     200.0    3000.0  1000.0      1
   3.50856731E0  3.93554954E-2 -1.94327955E-5  4.67381006E-9-4.43922581E-13    2
   9.36571475E3   8.82328906E0   7.45118476E0 -6.34795939E-3  1.10654308E-4    3
 -1.37728518E-7 5.36321402E-11   9.69782654E3  -3.80301707E0                   4
C5H92-5                 H   9C   5          G     200.0    3000.0  1000.0      1
   3.93599627E0  3.82388853E-2 -1.89453375E-5  4.59117331E-9-4.40452868E-13    2
   1.78011953E4   1.00624567E1   7.25185352E0  1.65230845E-3   8.4675525E-5    3
   -1.090008E-7  4.2801378E-11   1.79879662E4  -1.01299452E0                   4
AC5H9O-C                H   9O   1C   5     G     300.0    5000.0  1382.0      1
   1.76789601E1  2.05915073E-2 -7.18764438E-6  1.13116483E-9-6.62505034E-14    2
  -6.25146818E3  -6.62131721E1   2.04951318E0  5.36584877E-2  -3.3508671E-5    3
  1.06174235E-8-1.39224338E-12  -3.85112518E2   1.91077262E1                   4
CC5H9O-B                H   9O   1C   5     G     300.0    5000.0  1377.0      1
   1.86974377E1  1.84542537E-2 -6.18682537E-6 9.48850967E-10 -5.4620398E-14    2
  -7.15897769E3  -7.26540429E1   2.75614808E0  5.20514036E-2 -3.10966938E-5    3
  8.25895065E-9-6.59917121E-13  -1.35162741E3   1.40990119E1                   4
BC5H10                  H  10C   5          G     200.0    3000.0  1000.0      1
   2.43604039E0  4.26698394E-2 -2.06096382E-5  4.81426739E-9-4.41304814E-13    2
  -7.87742644E3   1.40425561E1   6.97870495E0 -2.46912236E-3  1.01782898E-4    3
 -1.25790376E-7 4.83670989E-11  -7.75864233E3  -2.06158545E0                   4
BC5H9-C                 H   9C   5          G     200.0    3000.0  1000.0      1
   3.25602933E0    3.883562E-2 -1.90450777E-5  4.55327743E-9-4.30459769E-13    2
   2.00111293E4   1.15355687E1    7.5418267E0  7.35880854E-4  7.99444741E-5    3
 -9.85237034E-8  3.7470911E-11   1.99676553E4  -4.58105653E0                   4
CC5H10                  H  10C   5          G     200.0    3000.0  1000.0      1
   4.29132105E0  4.06138804E-2 -1.97856072E-5  4.70348359E-9 -4.4207255E-13    2
  -6.74886731E3   3.92259413E0   4.76118317E0  1.51965058E-2  6.76895718E-5    3
 -9.89517389E-8 4.06854834E-11  -5.98014071E3   6.62653844E0                   4
CC5H9-A                 H   9C   5          G     200.0    3000.0  1000.0      1
   5.83974771E0  3.49881529E-2 -1.67524047E-5  3.92283254E-9-3.64251695E-13    2
    1.7933898E4   -1.0479906E0   6.56971524E0  8.12068272E-3  7.37100718E-5    3
 -1.02655391E-7 4.18889988E-11   1.86774127E4  5.08566424E-1                   4
CC5H9-B                 H   9C   5          G     200.0    3000.0  1000.0      1
   3.55190233E0  3.93832461E-2 -1.95502604E-5  4.73737367E-9-4.53931285E-13    2
   8.59512853E3   8.30767598E0   5.00482525E0  9.57632035E-3  7.41540743E-5    3
 -1.01857602E-7 4.07907126E-11    9.2107054E3   6.44649604E0                   4
CC5H9-C                 H   9C   5          G     200.0    3000.0  1000.0      1
    5.0864782E0   3.6587639E-2 -1.78871515E-5   4.2702093E-9-4.03391097E-13    2
   2.11400954E4   1.39595995E0   4.96190292E0  1.60680623E-2  5.70031607E-5    3
 -8.62482826E-8 3.58689405E-11   2.19361783E4   6.43566385E0                   4
CC5H9-D                 H   9C   5          G     200.0    3000.0  1000.0      1
   5.43093594E0  3.60811047E-2 -1.75615578E-5  4.16999653E-9 -3.9161106E-13    2
   2.26620902E4  -6.2768226E-1    3.9753341E0  2.36310392E-2  3.94728859E-5    3
 -6.92077543E-8 2.98573632E-11   2.36258863E4   1.02571091E1                   4
B2E2M1OJ                H   9O   1C   5     G     300.0    5000.0  2003.0      1
   1.35666458E1  2.56547934E-2 -9.37226256E-6  1.52518398E-9-9.15378763E-14    2
  -3.58767067E3  -4.27272791E1   5.64762692E0  3.43609862E-2 -5.60649548E-6    3
 -5.19111402E-9 1.73155461E-12  -6.65737793E0   3.13825267E0                   4
AC5H10                  H  10C   5          G     200.0    3000.0  1000.0      1
    3.5081941E0  4.19588686E-2 -2.07434721E-5  5.02272513E-9 -4.8268103E-13    2
  -7.45892729E3   8.24526165E0   5.10075206E0  1.14618232E-2  7.48325605E-5    3
 -1.03973288E-7 4.18417876E-11  -6.87753037E3   5.70417752E0                   4
AC5H9-A1                H   9C   5          G     200.0    3000.0  1000.0      1
   4.23280533E0  3.77837982E-2 -1.86201269E-5  4.47956997E-9 -4.2585436E-13    2
   2.23978958E4   6.60131402E0   5.62699225E0  1.46361104E-2   5.2691468E-5    3
 -7.63986026E-8 3.08942241E-11   2.27625485E4   3.59187354E0                   4
AC5H9-A2                H   9C   5          G     200.0    3000.0  1000.0      1
   5.37402088E0  3.63068025E-2 -1.74550924E-5   4.0884189E-9-3.78421042E-13    2
   1.00932639E4  -9.2875034E-1   3.16228179E0  2.22903987E-2  5.13102202E-5    3
 -8.56813875E-8 3.68542155E-11   1.13873582E4   1.45982591E1                   4
AC5H9-C                 H   9C   5          G     200.0    3000.0  1000.0      1
   4.15484073E0  3.80769147E-2  -1.8506506E-5  4.37669296E-9-4.08431646E-13    2
   9.33380689E3   5.11111559E0   4.35273311E0  1.34532681E-2  6.70816888E-5    3
 -9.66735514E-8  3.9479372E-11   1.02033398E4   9.28513653E0                   4
AC5H9-D                 H   9C   5          G     200.0    3000.0  1000.0      1
   5.26091299E0  3.59766702E-2 -1.73817646E-5  4.09954178E-9-3.82548445E-13    2
   1.70052975E4  4.82353983E-1    4.3805134E0  2.30528317E-2  3.65824123E-5    3
 -6.37776586E-8  2.7334713E-11   1.77854052E4   8.20210699E0                   4
B2E3M1OJ                H   9O   1C   5     G     300.0    5000.0  2003.0      1
   1.35666458E1  2.56547934E-2 -9.37226256E-6  1.52518398E-9-9.15378763E-14    2
  -3.58767067E3  -4.27272791E1   5.64762692E0  3.43609862E-2 -5.60649548E-6    3
 -5.19111402E-9 1.73155461E-12  -6.65737793E0   3.13825267E0                   4
B13DE2M                 H   8C   5          G     300.0    5000.0  1397.0      1
   1.40757545E1  1.82375566E-2 -6.20747687E-6 9.60350919E-10-5.55741525E-14    2
   2.40033881E3  -5.12988284E1 -4.72170009E-1  5.59413257E-2 -4.50458826E-5    3
  1.96181377E-8-3.52009647E-12   7.14960489E3   2.56276807E1                   4
B13DE2MJ                H   7C   5          G     300.0    5000.0  1393.0      1
   1.48413344E1  1.52425753E-2 -5.13559858E-6  7.8978726E-10-4.55353492E-14    2
    2.0266157E4  -5.54474955E1 -8.98037227E-1  5.65174321E-2 -4.76107829E-5    3
  2.09672106E-8-3.73076319E-12   2.52881763E4   2.74966602E1                   4
B12DE3M                 H   8C   5          G     300.0    5000.0  1388.0      1
   1.37093177E1  1.85726726E-2 -6.33115904E-6 9.80719059E-10-5.68099894E-14    2
   8.59518752E3  -4.88749621E1   1.27860173E0  4.54917474E-2 -2.82334169E-5    3
  8.98449372E-9-1.17220042E-12   1.31637341E4   1.87039373E1                   4
O2C4H8CHO               H   9O   3C   5     G     300.0    5000.0  1395.0      1
   2.12629904E1  2.14072282E-2 -7.38342949E-6  1.15281523E-9-6.71508438E-14    2
  -3.16854524E4  -7.99828703E1   1.91847699E0  6.67245869E-2 -4.80871046E-5    3
   1.7858869E-8 -2.7116388E-12  -2.49837984E4   2.38577867E1                   4
O2HC4H8CO               H   9O   3C   5     G     300.0    5000.0  1394.0      1
    2.3821963E1  1.91411448E-2 -6.67919154E-6  1.05127303E-9-6.15876805E-14    2
  -3.23093973E4  -9.42580755E1   1.82607262E0  6.93466111E-2  -4.9312514E-5    3
   1.6984834E-8-2.26117657E-12  -2.46578311E4   2.41167544E1                   4
TC4H8CHO                H   9O   1C   5     G     300.0    5000.0  1397.0      1
   1.79663933E1  1.94207117E-2 -6.67409451E-6  1.03969221E-9-6.04702651E-14    2
  -1.33368585E4  -6.79819424E1 -9.58078294E-1  6.42003258E-2 -4.70776827E-5    3
  1.75737698E-8-2.64896151E-12  -6.86582501E3   3.33781112E1                   4
PC4H8CHO-1O2            H   9O   3C   5     G     300.0    5000.0  1385.0      1
   2.46719452E1  1.85504127E-2  -6.4220984E-6  1.00647312E-9-5.88171032E-14    2
  -3.18555321E4  -9.71440808E1 -4.63291072E-1  8.02504798E-2 -6.47236563E-5    3
  2.62037194E-8-4.25127975E-12  -2.34955268E4   3.66761324E1                   4
PC4H8CHO-2O2            H   9O   3C   5     G     300.0    5000.0  1404.0      1
    2.1672512E1  2.03883823E-2  -6.8902542E-6  1.06159257E-9-6.12789415E-14    2
  -3.20581874E4  -8.08233009E1   3.75698588E0  5.99220385E-2  -3.8471137E-5    3
  1.16653123E-8-1.26664695E-12   -2.5720712E4   1.60217605E1                   4
PC4H8CHO-3O2            H   9O   3C   5     G     300.0    5000.0  1404.0      1
    2.1672512E1  2.03883823E-2  -6.8902542E-6  1.06159257E-9-6.12789415E-14    2
  -3.20581874E4  -8.08233009E1   3.75698588E0  5.99220385E-2  -3.8471137E-5    3
  1.16653123E-8-1.26664695E-12   -2.5720712E4   1.60217605E1                   4
PC4H8CHO-4O2            H   9O   3C   5     G     300.0    5000.0  1385.0      1
   2.12856144E1  2.12771293E-2 -7.31814716E-6  1.14082494E-9 -6.6390004E-14    2
  -3.02079416E4  -7.82029614E1   3.37850952E0  5.77659231E-2 -3.28975023E-5    3
  7.80995858E-9-4.14571925E-13  -2.35309122E4   1.97380195E1                   4
C4H7CHO-2               H   8O   1C   5     G     300.0    5000.0  1390.0      1
   1.62588601E1  1.87787531E-2 -6.45805165E-6  1.00641261E-9-5.85466414E-14    2
  -2.44023233E4  -5.96450353E1  3.69688874E-4  5.71382743E-2 -4.15287925E-5    3
  1.58289787E-8-2.49867087E-12  -1.87655817E4   2.75869712E1                   4
C4H7CHO-3               H   8O   1C   5     G     300.0    5000.0  1372.0      1
   1.85624452E1  1.77488565E-2 -6.31409537E-6  1.00644898E-9-5.94751763E-14    2
   -2.1907195E4  -7.39093473E1 -5.56352278E-1  5.72529209E-2 -3.54056789E-5    3
  9.77878171E-9-8.99111821E-13  -1.47673655E4   3.05783957E1                   4
C4H7CHO-4               H   8O   1C   5     G     300.0    5000.0  1384.0      1
   1.58576532E1  1.86534921E-2  -6.3181181E-6 9.74987341E-10-5.63441964E-14    2
  -2.03331041E4  -5.56987444E1   1.79333973E0  4.64360031E-2 -2.44058281E-5    3
  4.71900615E-9 3.47453977E-14  -1.50194128E4   2.15047883E1                   4
C4H7CO1-4               H   7O   1C   5     G     300.0    5000.0  1378.0      1
   1.54637001E1  1.64158685E-2 -5.54672481E-6 8.55055295E-10 -4.9392875E-14    2
  -8.55858619E2  -5.10065564E1   2.09347005E0  4.59484008E-2 -3.00651488E-5    3
  9.99306335E-9-1.34709811E-12    3.9665937E3   2.14210959E1                   4
C4H6CHO-3,1             H   7O   1C   5     G     300.0    5000.0  1370.0      1
   1.82128893E1  1.54976186E-2 -5.53773292E-6  8.8530286E-10-5.24233304E-14    2
  -2.95615612E3  -7.03513763E1 -4.36035476E-2   5.3736134E-2 -3.42933689E-5    3
  9.87849217E-9-9.84553336E-13   3.79679433E3   2.92190034E1                   4
C4H6CHO-3,2             H   7O   1C   5     G     300.0    5000.0  1374.0      1
   1.82374968E1  1.58987808E-2 -5.67555464E-6 9.06759473E-10-5.36704677E-14    2
  -4.94227138E3  -7.20543838E1  -1.12851462E0  5.76267995E-2 -3.85680931E-5    3
  1.20687243E-8-1.40739761E-12   2.09873632E3   3.31436267E1                   4
C4H6CHO-2,4O            H   7O   2C   5     G     300.0    5000.0  1412.0      1
   1.86797213E1  1.58488448E-2 -5.26854752E-6 8.03211186E-10-4.60389076E-14    2
  -1.61898706E4  -6.74721986E1   3.97585609E0  4.80413632E-2 -3.02836687E-5    3
  8.65490146E-9-7.96226456E-13  -1.10064507E4   1.20300434E1                   4
C4H6CHO-4,3             H   7O   1C   5     G     300.0    5000.0  1389.0      1
   1.55363938E1  1.68169228E-2 -5.68864604E-6 8.77226212E-10-5.06741077E-14    2
  -3.37619739E3  -5.38773344E1   1.28637968E0  4.65369681E-2 -2.71924042E-5    3
  6.80709326E-9-4.36046605E-13   1.83643986E3   2.37648966E1                   4
PC4H7CHOQ1-3            H   9O   3C   5     G     100.0    5000.0 1347.31      1
   1.15315932E1  3.86195695E-2 -1.73031859E-5  3.27953498E-9-2.28263801E-13    2
  -2.13802477E4  -2.11830469E1  8.76269124E-1    7.025433E-2 -5.25235388E-5    3
  2.07072456E-8-3.46210167E-12  -1.85090786E4   3.33990582E1                   4
CH3CYC3H4OCHO           H   8O   2C   5     G     100.0    5000.0  908.41      1
   1.52699433E1  1.93727703E-2 -3.26720032E-6 3.58758217E-10-2.43397744E-14    2
  -3.44419006E4  -5.22570641E1   1.87058512E0   2.7250395E-2  6.81425351E-5    3
 -1.14000359E-7  4.8497791E-11  -2.98980943E4   2.27102779E1                   4
PC4H7CHOQ2-1            H   9O   3C   5     G     100.0    5000.0 1003.98      1
   2.07278726E1  2.36982274E-2   -8.993483E-6  1.68526793E-9-1.21707764E-13    2
   -3.0655677E4    -7.574199E1 -1.50253526E-1  7.71894285E-2 -4.45535517E-5    3
 -4.15709985E-9 8.66765185E-12  -2.49670752E4    3.2517945E1                   4
C2H5CYC2H2OCHO          H   8O   2C   5     G     100.0    5000.0  899.68      1
   1.54561248E1  1.96657854E-2 -3.69240984E-6 4.15404199E-10-2.53871916E-14    2
  -3.34228489E4  -5.15793869E1   1.46062319E0  4.03087969E-2  3.12170044E-5    3
 -7.68238139E-8 3.57123901E-11  -2.92217021E4   2.38137576E1                   4
PC4H7CHOQ2-4            H   9O   3C   5     G     100.0    5000.0  812.38      1
   8.56026814E0  4.51098077E-2 -2.14737615E-5  4.17921834E-9-2.95654279E-13    2
   -1.8830668E4  -5.91286523E0  4.28642711E-1  8.51487376E-2 -9.54034415E-5    3
  6.48490336E-8-1.89662333E-11  -1.75094872E4   3.16277993E1                   4
CYC3H5OCH2CHO           H   8O   2C   5     G     100.0    5000.0  897.83      1
    9.9798837E0  2.90527476E-2 -8.78302842E-6  1.37606336E-9-8.86980956E-14    2
  -3.11035108E4  -2.23094685E1   1.64314338E0  4.34830963E-2  5.05239227E-6    3
 -3.70721133E-8  1.8462524E-11   -2.8691143E4   2.21097137E1                   4
PC4H7CHOQ3-1            H   9O   3C   5     G     100.0    5000.0 1027.33      1
   1.97844391E1  2.53059005E-2 -9.72726613E-6  1.79464647E-9-1.26927243E-13    2
  -3.02286399E4  -7.09893661E1 -2.11935901E-1  8.05416663E-2 -5.73467868E-5    3
  1.12623478E-8 2.78506532E-12  -2.49262951E4   3.18307981E1                   4
PC4H8COQ1               H   9O   3C   5     G     100.0    5000.0 1378.35      1
   1.68861693E1  2.95421922E-2 -1.24149075E-5  2.29634476E-9-1.58102346E-13    2
  -2.72340317E4  -5.19924249E1  1.64443586E-1  7.80688763E-2 -6.52243284E-5    3
  2.78386256E-8-4.79085608E-12  -2.26243434E4    3.4046059E1                   4
PC4H8COQ2               H   9O   3C   5     G     100.0    5000.0  831.03      1
   9.79111933E0  4.21667135E-2 -1.96212197E-5  3.77480035E-9-2.65132572E-13    2
  -2.45321861E4  -1.29447885E1  2.70328015E-1  8.79951522E-2 -1.02344614E-4    3
   7.0139802E-8-2.02306762E-11  -2.29498417E4   3.12249181E1                   4
PC4H8COQ3               H   9O   3C   5     G     100.0    5000.0  831.03      1
   9.79111933E0  4.21667135E-2 -1.96212197E-5  3.77480035E-9-2.65132572E-13    2
  -2.45321861E4  -1.29447885E1  2.70328015E-1  8.79951522E-2 -1.02344614E-4    3
   7.0139802E-8-2.02306762E-11  -2.29498417E4   3.12249181E1                   4
PC4H9CHO                H  10O   1C   5     G     300.0    5000.0  1383.0      1
   1.71928366E1  2.24205079E-2 -7.66524563E-6  1.18999819E-9-6.90481012E-14    2
   -3.6204845E4   -6.3926545E1   1.55168051E0  5.17580624E-2 -2.47521866E-5    3
  3.39585733E-9 4.54214964E-13  -3.01104924E4   2.25340321E1                   4
PC4H9CO                 H   9O   1C   5     G     300.0    5000.0  1380.0      1
   1.67761337E1  2.02898448E-2 -6.94418179E-6  1.07888297E-9-6.26360391E-14    2
  -1.72426942E4  -6.00185187E1   2.32674439E0   4.6956799E-2 -2.17002843E-5    3
  2.33166983E-9 6.15109331E-13  -1.15824032E4   1.99866279E1                   4
PC4H8CHO-1              H   9O   1C   5     G     300.0    5000.0  1391.0      1
   1.73203841E1  2.00050584E-2 -6.88462599E-6  1.07357298E-9-6.24869113E-14    2
   -1.6087944E4  -6.51443168E1  8.84469923E-1  5.26232725E-2 -2.83373818E-5    3
  5.66303879E-9-3.63459101E-15  -9.89241254E3   2.50250388E1                   4
PC4H8CHO-2              H   9O   1C   5     G     300.0    5000.0  1426.0      1
   1.58456286E1  2.08430527E-2 -7.08562851E-6  1.09605491E-9-6.34445999E-14    2
  -1.24300179E4  -5.32908403E1   3.19129086E0  3.91487154E-2 -8.88573585E-6    3
   -5.863404E-9 2.44961462E-12  -7.02633915E3   1.84682536E1                   4
PC4H8CHO-3              H   9O   1C   5     G     300.0    5000.0  1426.0      1
   1.58456286E1  2.08430527E-2 -7.08562851E-6  1.09605491E-9-6.34445999E-14    2
  -1.24300179E4  -5.32908403E1   3.19129086E0  3.91487154E-2 -8.88573585E-6    3
   -5.863404E-9 2.44961462E-12  -7.02633915E3   1.84682536E1                   4
PC4H8CHO-4              H   9O   1C   5     G     300.0    5000.0  1383.0      1
   1.66333143E1  2.03619734E-2 -6.95844731E-6  1.08002411E-9  -6.265916E-14    2
   -1.1082493E4  -5.81167187E1   1.89962807E0  4.83598549E-2   -2.373815E-5    3
  3.58762168E-9 3.40201608E-13  -5.38702187E3   2.31840311E1                   4
AC3H5CHO                H   6O   1C   4     G     200.0    3000.0  1000.0      1
   4.11177934E0   2.8984584E-2 -1.45399322E-5  3.57066568E-9-3.47430372E-13    2
   -1.1855833E4   8.01249221E0   6.31334754E0 -8.24892617E-4  7.36799562E-5    3
 -9.48724083E-8 3.74836637E-11  -1.15147427E4   1.86071484E0                   4
AC3H5CO                 H   5O   1C   4     G     300.0    5000.0  1389.0      1
    1.1864659E1  1.28852832E-2 -4.45460888E-6 6.96613045E-10 -4.0621549E-14    2
   3.86957822E3  -3.32914428E1  7.33691342E-1  3.92117703E-2 -2.94730676E-5    3
  1.23983669E-8-2.33130379E-12   7.76212794E3   2.65015931E1                   4
NC52ONEO2-3             H   9O   3C   5     G     300.0    5000.0  1389.0      1
    2.3238489E1  1.91383699E-2 -6.48795686E-6  1.00265179E-9-5.80286197E-14    2
  -3.48643643E4  -8.86014914E1  3.67212944E-1  7.61782682E-2 -6.13904833E-5    3
  2.51922695E-8-4.15673555E-12   -2.7349075E4   3.28428407E1                   4
NC52ONEO2-4             H   9O   3C   5     G     300.0    5000.0  1419.0      1
   2.05185681E1  2.04863743E-2 -6.73858014E-6  1.01931995E-9-5.80865415E-14    2
  -3.51672453E4  -7.38258122E1   4.46745059E0  5.62677767E-2 -3.55388942E-5    3
  1.07130185E-8-1.15039744E-12   -2.9553632E4   1.27650471E1                   4
NC52ONEO2-5             H   9O   3C   5     G     300.0    5000.0  1388.0      1
    2.0057697E1  2.15456046E-2 -7.24499615E-6  1.11255956E-9-6.40750213E-14    2
  -3.33006712E4  -7.08203167E1   4.08984713E0  5.40452788E-2 -2.97970958E-5    3
  6.76825508E-9-2.84375003E-13  -2.73624576E4   1.64944454E1                   4
NC53ONEO2-1             H   9O   3C   5     G     300.0    5000.0  1472.0      1
   2.08297563E1  2.14528808E-2 -7.34744816E-6  1.14331164E-9-6.64861408E-14    2
  -3.41829302E4   -7.6952685E1     4.517234E0  4.63561824E-2 -1.26143575E-5    3
 -5.62683827E-9 2.63012314E-12  -2.73321757E4   1.51181731E1                   4
NC53ONEO2-2             H   9O   3C   5     G     300.0    5000.0  1386.0      1
   2.33146573E1  1.91100357E-2 -6.48744531E-6  1.00363367E-9-5.81318155E-14    2
  -3.50527575E4  -8.98266438E1   1.18594239E0  7.06410637E-2 -5.13727958E-5    3
  1.83400895E-8-2.55856018E-12  -2.74781465E4    2.8867364E1                   4
NC52ONE-3               H   8O   1C   5     G     300.0    5000.0  1388.0      1
   1.48312595E1  2.01259287E-2 -6.94970483E-6  1.08573546E-9-6.32625551E-14    2
  -2.65938915E4  -5.14361841E1  8.18407003E-1  5.17195551E-2  -3.4785225E-5    3
  1.26179448E-8-1.96289033E-12  -2.15095891E4   2.44001463E1                   4
NC52ONE-4               H   8O   1C   5     G     300.0    5000.0  1395.0      1
   1.45047399E1   1.9995472E-2  -6.8151948E-6  1.05547414E-9-6.11274397E-14    2
  -2.26071842E4  -4.74948237E1  2.46588134E-1  5.27913864E-2 -3.58755256E-5    3
  1.29117478E-8 -1.9428539E-12  -1.75679347E4   2.93219925E1                   4
NC53ONE-1               H   8O   1C   5     G     300.0    5000.0  1388.0      1
   1.54699471E1  1.94419026E-2  -6.6848715E-6  1.04158457E-9-6.05841804E-14    2
  -2.56037925E4  -5.50815753E1    1.0684551E0  4.97050279E-2 -2.97718118E-5    3
  8.51066096E-9-8.95411427E-13  -2.02580056E4   2.34730078E1                   4
NC3H7COCH3              H  10O   1C   5     G     300.0    5000.0  1387.0      1
   1.59632618E1  2.26394805E-2 -7.56430418E-6  1.15632032E-9-6.63757297E-14    2
  -3.92822369E4  -5.65033421E1   2.22465879E0  4.82791863E-2 -2.21019858E-5    3
  2.64029906E-9 5.23720489E-13   -3.3937906E4   1.94495002E1                   4
C2H5COC2H5              H  10O   1C   5     G     300.0    5000.0  1421.0      1
   1.65155931E1  2.18966306E-2 -7.26184066E-6   1.1053753E-9-6.32910022E-14    2
  -3.96722497E4  -6.11243728E1   3.04335984E0  4.24811577E-2 -1.12087588E-5    3
 -5.05051822E-9 2.35367193E-12  -3.40615638E4   1.48305047E1                   4
NC3H7COCH2              H   9O   1C   5     G     300.0    5000.0  1393.0      1
   1.72611127E1  1.91828746E-2 -6.41680319E-6 9.82027213E-10-5.64270287E-14    2
  -1.74829806E4  -6.30397964E1   2.14964962E0  5.09715972E-2 -2.97744827E-5    3
  7.64275255E-9-5.47753503E-13  -1.19838512E4   1.91969246E1                   4
CH3CH2CHCOCH3           H   9O   1C   5     G     300.0    5000.0  1428.0      1
   1.53040392E1  2.03924168E-2 -6.74389287E-6  1.02444156E-9-5.85693457E-14    2
   -1.9576501E4  -4.96835091E1   3.62180151E0  3.78869197E-2 -9.52099354E-6    3
 -4.70140858E-9 2.11456934E-12  -1.46643385E4   1.63246571E1                   4
CH3CHCH2COCH3           H   9O   1C   5     G     300.0    5000.0  1313.0      1
   1.45647685E1  2.10276788E-2 -6.95711397E-6  1.05654321E-9-6.03737583E-14    2
  -1.54618001E4  -4.55117654E1   3.82775077E0  3.59153332E-2 -6.78571299E-6    3
 -6.24819689E-9 2.43917244E-12  -1.08496104E4   1.55399306E1                   4
CH2CH2CH2COCH3          H   9O   1C   5     G     300.0    5000.0  2010.0      1
   1.36121876E1  2.29083157E-2 -7.89568575E-6  1.23743112E-9-7.24018569E-14    2
  -1.31339181E4  -4.00994585E1   2.03928898E0  4.76715898E-2 -2.60373643E-5    3
  6.44110554E-9-5.11322699E-13   -9.1424304E3   2.25010591E1                   4
CH2CH2COC2H5            H   9O   1C   5     G     300.0    5000.0  1418.0      1
   1.58030158E1  2.00450814E-2  -6.6410202E-6  1.01015297E-9-5.78091691E-14    2
  -1.44839773E4  -5.37408145E1   3.36988365E0  3.93333507E-2 -1.08692381E-5    3
 -4.28049004E-9 2.08635748E-12  -9.33794632E3   1.62475992E1                   4
CH3CHCOC2H5             H   9O   1C   5     G     300.0    5000.0  1426.0      1
   1.52590939E1  2.06874083E-2 -6.90185396E-6  1.05491074E-9-6.05775562E-14    2
  -1.97701234E4   -5.0340445E1    4.2615043E0  3.32446421E-2 -1.19632509E-6    3
 -1.01813061E-8 3.34232716E-12  -1.47673892E4   1.31662371E1                   4
C5H10OH-2O2             H  11O   3C   5     G     300.0    5000.0  1406.0      1
   2.28162462E1  2.40750309E-2 -8.15387271E-6  1.25759554E-9-7.26292545E-14    2
  -4.09893865E4  -8.60865796E1   1.54218231E0  7.57844091E-2 -5.63028041E-5    3
    2.163746E-8-3.37143496E-12  -3.38651232E4   2.73478003E1                   4
C5H10OH-3O2             H  11O   3C   5     G     300.0    5000.0  1406.0      1
   2.28162462E1  2.40750309E-2 -8.15387271E-6  1.25759554E-9-7.26292545E-14    2
  -4.09893865E4  -8.60865796E1   1.54218231E0  7.57844091E-2 -5.63028041E-5    3
    2.163746E-8-3.37143496E-12  -3.38651232E4   2.73478003E1                   4
C5H10OH-4O2             H  11O   3C   5     G     300.0    5000.0  1406.0      1
   2.28162462E1  2.40750309E-2 -8.15387271E-6  1.25759554E-9-7.26292545E-14    2
  -4.09893865E4  -8.60865796E1   1.54218231E0  7.57844091E-2 -5.63028041E-5    3
    2.163746E-8-3.37143496E-12  -3.38651232E4   2.73478003E1                   4
C5H10OH-5O2             H  11O   3C   5     G     300.0    5000.0  1397.0      1
   2.21449702E1  2.49621926E-2 -8.52928879E-6   1.3233661E-9-7.67473293E-14    2
    -3.894676E4  -8.16310639E1   1.13788816E0  7.41287041E-2 -5.25165329E-5    3
  1.92381362E-8-2.87963457E-12  -3.16767835E4   3.11292521E1                   4
C5H9OH1-1               H  10O   1C   5     G     300.0    5000.0  1403.0      1
   1.75079316E1  2.16282601E-2 -7.27208145E-6  1.11583782E-9-6.42027887E-14    2
   -3.1870734E4  -6.52360421E1 -6.90735141E-1  6.92485774E-2 -5.61398036E-5    3
  2.42367215E-8-4.26419373E-12  -2.60504168E4   3.07069354E1                   4
C5H9OH1-2               H  10O   1C   5     G     300.0    5000.0  1675.0      1
   1.78045419E1  2.48925071E-2 -9.29301946E-6  1.53425395E-9-9.30112211E-14    2
  -2.99235353E4  -6.84092104E1   1.47322264E0  5.46113342E-2 -2.45313375E-5    3
  2.22407257E-9 6.77287378E-13  -2.37768206E4   2.18284831E1                   4
C5H9OH1-3               H  10O   1C   5     G     300.0    5000.0  1397.0      1
    1.5913839E1  2.31062744E-2 -7.81044987E-6  1.20293033E-9-6.94003175E-14    2
  -2.99594444E4   -5.5024888E1 -1.38555457E-1  5.92501184E-2 -3.85227103E-5    3
  1.29285673E-8 -1.7683901E-12  -2.42493634E4   3.16656051E1                   4
C5H9OH1-4               H  10O   1C   5     G     300.0    5000.0  1402.0      1
   1.66049879E1  2.24705202E-2 -7.58043689E-6  1.16591694E-9-6.72003965E-14    2
  -2.90133161E4  -5.84629732E1 -4.35539968E-1  6.28559326E-2 -4.42731889E-5    3
  1.63671885E-8-2.48658434E-12  -2.31695391E4   3.28212879E1                   4
C5H9OH1-2,4             H   9O   1C   5     G     300.0    5000.0  1675.0      1
   1.78862438E1  2.25404616E-2 -8.43887314E-6  1.39586241E-9-8.47323458E-14    2
  -1.31129333E4  -6.88309349E1  8.28974728E-1  5.58595109E-2 -2.88865473E-5    3
  5.03019042E-9 1.10557145E-13   -6.9185405E3   2.45923279E1                   4
C5H9OH1-2,4O            H   9O   2C   5     G     300.0    5000.0  1671.0      1
   1.89787519E1  2.36948234E-2 -8.82621999E-6  1.45500304E-9  -8.811382E-14    2
   -2.3468498E4  -7.01563537E1    6.7891844E0  4.18537816E-2 -1.21514075E-5    3
 -3.23637558E-9 1.58176806E-12  -1.84871099E4   -1.3551215E0                   4
C5H9OH1-4,3             H   9O   1C   5     G     300.0    5000.0  1404.0      1
   1.62981073E1  2.06017704E-2 -6.93538272E-6  1.06525356E-9-6.13422396E-14    2
  -1.20583248E4  -5.67147054E1 -9.61525356E-1  6.30370939E-2 -4.71571023E-5    3
  1.84933342E-8-2.96110403E-12  -6.31079207E3   3.51698818E1                   4
C5H9OH1-4,3O            H   9O   2C   5     G     300.0    5000.0  1420.0      1
   1.91016197E1  2.00023448E-2 -6.65630407E-6  1.01441001E-9 -5.8094743E-14    2
  -2.30743071E4  -6.78803333E1   2.34402722E0  6.05245124E-2 -4.36784697E-5    3
  1.61480331E-8-2.38587004E-12  -1.74928685E4   2.14595826E1                   4
C5H9OH2-1,3             H   9O   1C   5     G     300.0    5000.0  1394.0      1
   1.73247506E1  1.85352867E-2 -6.83615749E-6  1.19065789E-9-7.59680846E-14    2
  -1.73521069E4  -6.36552399E1  9.81169884E-1  5.99064045E-2 -4.77285526E-5    3
  1.98506928E-8-3.36286704E-12  -1.19974208E4   2.29853919E1                   4
C5H9OH2-1,3O            H   9O   2C   5     G     300.0    5000.0  1395.0      1
   1.98060634E1  1.88513288E-2  -7.2270573E-6  1.29521535E-9-8.39977541E-14    2
  -2.83174493E4  -7.32352371E1    3.5680017E0  6.05489203E-2 -4.89951507E-5    3
  2.05635517E-8 -3.5051892E-12  -2.30692258E4   1.26146914E1                   4
CH3COOH                 H   4O   2C   2     G     100.0    5000.0 1020.01      1
   6.36119795E0   1.5512919E-2 -6.47987869E-6  1.25442875E-9-9.10571966E-14    2
  -5.51024369E4  -7.66372118E0   3.21748732E0  1.02436285E-2  2.71474706E-5    3
 -3.76379626E-8 1.35868528E-11  -5.35456809E4   1.20525321E1                   4
C2H5COOH                H   6O   2C   3     G     200.0    6000.0  1000.0      1
   8.61036813E0  1.87894582E-2 -6.70711294E-6    1.074283E-9-6.38870386E-14    2
  -5.84579056E4  -1.62863669E1   3.17735342E0  1.97712993E-2  1.76043257E-5    3
 -2.87620586E-8 9.91218961E-12  -5.61557542E4   1.55574368E1                   4
NC5H11OH                H  12O   1C   5     G     300.0    5000.0  1399.0      1
   1.81326422E1  2.58734469E-2  -8.7614751E-6  1.35108218E-9-7.80169568E-14    2
  -4.49393846E4  -6.77258765E1 -7.40082992E-1  6.83880275E-2 -4.47177434E-5    3
  1.49115071E-8-1.99981896E-12  -3.82501077E4   3.41515985E1                   4
C5H10OH11               H  11O   1C   5     G     300.0    5000.0  1394.0      1
   1.80953018E1  2.33361161E-2 -7.88463541E-6  1.21428332E-9-7.00616136E-14    2
  -2.30206675E4  -6.61675776E1  4.26049537E-1  6.31258286E-2 -4.15122762E-5    3
  1.38895665E-8 -1.8673201E-12  -1.67596661E4   2.92144309E1                   4
C5H10OH12               H  11O   1C   5     G     300.0    5000.0  1394.0      1
   1.71780951E1  2.42601001E-2 -8.22986526E-6  1.27049816E-9-7.34155598E-14    2
  -2.04290445E4   -5.9347229E1   1.84753679E0   5.7308684E-2 -3.47271444E-5    3
   1.0651614E-8-1.30777652E-12  -1.47995754E4   2.40150308E1                   4
C5H10OH13               H  11O   1C   5     G     300.0    5000.0  1402.0      1
   1.68143234E1  2.44876194E-2 -8.29372543E-6  1.27921101E-9-7.38804613E-14    2
  -2.12567818E4  -5.74573295E1   5.4116771E-1  5.66862244E-2 -2.94678472E-5    3
  5.84904634E-9-3.31866473E-14  -1.50943752E4   3.18827466E1                   4
C5H10OH14               H  11O   1C   5     G     300.0    5000.0  1402.0      1
   1.68143234E1  2.44876194E-2 -8.29372543E-6  1.27921101E-9-7.38804613E-14    2
  -2.12567818E4  -5.74573295E1   5.4116771E-1  5.66862244E-2 -2.94678472E-5    3
  5.84904634E-9-3.31866473E-14  -1.50943752E4   3.18827466E1                   4
C5H10OH15               H  11O   1C   5     G     300.0    5000.0  1400.0      1
   1.74868543E1  2.39842944E-2 -8.13298324E-6  1.25529418E-9-7.25301446E-14    2
  -1.97969015E4   -6.1461234E1 -3.94307021E-1  6.50012333E-2 -4.38043364E-5    3
  1.52539819E-8-2.16516288E-12  -1.35258816E4   3.48138101E1                   4
C6H13O2-1               H  13O   2C   6     G     300.0    5000.0  1392.0      1
   2.28914465E1  2.85188611E-2 -9.66630052E-6  1.55250374E-9-9.36209447E-14    2
  -2.41827222E4  -8.85940836E1 -6.21119583E-1  8.61148598E-2 -6.47376069E-5    3
   2.5953296E-8-4.29274257E-12  -1.62550377E4   3.67860405E1                   4
C6H13O2-2               H  13O   2C   6     G     300.0    5000.0  1392.0      1
   2.34943638E1  2.77184467E-2 -9.48420824E-6  1.54728306E-9-9.45701065E-14    2
  -2.62823765E4  -9.27289829E1  7.50505432E-1  8.35695895E-2 -6.30385362E-5    3
  2.53421168E-8-4.19921584E-12  -1.86281182E4   2.85021193E1                   4
C6H13O2-3               H  13O   2C   6     G     300.0    5000.0  1392.0      1
   2.34943638E1  2.77184467E-2 -9.48420824E-6  1.54728306E-9-9.45701065E-14    2
  -2.62823765E4  -9.27289829E1  7.50505432E-1  8.35695895E-2 -6.30385362E-5    3
  2.53421168E-8-4.19921584E-12  -1.86281182E4   2.85021193E1                   4
C6H13OOH-1              H  14O   2C   6     G     300.0    5000.0  1393.0      1
   2.45163599E1  3.04358125E-2 -1.04768961E-5  1.63358168E-9-9.50618695E-14    2
  -4.15556124E4  -9.84863105E1 -1.59137407E-2  8.70077257E-2 -6.20932014E-5    3
  2.45827648E-8-4.38319224E-12  -3.28670676E4    3.3741829E1                   4
C6H13OOH-2              H  14O   2C   6     G     300.0    5000.0  1401.0      1
   2.48832119E1  2.96512073E-2 -1.01015279E-5  1.56407586E-9-9.05729002E-14    2
   -4.3409345E4  -1.01035357E2  3.81539135E-1   8.8929837E-2 -6.69259878E-5    3
  2.77211133E-8-5.00711364E-12  -3.50573724E4      2.99551E1                   4
C6H13OOH-3              H  14O   2C   6     G     300.0    5000.0  1401.0      1
   2.48832119E1  2.96512073E-2 -1.01015279E-5  1.56407586E-9-9.05729002E-14    2
   -4.3409345E4  -1.01035357E2  3.81539135E-1   8.8929837E-2 -6.69259878E-5    3
  2.77211133E-8-5.00711364E-12  -3.50573724E4      2.99551E1                   4
C6H13O-1                H  13O   1C   6     G     300.0    5000.0  1396.0      1
   2.20928922E1  2.79119481E-2 -9.53349733E-6  1.47885354E-9-8.57536878E-14    2
  -2.26149126E4  -8.78500221E1   1.15865136E0  7.25154472E-2 -4.46809101E-5    3
  1.39503117E-8-1.86716504E-12  -1.49316546E4   2.61055875E1                   4
C6H13O-2                H  13O   1C   6     G     300.0    5000.0  1405.0      1
   2.18292052E1  2.77008387E-2 -9.36457645E-6  1.44248495E-9-8.32314882E-14    2
  -2.43069612E4  -8.67599555E1   1.32263781E0  7.38747571E-2 -4.88923554E-5    3
  1.71124944E-8-2.59808447E-12  -1.70378453E4   2.39704515E1                   4
C6H13O-3                H  13O   1C   6     G     300.0    5000.0  1405.0      1
   2.18292052E1  2.77008387E-2 -9.36457645E-6  1.44248495E-9-8.32314882E-14    2
  -2.43069612E4  -8.67599555E1   1.32263781E0  7.38747571E-2 -4.88923554E-5    3
  1.71124944E-8-2.59808447E-12  -1.70378453E4   2.39704515E1                   4
C6H12OOH1-2O            H  13O   3C   6     G     300.0    5000.0  1535.0      1
   2.92647989E1  2.69146554E-2 -9.38475487E-6  1.47659709E-9-8.64902012E-14    2
  -3.71428582E4  -1.22241263E2   2.81115915E0  7.78875982E-2 -4.01754335E-5    3
  5.95117871E-9  7.3779229E-13  -2.70824846E4   2.33229855E1                   4
C6H12OOH2-1O            H  13O   3C   6     G     300.0    5000.0  1409.0      1
     2.683942E1  2.78771803E-2 -9.46581223E-6  1.46245818E-9-8.45621758E-14    2
  -3.54093277E4  -1.06753584E2   3.10208248E0  8.41529101E-2 -6.10455881E-5    3
   2.3581431E-8-3.89731435E-12  -2.72908501E4    2.0397529E1                   4
C6H12OOH2-6O            H  13O   3C   6     G     300.0    5000.0  1409.0      1
     2.683942E1  2.78771803E-2 -9.46581223E-6  1.46245818E-9-8.45621758E-14    2
  -3.54093277E4  -1.06753584E2   3.10208248E0  8.41529101E-2 -6.10455881E-5    3
   2.3581431E-8-3.89731435E-12  -2.72908501E4    2.0397529E1                   4
C6H12OOH3-5O            H  13O   3C   6     G     300.0    5000.0  1408.0      1
   2.70100981E1  2.75803123E-2 -9.32839137E-6  1.43724826E-9-8.29386001E-14    2
  -3.73206361E4  -1.08313782E2    1.7790204E0  9.31728362E-2 -7.71092161E-5    3
  3.46143595E-8-6.53501894E-12  -2.92040693E4   2.49121411E1                   4
C6H12OOH1-5O            H  13O   3C   6     G     300.0    5000.0  1535.0      1
   2.92647989E1  2.69146554E-2 -9.38475487E-6  1.47659709E-9-8.64902012E-14    2
  -3.71428582E4  -1.22241263E2   2.81115915E0  7.78875982E-2 -4.01754335E-5    3
  5.95117871E-9  7.3779229E-13  -2.70824846E4   2.33229855E1                   4
C6H12OOH2-5O            H  13O   3C   6     G     300.0    5000.0  1408.0      1
   2.70100981E1  2.75803123E-2 -9.32839137E-6  1.43724826E-9-8.29386001E-14    2
  -3.73206361E4  -1.08313782E2    1.7790204E0  9.31728362E-2 -7.71092161E-5    3
  3.46143595E-8-6.53501894E-12  -2.92040693E4   2.49121411E1                   4
C6H12OOH3-4O            H  13O   3C   6     G     300.0    5000.0  1408.0      1
   2.70100981E1  2.75803123E-2 -9.32839137E-6  1.43724826E-9-8.29386001E-14    2
  -3.73206361E4  -1.08313782E2    1.7790204E0  9.31728362E-2 -7.71092161E-5    3
  3.46143595E-8-6.53501894E-12  -2.92040693E4   2.49121411E1                   4
C6H12OOH1-4             H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.27895146E1  2.89701974E-2 -9.88728294E-6  1.53286753E-9-8.88486536E-14    2
  -1.75354587E4  -8.54472703E1   1.68641671E0  7.41579917E-2 -4.60243869E-5    3
  1.47710288E-8-2.08194235E-12  -9.79181859E3   2.93854842E1                   4
C6H12OOH2-4             H  13O   2C   6     G     300.0    5000.0  1408.0      1
   2.31606108E1  2.80956105E-2 -9.46369942E-6  1.45419355E-9-8.37638675E-14    2
  -1.93769881E4  -8.79771551E1   2.05906149E0   7.6267825E-2  -5.1334664E-5    3
  1.82714353E-8-2.79595943E-12  -1.19795243E4   2.57023367E1                   4
C6H12OOH3-2             H  13O   2C   6     G     300.0    5000.0  1400.0      1
   2.36864065E1   2.8011599E-2 -9.51112192E-6  1.46925773E-9-8.49419123E-14    2
  -1.93009261E4  -9.14434796E1   2.40855093E0  7.87360508E-2 -5.74293964E-5    3
  2.33017506E-8-4.17826749E-12  -1.19575914E4      2.26056E1                   4
C6H12OOH1-2             H  13O   2C   6     G     300.0    5000.0  1392.0      1
    2.3395897E1  2.87500915E-2 -9.87479228E-6  1.53738184E-9-8.93686071E-14    2
  -1.74894987E4  -8.93613506E1   2.00308754E0  7.67457168E-2 -5.22255001E-5    3
  1.98022023E-8-3.45064415E-12  -9.76448262E3   2.64447925E1                   4
C6H12OOH1-3             H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.27895146E1  2.89701974E-2 -9.88728294E-6  1.53286753E-9-8.88486536E-14    2
  -1.75354587E4  -8.54472703E1   1.68641671E0  7.41579917E-2 -4.60243869E-5    3
  1.47710288E-8-2.08194235E-12  -9.79181859E3   2.93854842E1                   4
C6H12OOH1-5             H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.27895146E1  2.89701974E-2 -9.88728294E-6  1.53286753E-9-8.88486536E-14    2
  -1.75354587E4  -8.54472703E1   1.68641671E0  7.41579917E-2 -4.60243869E-5    3
  1.47710288E-8-2.08194235E-12  -9.79181859E3   2.93854842E1                   4
C6H12OOH2-1             H  13O   2C   6     G     300.0    5000.0  1401.0      1
   2.45762848E1  2.74155943E-2  -9.3419275E-6  1.44672243E-9-8.37892149E-14    2
  -1.83833669E4  -9.64998314E1   1.31040625E0   8.3785935E-2 -6.33256017E-5    3
  2.61959071E-8-4.70591646E-12  -1.04743384E4   2.78308467E1                   4
C6H12OOH2-3             H  13O   2C   6     G     300.0    5000.0  1400.0      1
   2.36864065E1   2.8011599E-2 -9.51112192E-6  1.46925773E-9-8.49419123E-14    2
  -1.93009261E4  -9.14434796E1   2.40855093E0  7.87360508E-2 -5.74293964E-5    3
  2.33017506E-8-4.17826749E-12  -1.19575914E4      2.26056E1                   4
C6H12OOH2-5             H  13O   2C   6     G     300.0    5000.0  1408.0      1
   2.31606108E1  2.80956105E-2 -9.46369942E-6  1.45419355E-9-8.37638675E-14    2
  -1.93769881E4  -8.79771551E1   2.05906149E0   7.6267825E-2  -5.1334664E-5    3
  1.82714353E-8-2.79595943E-12  -1.19795243E4   2.57023367E1                   4
C6H12OOH2-6             H  13O   2C   6     G     300.0    5000.0  1402.0      1
    2.4303907E1  2.76074809E-2 -9.39913372E-6  1.45469578E-9-8.42141472E-14    2
  -1.82748634E4  -9.50976951E1  7.58445787E-1   8.5395275E-2 -6.56626784E-5    3
  2.76941501E-8-5.05141105E-12  -1.03382836E4   3.04764866E1                   4
C6H12OOH3-1             H  13O   2C   6     G     300.0    5000.0  1402.0      1
    2.4303907E1  2.76074809E-2 -9.39913372E-6  1.45469578E-9-8.42141472E-14    2
  -1.82748634E4  -9.50976951E1  7.58445787E-1   8.5395275E-2 -6.56626784E-5    3
  2.76941501E-8-5.05141105E-12  -1.03382836E4   3.04764866E1                   4
C6H12OOH3-4             H  13O   2C   6     G     300.0    5000.0  1400.0      1
   2.36864065E1   2.8011599E-2 -9.51112192E-6  1.46925773E-9-8.49419123E-14    2
  -1.93009261E4  -9.14434796E1   2.40855093E0  7.87360508E-2 -5.74293964E-5    3
  2.33017506E-8-4.17826749E-12  -1.19575914E4      2.26056E1                   4
C6H12OOH3-5             H  13O   2C   6     G     300.0    5000.0  1408.0      1
   2.31606108E1  2.80956105E-2 -9.46369942E-6  1.45419355E-9-8.37638675E-14    2
  -1.93769881E4  -8.79771551E1   2.05906149E0   7.6267825E-2  -5.1334664E-5    3
  1.82714353E-8-2.79595943E-12  -1.19795243E4   2.57023367E1                   4
C6H12OOH3-6             H  13O   2C   6     G     300.0    5000.0  1402.0      1
    2.4303907E1  2.76074809E-2 -9.39913372E-6  1.45469578E-9-8.42141472E-14    2
  -1.82748634E4  -9.50976951E1  7.58445787E-1   8.5395275E-2 -6.56626784E-5    3
  2.76941501E-8-5.05141105E-12  -1.03382836E4   3.04764866E1                   4
C6H12O1-2               H  12O   1C   6     G     300.0    5000.0  1418.0      1
   2.09805167E1  2.61456832E-2 -8.79805046E-6  1.35121022E-9-7.78107305E-14    2
  -2.91288001E4  -8.58543744E1   -5.5144646E0  9.32860106E-2 -7.48234241E-5    3
  3.14726957E-8-5.47818653E-12  -2.05619041E4   5.44251123E1                   4
C6H12O2-3               H  12O   1C   6     G     300.0    5000.0  1425.0      1
   2.14267419E1  2.53570884E-2  -8.4389421E-6  1.28635266E-9-7.36861092E-14    2
  -3.11200022E4  -8.88899542E1  -5.48903069E0  9.57628173E-2 -7.97925253E-5    3
   3.4622676E-8 -6.1325528E-12   -2.2669774E4    5.2779839E1                   4
C6H12O1-3               H  12O   1C   6     G     300.0    5000.0  1412.0      1
    1.9971263E1   2.7573913E-2 -9.32003684E-6  1.43550676E-9-8.28258579E-14    2
  -2.98941235E4   -8.2071919E1  -9.30690272E0  1.05661834E-1 -9.15226932E-5    3
  4.19710604E-8-7.93317588E-12  -2.07289547E4   7.17242463E1                   4
C6H12O2-4               H  12O   1C   6     G     300.0    5000.0  1417.0      1
   2.02636052E1  2.68979324E-2  -8.9945795E-6   1.3752709E-9-7.89420963E-14    2
  -3.18094991E4  -8.41882197E1  -9.07627053E0  1.07195585E-1 -9.52832812E-5    3
  4.44412655E-8-8.44139418E-12  -2.28654935E4   6.91430031E1                   4
C6H12O1-4               H  12O   1C   6     G     300.0    5000.0  1451.0      1
   1.87967925E1  2.75535527E-2 -9.00773471E-6  1.35601108E-9-7.69845934E-14    2
  -3.93188369E4  -7.58314563E1  -8.28555409E0  9.81991002E-2 -7.95067714E-5    3
  3.33261655E-8-5.64071074E-12  -3.08725234E4    6.6645932E1                   4
C6H12O2-5               H  12O   1C   6     G     300.0    5000.0  1418.0      1
   1.96691261E1  2.77995312E-2 -9.30042882E-6  1.42255648E-9-8.16795227E-14    2
  -4.19218217E4  -8.31385721E1  -1.11058089E1  1.11499071E-1 -9.84955542E-5    3
  4.55215902E-8-8.56537895E-12  -3.25058835E4   7.78457607E1                   4
C6H12O1-5               H  12O   1C   6     G     300.0    5000.0  1411.0      1
   1.99284959E1   2.8696741E-2 -9.76084126E-6  1.50996782E-9-8.73930262E-14    2
  -4.25228305E4   -8.8642698E1   -1.1703103E1  1.11250034E-1 -9.45049673E-5    3
  4.22747595E-8-7.81949941E-12  -3.24616712E4   7.81181547E1                   4
C6H12O3-4               H  12O   1C   6     G     300.0    5000.0  1425.0      1
   2.14267419E1  2.53570884E-2  -8.4389421E-6  1.28635266E-9-7.36861092E-14    2
  -3.11200022E4  -8.95794358E1  -5.48903069E0  9.57628173E-2 -7.97925253E-5    3
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C6H11-3D1OOH            H  12O   2C   6     G     300.0    5000.0  1395.0      1
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C6H111O2-1              H  11O   2C   6     G     300.0    5000.0  1395.0      1
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C6H112O2-6              H  11O   2C   6     G     298.0    5000.0 1393.07      1
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C6H112O2-1              H  11O   2C   6     G     300.0    5000.0  1396.0      1
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C6H113O2-2              H  11O   2C   6     G     298.0    5000.0 1389.11      1
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C6H112O2-4              H  11O   2C   6     G     298.0    5000.0 1386.83      1
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C6H113O2-1              H  11O   2C   6     G     298.0    5000.0 1395.25      1
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C6H112O2-5              H  11O   2C   6     G     298.0    5000.0 1402.95      1
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C6H111OO2-4             H  11O   2C   6     G     100.0    5000.0  908.81      1
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C6H113OO2-5             H  11O   2C   6     G     100.0    5000.0  914.03      1
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C6H11O1-2O-5            H  11O   2C   6     G     100.0    5000.0   896.2      1
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C6H11O2-3O-1            H  11O   2C   6     G     100.0    5000.0 1201.77      1
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C6H102OOH4-6            H  11O   2C   6     G     298.0    5000.0 1389.49      1
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C6H102OOH6-5            H  11O   2C   6     G     298.0    5000.0  1371.4      1
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C6H102OOH5-6            H  11O   2C   6     G     298.0    5000.0 1405.48      1
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C6H103OOH2-1            H  11O   2C   6     G     298.0    5000.0 1391.81      1
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  2.12819029E-8-3.57827969E-12    5.0921426E3    3.2074145E1                   4
C6H101OOH3-1            H  11O   2C   6     G     300.0    5000.0  1400.0      1
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C6H101OOH4-1            H  11O   2C   6     G     300.0    5000.0  1401.0      1
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C6H101OOH4-2            H  11O   2C   6     G     300.0    5000.0  1403.0      1
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C6H101OOH5-2            H  11O   2C   6     G     300.0    5000.0  1403.0      1
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C6H101-3,4OOH           H  12O   4C   6     G     300.0    5000.0  1400.0      1
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C6H101-3,5OOH           H  12O   4C   6     G     300.0    5000.0  1400.0      1
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C6H101-3,6OOH           H  12O   4C   6     G     300.0    5000.0  1392.0      1
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C6H103-1,2OOH           H  12O   4C   6     G     100.0    5000.0 1175.39      1
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C6H102-4,5OOH           H  12O   4C   6     G     100.0    5000.0 1163.02      1
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C6H102-4,6OOH           H  12O   4C   6     G     100.0    5000.0 1062.03      1
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C6H101O-3-4OOH          H  11O   3C   6     G     300.0    5000.0  1420.0      1
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C6H101O-3-5OOH          H  11O   3C   6     G     300.0    5000.0  1420.0      1
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C6H101O-3-6OOH          H  11O   3C   6     G     300.0    5000.0  1404.0      1
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C6H103O-2-1OOH          H  11O   3C   6     G     100.0    5000.0 1339.81      1
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C6H102O-4-5OOH          H  11O   3C   6     G     100.0    5000.0 1320.16      1
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C6H102O-4-6OOH          H  11O   3C   6     G     100.0    5000.0 1216.47      1
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C6H102O4-5              H  10O   1C   6     G     100.0    5000.0  902.37      1
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C6H102O4-6              H  10O   1C   6     G     100.0    5000.0  912.25      1
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C6H102O5-6              H  10O   1C   6     G     100.0    5000.0  892.18      1
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C6H101O2-4              H  10O   1C   6     G     300.0    5000.0  1416.0      1
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C6H101O4-5              H  10O   1C   6     G     300.0    5000.0  1419.0      1
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C6H101O4-6              H  10O   1C   6     G     300.0    5000.0  1416.0      1
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C6H101O5-6              H  10O   1C   6     G     300.0    5000.0  1425.0      1
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C6H103O1-2              H  10O   1C   6     G     300.0    5000.0  1425.0      1
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VTHF                    H  10O   1C   6     G     298.0    5000.0 1377.11      1
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EDHF                    H  10O   1C   6     G     298.0    5000.0 1221.88      1
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ETES1                   H  10O   1C   6     G     298.0    5000.0 1422.21      1
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MVOX                    H  10O   1C   6     G     298.0    5000.0 1409.02      1
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C6H101OOH3-5O2          H  11O   4C   6     G     300.0    5000.0  1400.0      1
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C6H101OOH4-6O2          H  11O   4C   6     G     300.0    5000.0  1404.0      1
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C6H101OOH6-3O2          H  11O   4C   6     G     300.0    5000.0  1390.0      1
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C6H102OOH4-6O2          H  11O   4C   6     G     298.0    5000.0 1390.23      1
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C6H102OOH6-5O2          H  11O   4C   6     G     298.0    5000.0 1404.12      1
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C6H101OOH4-3O2          H  11O   4C   6     G     300.0    5000.0  1400.0      1
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C6H101OOH5-4O2          H  11O   4C   6     G     300.0    5000.0  1412.0      1
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C6H101OOH6-5O2          H  11O   4C   6     G     300.0    5000.0  1404.0      1
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C6H102OOH5-6O2          H  11O   4C   6     G     298.0    5000.0 1404.12      1
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C6H103OOH2-1O2          H  11O   4C   6     G     298.0    5000.0 1392.31      1
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C6H101OOH3-4O2          H  11O   4C   6     G     300.0    5000.0  1400.0      1
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C6H101OOH4-5O2          H  11O   4C   6     G     300.0    5000.0  1412.0      1
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C6H101OOH5-6O2          H  11O   4C   6     G     300.0    5000.0  1404.0      1
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C6H102OOH4-5O2          H  11O   4C   6     G     298.0    5000.0 1399.16      1
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C6H102OOH6-4O2          H  11O   4C   6     G     298.0    5000.0 1390.23      1
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C6H101OOH3-6O2          H  11O   4C   6     G     300.0    5000.0  1390.0      1
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C6H101OOH5-3O2          H  11O   4C   6     G     300.0    5000.0  1400.0      1
   2.60829766E1  2.63000424E-2 -8.99392041E-6  1.39627332E-9-8.10096689E-14    2
    -2.202644E4  -9.75249934E1   2.50241018E0  8.23375954E-2 -5.99387796E-5    3
    2.246597E-8-3.42215274E-12  -1.39743273E4   2.87084668E1                   4
C6H101OOH6-4O2          H  11O   4C   6     G     300.0    5000.0  1404.0      1
   2.73808954E1  2.50332777E-2 -8.52046483E-6  1.31855956E-9-7.63300748E-14    2
  -2.14206017E4  -1.05550332E2   3.01243168E0  8.65102458E-2  -6.8612558E-5    3
  2.82393285E-8-4.70770578E-12  -1.34609185E4   2.36273063E1                   4
C6H102OOH5-4O2          H  11O   4C   6     G     300.0    5000.0  1400.0      1
   2.55303224E1   2.6688739E-2 -9.10990503E-6  1.41247307E-9-8.18752186E-14    2
  -2.29258845E4  -9.56739213E1   2.88652262E0  7.96521901E-2 -5.62776019E-5    3
  2.04407381E-8-3.01549975E-12  -1.51052253E4   2.58513605E1                   4
C6H103OOH1-2O2          H  11O   4C   6     G     298.0    5000.0 1392.31      1
   1.72750437E1  4.03613477E-2 -1.67414483E-5  3.16581908E-9-2.23879755E-13    2
  -1.72022321E4  -4.91106379E1   2.35950843E0  8.31520236E-2 -6.29809024E-5    3
  2.56331419E-8-4.39268729E-12  -1.30551146E4   2.78022165E1                   4
NC6D1KET35              H  10O   3C   6     G     298.0    5000.0 1376.97      1
   1.58775085E1  3.61695241E-2 -1.49838347E-5  2.83124205E-9 -2.0011862E-13    2
   -3.7166288E4  -4.70051748E1   3.68234675E0   6.9070892E-2 -4.77548371E-5    3
  1.71862444E-8-2.55108905E-12  -3.36196524E4   1.65208011E1                   4
NC6D1KET46              H  10O   3C   6     G     298.0    5000.0  1358.9      1
   1.46512833E1  3.72331837E-2 -1.53801285E-5  2.90055645E-9-2.04747921E-13    2
  -3.53310204E4  -3.91679318E1   3.76983012E0  6.39998053E-2 -3.83887863E-5    3
  1.07588894E-8-1.00331121E-12  -3.19713955E4   1.83140442E1                   4
NC6D1KET63              H  10O   3C   6     G     300.0    5000.0  1401.0      1
   2.37070177E1  2.36281424E-2 -8.07133939E-6  1.25241902E-9-7.26474531E-14    2
  -3.63202717E4  -8.90415434E1   2.87902754E0  6.87871609E-2 -4.32796386E-5    3
  1.26400261E-8-1.27894546E-12  -2.88521717E4   2.38653276E1                   4
NC6D2KET46              H  10O   3C   6     G     298.0    5000.0 1368.37      1
   1.38553753E1  3.91514005E-2 -1.64885845E-5  3.15051732E-9-2.24426072E-13    2
  -3.57973917E4  -3.55080068E1   3.83722373E0  6.19440319E-2 -3.36334654E-5    3
  7.50375782E-9-2.87664293E-13  -3.25398979E4   1.80369162E1                   4
NC6D2KET65              H  10O   3C   6     G     298.0    5000.0 1398.45      1
   1.75506456E1  3.64360347E-2 -1.56589164E-5   3.0339157E-9-2.18260897E-13    2
  -3.41651593E4  -5.53732426E1 -6.60033628E-1  8.96365214E-2 -7.46215666E-5    3
  3.26174926E-8-5.91413039E-12  -2.91608319E4   3.82629776E1                   4
NC6D1KET43              H  10O   3C   6     G     298.0    5000.0 1357.71      1
   1.45506954E1  3.74767907E-2 -1.55206171E-5  2.93217012E-9-2.07232332E-13    2
  -3.52824275E4  -3.90398087E1   4.07989252E0  6.24926083E-2 -3.59359068E-5    3
  9.16859955E-9-6.39455926E-13  -3.19903895E4   1.65086013E1                   4
NC6D1KET54              H  10O   3C   6     G     298.0    5000.0  1409.1      1
   1.73444726E1  3.55924214E-2 -1.49991183E-5  2.86747785E-9-2.04355479E-13    2
  -3.65183564E4  -5.33991368E1 -2.56789576E-1  9.00266994E-2 -7.90727699E-5    3
  3.69576733E-8-7.11864265E-12  -3.19190513E4    3.6151903E1                   4
NC6D1KET65              H  10O   3C   6     G     298.0    5000.0 1400.89      1
   1.84567433E1  3.55175035E-2   -1.527723E-5  2.96185746E-9-2.13179641E-13    2
  -3.33329388E4  -6.00765855E1 -9.81489194E-1  9.33430853E-2 -8.05927877E-5    3
  3.63331554E-8-6.73898071E-12  -2.80768499E4   3.95355905E1                   4
NC6D2KET56              H  10O   3C   6     G     298.0    5000.0 1394.83      1
   1.64302902E1  3.66711968E-2 -1.54958364E-5  2.96819317E-9-2.11831965E-13    2
  -3.53080407E4  -4.82897843E1   2.7339661E-1  8.34055155E-2 -6.65703426E-5    3
  2.81407579E-8-4.95999658E-12  -3.08402561E4   3.49150263E1                   4
NC6D3KET21              H  10O   3C   6     G     298.0    5000.0 1397.23      1
   1.68447575E1  3.70666937E-2 -1.58957756E-5  3.07519409E-9-2.20992655E-13    2
  -3.50661408E4  -5.09950497E1 -3.16433317E-1   8.6610197E-2 -7.01199032E-5    3
  2.99534788E-8-5.34273507E-12  -3.03008192E4   3.74375105E1                   4
NC6D1KET34              H  10O   3C   6     G     298.0    5000.0 1396.61      1
   1.75286075E1  3.65288037E-2 -1.57172811E-5  3.04752666E-9-2.19351298E-13    2
   -3.6339323E4  -5.56441764E1  1.59341764E-1  8.65222868E-2 -7.02401114E-5    3
  2.99694779E-8-5.32978505E-12  -3.15045657E4    3.3907681E1                   4
NC6D1KET45              H  10O   3C   6     G     298.0    5000.0 1396.36      1
   1.71554635E1  3.59945941E-2 -1.52310103E-5  2.92032067E-9-2.08562738E-13    2
   -3.6607858E4  -5.31469859E1  4.45701514E-1  8.48150749E-2  -6.9183894E-5    3
  2.98199921E-8-5.33801904E-12  -3.20263156E4   3.27495798E1                   4
NC6D1KET56              H  10O   3C   6     G     298.0    5000.0 1397.78      1
   1.73475977E1  3.57327923E-2  -1.5103868E-5  2.89396532E-9-2.06587607E-13    2
  -3.44799655E4  -5.30550776E1  -4.9273496E-2  8.71139808E-2 -7.25342963E-5    3
  3.18430364E-8-5.77984592E-12  -2.97560366E4   3.61937777E1                   4
NC6D2KET45              H  10O   3C   6     G     298.0    5000.0  1394.1      1
   1.66239655E1  3.74447025E-2 -1.60975835E-5  3.11928912E-9-2.24410096E-13    2
  -3.71720635E4  -5.09538746E1  4.80450969E-1  8.28169257E-2   -6.426953E-5    3
  2.62531204E-8-4.50452451E-12  -3.25884911E4   3.26316845E1                   4
NC6D2KET64              H  10O   3C   6     G     298.0    5000.0 1365.02      1
   1.46713226E1  3.78584472E-2 -1.58231664E-5  3.00839548E-9-2.13582659E-13    2
  -3.35388497E4  -3.89798722E1    2.7144707E0  6.75933353E-2  -4.1979004E-5    3
  1.24126046E-8-1.31243953E-12  -2.98655648E4    2.4095663E1                   4
NC6D1KET36              H  10O   3C   6     G     298.0    5000.0 1371.39      1
    1.4766864E1  3.82245145E-2 -1.61029302E-5  3.07767632E-9-2.19289137E-13    2
  -3.49675126E4  -4.02419776E1   3.51756678E0   6.5638177E-2 -3.95779661E-5    3
    1.119763E-8-1.10665114E-12  -3.14560959E4   1.93019772E1                   4
NC6D1KET53              H  10O   3C   6     G     300.0    5000.0  1411.0      1
    2.2391758E1   2.3978858E-2 -8.02699798E-6  1.22859438E-9-7.05856513E-14    2
  -3.93640534E4  -8.11308989E1   3.55401774E0  6.53482646E-2 -4.07972543E-5    3
  1.20575547E-8-1.25935513E-12   -3.2680798E4   2.07684737E1                   4
NC6D1KET64              H  10O   3C   6     G     298.0    5000.0 1383.05      1
   1.68975114E1  3.49956671E-2  -1.4460047E-5   2.7279708E-9-1.92627797E-13    2
  -3.41939384E4  -5.19454388E1   2.53367344E0   7.5896471E-2 -5.80295706E-5    3
   2.3427279E-8-3.91608987E-12   -3.0190278E4   2.21894996E1                   4
NC6D2KET54              H  10O   3C   6     G     298.0    5000.0 1366.25      1
   1.36976814E1  3.85994234E-2 -1.60564921E-5  3.04211468E-9-2.15416279E-13    2
  -3.59324672E4  -3.43913706E1    3.8167791E0  6.19778683E-2 -3.49554577E-5    3
  8.78062842E-9-6.22166367E-13  -3.27977305E4   1.81210008E1                   4
NC6D3KET12              H  10O   3C   6     G     298.0    5000.0 1373.21      1
   1.48270532E1  3.80621031E-2 -1.60078516E-5   3.0562089E-9-2.17601657E-13    2
  -3.28069473E4  -4.05882015E1   2.68913568E0   6.8784534E-2 -4.39774288E-5    3
   1.3827604E-8-1.68003473E-12  -2.91109003E4   2.32926224E1                   4
NC6D1KET34O             H   9O   2C   6     G     300.0    5000.0  1373.0      1
   2.19525973E1   2.1813589E-2 -7.65309052E-6  1.20870684E-9-7.09734586E-14    2
  -2.18533662E4  -8.40830581E1   3.75329347E0  5.57792954E-2 -2.75526882E-5    3
  4.03379767E-9 4.25875743E-13  -1.47067395E4   1.66453713E1                   4
NC6D1KET35O             H   9O   2C   6     G     300.0    5000.0  1424.0      1
   2.21267316E1  2.07807343E-2 -7.10781913E-6  1.10443414E-9-6.41427981E-14    2
  -2.24246132E4  -8.55639331E1   5.06760022E0  5.02578503E-2 -1.94194905E-5    3
 -1.51329527E-9 1.78606654E-12  -1.56444688E4   9.43115563E0                   4
NC6D1KET36O             H   9O   2C   6     G     300.0    5000.0  1545.0      1
   2.02152009E1  2.28410853E-2 -7.90817561E-6   1.2381612E-9-7.22687091E-14    2
  -1.99296648E4  -7.42679659E1   4.29576151E0  4.85756312E-2    -1.64732E-5    3
 -2.74867789E-9 1.91261829E-12   -1.3335041E4   1.51612287E1                   4
NC6D1KET43O             H   9O   2C   6     G     300.0    5000.0  1375.0      1
   2.44746788E1  2.00440101E-2  -7.1289824E-6  1.13619414E-9 -6.7137132E-14    2
  -2.23391335E4  -9.99526847E1   1.76689193E0   6.7945975E-2 -4.35183002E-5    3
  1.26903552E-8-1.29669157E-12  -1.39819379E4   2.37592523E1                   4
NC6D1KET45O             H   9O   2C   6     G     300.0    5000.0  1375.0      1
   2.44746788E1  2.00440101E-2  -7.1289824E-6  1.13619414E-9 -6.7137132E-14    2
  -2.23391335E4  -9.99526847E1   1.76689193E0   6.7945975E-2 -4.35183002E-5    3
  1.26903552E-8-1.29669157E-12  -1.39819379E4   2.37592523E1                   4
NC6D1KET46O             H   9O   2C   6     G     300.0    5000.0  1502.0      1
   2.38633488E1  2.04701125E-2 -7.25619181E-6  1.15406049E-9-6.80991715E-14    2
  -2.10034676E4  -9.69571984E1   2.89197921E0  5.76630374E-2 -2.49833814E-5    3
 1.12274041E-10 1.62758638E-12  -1.27021771E4   1.95906577E1                   4
NC6D1KET53O             H   9O   2C   6     G     300.0    5000.0  1658.0      1
   1.89715667E1  2.26908545E-2 -7.66166084E-6   1.1850464E-9-6.87335366E-14    2
  -2.07849057E4  -6.52927731E1   4.21209578E0  5.69392216E-2 -3.59305178E-5    3
  1.10130267E-8-1.27399181E-12  -1.59865499E4   1.35415588E1                   4
NC6D1KET54O             H   9O   2C   6     G     300.0    5000.0  1380.0      1
   2.16160717E1  2.17982072E-2 -7.58013084E-6  1.19019291E-9-6.96046628E-14    2
  -2.20524207E4   -8.1299942E1   3.69650045E0  5.62794963E-2 -2.90782436E-5    3
  5.11964979E-9 1.92234545E-13  -1.51485078E4   1.74622893E1                   4
NC6D1KET56O             H   9O   2C   6     G     300.0    5000.0  1684.0      1
   1.86658424E1     2.67188E-2 -9.92603572E-6  1.63340415E-9-9.87955694E-14    2
  -1.85099984E4  -6.48630541E1   5.44592202E0  4.71329752E-2 -1.51652841E-5    3
 -2.28005443E-9 1.44179909E-12  -1.31580565E4   9.53046175E0                   4
NC6D1KET63O             H   9O   2C   6     G     300.0    5000.0  1420.0      1
   2.20951173E1  2.05352103E-2 -6.96157983E-6  1.07509343E-9-6.21675019E-14    2
  -1.88721448E4  -8.41772576E1   4.28406007E0  5.61212459E-2 -3.00795468E-5    3
  5.57217963E-9  1.8801274E-13  -1.22538444E4   1.33316497E1                   4
NC6D1KET64O             H   9O   2C   6     G     300.0    5000.0  1442.0      1
   2.19192279E1  2.04828515E-2  -6.8997192E-6  1.06093612E-9-6.11627876E-14    2
  -1.87553812E4  -8.30124878E1   3.94678629E0  5.79439888E-2 -3.34693029E-5    3
   7.8392695E-9 -3.2115557E-13  -1.22337565E4   1.48263914E1                   4
NC6D1KET65O             H   9O   2C   6     G     300.0    5000.0  1379.0      1
   2.27745032E1  2.11053111E-2 -7.40692348E-6  1.17012298E-9 -6.8721485E-14    2
  -1.88099722E4  -8.79594292E1   2.90570112E0  6.10528591E-2 -3.49254516E-5    3
  8.14300999E-9-3.93309021E-13  -1.13194944E4    2.0950215E1                   4
C6H10D24                H  10C   6          G     298.0    5000.0 1407.73      1
    1.0486668E1  3.31371207E-2 -1.34646561E-5  2.50965553E-9-1.75650181E-13    2
   3.91038115E2  -2.86879919E1  -2.48902434E0  7.31352641E-2  -6.0185609E-5    3
  2.70761232E-8-5.08429316E-12   3.77925383E3   3.73441347E1                   4
C6H10D14                H  10C   6          G     300.0    5000.0  1393.0      1
   1.55241178E1  2.40819766E-2 -8.19325181E-6  1.26730804E-9-7.33300825E-14    2
   1.24995741E3  -5.49383757E1 -1.53027432E-2  5.84063974E-2 -3.69940602E-5    3
  1.22569324E-8 -1.6916745E-12   6.89669928E3   2.93057493E1                   4
C6H101-5                H  10C   6          G     300.0    5000.0  1413.0      1
    1.6045603E1  2.34774145E-2 -7.85797929E-6  1.20200542E-9-6.90100029E-14    2
   2.12537311E3  -5.88374564E1  -1.21046499E0  6.52237687E-2 -4.72810055E-5    3
  1.87420247E-8-3.20571254E-12   7.95992435E3   3.33283154E1                   4
C6H10D13                H  10C   6          G     300.0    5000.0  1404.0      1
   1.75504646E1  2.21926053E-2 -7.50506014E-6  1.15615134E-9  -6.670859E-14    2
  -1.59499902E3  -6.76932799E1  -2.63290458E0  7.51848145E-2 -6.19659522E-5    3
  2.69142716E-8-4.73807562E-12   4.82956938E3   3.86285109E1                   4
P13DE1J                 H   7C   5          G     300.0    5000.0  1389.0      1
   1.43676393E1  1.51875082E-2 -5.11240132E-6 7.85949902E-10-4.53096515E-14    2
    3.2270426E4  -5.08239841E1 -2.65603577E-1  5.33899838E-2 -4.46001583E-5    3
  1.97683938E-8-3.56869556E-12   3.69958958E4   2.64183705E1                   4
CVCCJCVCC               H   9C   6          G     300.0    5000.0  1395.0      1
   1.52013029E1  2.22309311E-2 -7.55483869E-6  1.16770751E-9-6.75339847E-14    2
   1.82132003E4  -5.30955724E1 -5.12981942E-1  5.84647556E-2 -3.97047814E-5    3
  1.42793863E-8-2.14353635E-12   2.37511292E4   3.15228532E1                   4
CVCCVCCOJC              H   9O   1C   6     G     300.0    5000.0  1415.0      1
   2.03382957E1  1.95767387E-2 -6.55232398E-6  1.00253414E-9-5.75762883E-14    2
   4.16382964E3  -7.89350666E1  1.62097464E-2  7.29036456E-2 -6.04490535E-5    3
  2.57469469E-8-4.37967978E-12   1.05365057E4   2.79619707E1                   4
CVCCOJCVCC              H   9O   1C   6     G     300.0    5000.0  1442.0      1
   2.64248478E1  1.65594926E-2 -5.99857653E-6 9.67703203E-10-5.76643603E-14    2
   3.22633076E3  -1.17125585E2   2.74954699E0  5.90436882E-2 -2.62529972E-5    3
-5.17481127E-10  2.0198497E-12   1.24547627E4   1.41181888E1                   4
COOHCVCCVCC             H  10O   2C   6     G     300.0    5000.0  1404.0      1
   2.22998637E1  2.24376415E-2 -7.60083368E-6  1.17259806E-9-6.77370074E-14    2
  -1.28830949E4  -8.61403353E1  -2.36138934E0  8.80946251E-2 -7.56438386E-5    3
  3.34499378E-8-5.91584019E-12  -5.17316728E3   4.33672757E1                   4
COJCVCCVCC              H   9O   1C   6     G     300.0    5000.0  1673.0      1
   2.12015453E1  2.22810554E-2 -8.35158484E-6  1.38250347E-9-8.39670207E-14    2
   5.35868399E3  -8.60445846E1   3.43552705E0  5.76238381E-2 -3.08866781E-5    3
  5.94319748E-9-3.86142507E-14   1.17435958E4   1.10225582E1                   4
C6H9-A                  H   9C   6          G     300.0    5000.0  1400.0      1
   1.70842767E1  2.08842788E-2 -7.14529004E-6  1.10943563E-9-6.43676989E-14    2
   2.01166785E4  -6.39170634E1  -3.07057286E0  7.54999829E-2 -6.71873308E-5    3
  3.26685613E-8-6.63011558E-12   2.64815804E4   4.19081305E1                   4
C6H9-AOOH               H  10O   2C   6     G     300.0    5000.0  1391.0      1
    2.4670491E1  2.05432298E-2 -6.99075288E-6  1.08318953E-9-6.28062707E-14    2
  -1.10089465E4  -1.00127147E2  -2.06600474E0  8.82073643E-2 -7.31319619E-5    3
   3.0657786E-8-5.13959675E-12  -2.33411854E3   4.14715805E1                   4
C6H9-13-2               H   9C   6          G     100.0    5000.0  983.16      1
   1.21783916E1  2.69043937E-2 -9.63102666E-6  1.69265074E-9-1.16160079E-13    2
   2.51771241E4  -3.52097107E1   1.24989415E0  5.16259355E-2 -1.72294213E-5    3
 -1.35783538E-8 8.96029301E-12   2.82801097E4   2.21805526E1                   4
C6H9-13-3               H   9C   6          G     100.0    5000.0  983.16      1
   1.21783916E1  2.69043937E-2 -9.63102666E-6  1.69265074E-9-1.16160079E-13    2
   2.51771241E4  -3.52097107E1   1.24989415E0  5.16259355E-2 -1.72294213E-5    3
 -1.35783538E-8 8.96029301E-12   2.82801097E4   2.21805526E1                   4
C6H9-13-6               H   9C   6          G     100.0    5000.0  981.66      1
   1.34534735E1  2.46238821E-2 -8.90260895E-6  1.62162572E-9-1.15321982E-13    2
    2.5301905E4  -4.10364587E1   1.37849188E0  4.56519662E-2   2.0167226E-6    3
 -3.50305457E-8 1.66645975E-11   2.90301271E4   2.39092207E1                   4
C6H9-13-6O2             H   9O   2C   6     G     100.0    5000.0 1286.86      1
   1.51357075E1  3.11271601E-2  -1.2471976E-5  2.25498104E-9-1.53580332E-13    2
    8.2074494E3  -4.51659485E1  2.53328578E-1  7.73860375E-2 -6.63918772E-5    3
  3.01881732E-8-5.58012418E-12   1.20378096E4   3.03865436E1                   4
I3C7D1                  H  14C   7          G     300.0    5000.0  1396.0      1
   2.10866295E1  3.10814566E-2 -1.05721308E-5  1.63503532E-9-9.45995089E-14    2
  -1.93045651E4   -8.4790201E1  -1.03521687E0   8.2358509E-2 -5.64065971E-5    3
  2.04983697E-8-3.11118849E-12  -1.15337858E4   3.42388638E1                   4
I3C7D1-3                H  13C   7          G     300.0    5000.0  1394.0      1
   2.01497627E1   2.9840135E-2   -1.016338E-5  1.57328426E-9 -9.1087816E-14    2
  -2.94802051E3   -7.9403563E1 -5.36321263E-1   7.6139148E-2 -4.95194902E-5    3
  1.67539908E-8-2.34186414E-12   4.47868989E3   3.24778725E1                   4
I3C7D1-3O               H  13O   1C   7     G     300.0    5000.0  1383.0      1
    2.7495554E1  2.69518124E-2 -9.44434919E-6  1.49038654E-9-8.74625111E-14    2
  -1.65197429E4  -1.19607303E2    2.1702362E0  8.09544571E-2 -5.15131831E-5    3
  1.55563926E-8-1.75593411E-12  -7.22213886E3   1.82155766E1                   4
C2H3COCH2               H   5O   1C   4     G     100.0    5000.0  920.92      1
   1.30166268E1  9.83430014E-3 -2.17560742E-6 3.06839868E-10-2.11605877E-14    2
  -7.32165027E2  -4.13645786E1   1.98671687E0  3.59121188E-2 -9.09350318E-6    3
 -2.04262204E-8 1.25951122E-11   2.22507091E3   1.59656851E1                   4
C6H12-1                 H  12C   6          G     300.0    5000.0  1395.0      1
   1.76905422E1  2.68441487E-2 -9.13156375E-6  1.41232697E-9-8.17176824E-14    2
  -1.42334221E4  -6.73458377E1 -4.31408744E-1  6.73523744E-2 -4.35393302E-5    3
  1.46846079E-8-2.05130941E-12  -7.71721826E3   3.06936815E1                   4
C6H12-2                 H  12C   6          G     300.0    5000.0  1392.0      1
    1.6953186E1  2.74821616E-2 -9.35401399E-6   1.4472781E-9-8.37614292E-14    2
  -1.51419469E4  -6.36045346E1 -1.54649905E-1  6.39441414E-2 -3.82402657E-5    3
  1.15621719E-8-1.40422571E-12  -8.79639716E3    2.9606706E1                   4
C6H12-3                 H  12C   6          G     300.0    5000.0  1386.0      1
   1.70313735E1  2.73270171E-2 -9.28504971E-6  1.43523149E-9-8.30182955E-14    2
  -1.52946516E4  -6.53604274E1 -4.51337943E-1  6.39334722E-2 -3.83691728E-5    3
  1.25008348E-8 -1.9380607E-12  -8.72294042E3   3.02019568E1                   4
C6H111-1                H  11C   6          G     300.0    5000.0  1397.0      1
   1.76396489E1  2.42147792E-2 -8.19750342E-6  1.26374532E-9-7.29547899E-14    2
   1.55705009E4  -6.51885447E1  4.05091742E-1  6.45823606E-2 -4.46678419E-5    3
  1.64164847E-8-2.51356597E-12   2.15694035E4   2.73730849E1                   4
C6H111-2                H  11C   6          G     300.0    5000.0  1392.0      1
   1.73843784E1  2.49587142E-2 -8.56865017E-6  1.33344337E-9-7.74840664E-14    2
   1.36680556E4  -6.41256465E1  3.42329581E-1  6.32251837E-2 -4.17414625E-5    3
  1.46638977E-8-2.18217603E-12   1.98292126E4    2.8095572E1                   4
C6H111-3                H  11C   6          G     300.0    5000.0  1397.0      1
   1.73694537E1  2.49922516E-2 -8.49301336E-6  1.31272289E-9-7.59221486E-14    2
   2.72901619E3  -6.55129899E1 -9.14871918E-1  6.73523602E-2 -4.61644037E-5    3
  1.66552125E-8-2.49204834E-12    9.1349081E3   3.28438214E1                   4
C6H111-4                H  11C   6          G     298.0    5000.0 1360.18      1
   9.18966331E0  3.66910422E-2 -1.48664074E-5  2.76527694E-9-1.93253061E-13    2
   1.28071307E4  -1.59746624E1  7.95867376E-1  5.71228406E-2 -3.21146361E-5    3
  8.44477132E-9-7.12866783E-13   1.54158463E4   2.84347352E1                   4
C6H111-5                H  11C   6          G     298.0    5000.0 1360.18      1
   9.18966331E0  3.66910422E-2 -1.48664074E-5  2.76527694E-9-1.93253061E-13    2
   1.28071307E4  -1.59746624E1  7.95867376E-1  5.71228406E-2 -3.21146361E-5    3
  8.44477132E-9-7.12866783E-13   1.54158463E4   2.84347352E1                   4
C6H111-6                H  11C   6          G     298.0    5000.0 1395.22      1
   9.93897544E0  3.64017228E-2  -1.4869012E-5  2.78092587E-9-1.95085546E-13    2
   1.41529625E4  -2.06516045E1 -3.61950732E-1  6.57935409E-2 -4.65151194E-5    3
  1.81467111E-8-3.05487535E-12   1.70347411E4   3.25272566E1                   4
C6H112-4                H  11C   6          G     298.0    5000.0 1390.92      1
   9.26137964E0  3.75025635E-2 -1.53038683E-5   2.8604296E-9-2.00575663E-13    2
    5.1794079E3  -1.98442222E1  -1.03071475E0  6.62899685E-2 -4.55234041E-5    3
  1.70966602E-8 -2.7636822E-12   8.10199987E3   3.34670241E1                   4
C6H112-5                H  11C   6          G     298.0    5000.0  1356.4      1
   8.25850619E0  3.76513832E-2 -1.52685719E-5  2.84146226E-9-1.98632977E-13    2
   1.19848732E4  -1.11361837E1   1.11229739E0  5.34516842E-2 -2.62251404E-5    3
  4.80153325E-9 9.12930835E-14   1.43323776E4   2.71782004E1                   4
C6H112-6                H  11C   6          G     298.0    5000.0 1391.03      1
   9.01023124E0  3.73592986E-2 -1.52703633E-5  2.85704168E-9-2.00466291E-13    2
    1.3329415E4  -1.58223895E1 -4.19623296E-2  6.21028332E-2 -4.05904373E-5    3
  1.44784886E-8-2.24464243E-12   1.59508161E4   3.12599538E1                   4
C6H113-1                H  11C   6          G     298.0    5000.0 1393.79      1
   9.08166706E0   3.7176319E-2 -1.51634759E-5  2.83284072E-9-1.98557335E-13    2
   1.32894102E4   -1.6202851E1  -3.3450241E-1  6.35202886E-2 -4.29069356E-5    3
  1.59971266E-8-2.59666109E-12   1.59675056E4    3.2579258E1                   4
C6H12OH-1J2             H  13O   1C   6     G     300.0    5000.0  1395.0      1
   2.05219095E1  2.85941986E-2 -9.71574333E-6  1.50154769E-9-8.68352394E-14    2
  -2.46176531E4   -7.5803961E1    1.5287969E0  7.02411418E-2 -4.39606425E-5    3
   1.4075012E-8-1.82860462E-12  -1.77206486E4   2.72130211E1                   4
C6H12OH-3J4             H  13O   1C   6     G     300.0    5000.0  1402.0      1
   2.08484871E1  2.76635202E-2  -9.2546267E-6  1.41532103E-9-8.12482889E-14    2
  -2.64909939E4  -7.79883409E1  9.46955519E-1  7.62927654E-2 -5.64637371E-5    3
  2.34273917E-8-4.25937528E-12   -1.9751109E4   2.82458327E1                   4
C6H12OH-2J1             H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.16778753E1  2.71851643E-2 -9.13650238E-6   1.4015253E-9-8.06255019E-14    2
  -2.55354913E4  -8.29034809E1   1.12882665E0   7.7933429E-2 -5.78628264E-5    3
  2.29540709E-8-3.76055142E-12  -1.86725358E4   2.64835374E1                   4
C6H12OH-2J3             H  13O   1C   6     G     300.0    5000.0  1402.0      1
   2.08484871E1  2.76635202E-2  -9.2546267E-6  1.41532103E-9-8.12482889E-14    2
  -2.64909939E4  -7.79883409E1  9.46955519E-1  7.62927654E-2 -5.64637371E-5    3
  2.34273917E-8-4.25937528E-12   -1.9751109E4   2.82458327E1                   4
C6H12OH-3J2             H  13O   1C   6     G     300.0    5000.0  1402.0      1
   2.08484871E1  2.76635202E-2  -9.2546267E-6  1.41532103E-9-8.12482889E-14    2
  -2.64909939E4  -7.79883409E1  9.46955519E-1  7.62927654E-2 -5.64637371E-5    3
  2.34273917E-8-4.25937528E-12   -1.9751109E4   2.82458327E1                   4
C6H12OH11               H  13O   1C   6     G     300.0    5000.0  1395.0      1
   2.14163606E1  2.76942085E-2 -9.37925717E-6  1.44670349E-9-8.35600368E-14    2
  -2.71963659E4  -8.24874745E1  9.07192938E-2   7.6156951E-2 -5.09279072E-5    3
  1.74374907E-8-2.41660297E-12  -1.96788017E4   3.24845807E1                   4
C6H12OH15               H  13O   1C   6     G     300.0    5000.0  1401.0      1
   2.01346588E1  2.88257235E-2 -9.77727522E-6   1.5094964E-9-8.72389912E-14    2
  -2.54201116E4   -7.3742263E1  3.80619455E-1  6.91030586E-2  -3.8112119E-5    3
  8.96740422E-9-4.94022371E-13  -1.80443266E4   3.43095451E1                   4
C6H12OH16               H  13O   1C   6     G     300.0    5000.0  1400.0      1
   2.08200514E1   2.8327361E-2 -9.62183169E-6  1.48678581E-9-8.59744234E-14    2
  -2.39770179E4  -7.78471665E1 -6.24162713E-1  7.75912052E-2 -5.25754318E-5    3
  1.84088386E-8-2.62917079E-12  -1.64618146E4   3.75891942E1                   4
C6H12OH22               H  13O   1C   6     G     100.0    5000.0 1121.57      1
   9.71575573E0  4.71848197E-2 -2.03155817E-5  3.79763662E-9-2.63302882E-13    2
  -2.45214425E4  -1.70875236E1  4.90397478E-1  8.00863368E-2 -6.43183373E-5    3
   2.9953033E-8-6.09337608E-12   -2.2452061E4   2.84779374E1                   4
C6H12OH25               H  13O   1C   6     G     100.0    5000.0 1327.29      1
   8.74811021E0  4.77085905E-2 -2.01076833E-5  3.69962052E-9-2.53192138E-13    2
  -2.24154759E4  -9.83306427E0  8.63626688E-1  7.14696646E-2 -4.69605192E-5    3
  1.71871289E-8-2.79360653E-12  -2.03224702E4   3.04374425E1                   4
C6H12OH-2O2-3           H  13O   3C   6     G     300.0    5000.0  1409.0      1
    2.5846439E1  2.81918402E-2 -9.45730022E-6  1.44892549E-9-8.32798272E-14    2
  -4.67730091E4  -1.01011767E2  8.83255595E-1  9.42865174E-2 -7.90654123E-5    3
  3.60734602E-8-6.88969793E-12  -3.88612081E4   3.03775915E1                   4
C6H12OH-1O2-2           H  13O   3C   6     G     300.0    5000.0  1404.0      1
    2.6241622E1  2.83873841E-2  -9.6426914E-6  1.49018659E-9-8.61823559E-14    2
    -4.521797E4  -1.03043492E2  8.84875599E-1  9.10253055E-2 -7.06406275E-5    3
  2.97011401E-8-5.34214724E-12  -3.67511407E4   3.19756457E1                   4
C6H12OH-3O2-4           H  13O   3C   6     G     300.0    5000.0  1409.0      1
    2.5846439E1  2.81918402E-2 -9.45730022E-6  1.44892549E-9-8.32798272E-14    2
  -4.67730091E4  -1.01011767E2  8.83255595E-1  9.42865174E-2 -7.90654123E-5    3
  3.60734602E-8-6.88969793E-12  -3.88612081E4   3.03775915E1                   4
C6H12OH-2O2-1           H  13O   3C   6     G     300.0    5000.0  1402.0      1
   2.54686767E1  2.90602674E-2 -9.87649038E-6  1.52670395E-9-8.83047932E-14    2
  -4.49289252E4  -9.84407565E1  4.50367817E-1  9.24492158E-2 -7.42023377E-5    3
  3.28563834E-8 -6.2358003E-12  -3.66642368E4   3.43402089E1                   4
C6H12OH-3O2-2           H  13O   3C   6     G     300.0    5000.0  1409.0      1
    2.5846439E1  2.81918402E-2 -9.45730022E-6  1.44892549E-9-8.32798272E-14    2
  -4.67730091E4  -1.01011767E2  8.83255595E-1  9.42865174E-2 -7.90654123E-5    3
  3.60734602E-8-6.88969793E-12  -3.88612081E4   3.03775915E1                   4
C6H12OH-1O2             H  13O   3C   6     G     100.0    5000.0  991.47      1
   1.09895699E1  5.42786854E-2 -2.44503108E-5   4.6695714E-9-3.27847341E-13    2
  -4.15843979E4   -1.7416987E1 -2.80841675E-1  9.97478471E-2 -9.32403232E-5    3
  5.09237858E-8-1.19907996E-11  -3.93495262E4    3.6859769E1                   4
C6H12OH-5O2             H  13O   3C   6     G     100.0    5000.0  914.63      1
   1.08979718E1  5.41706953E-2 -2.41082327E-5  4.56553841E-9-3.18651921E-13    2
  -3.80821994E4  -1.70788004E1 -4.60399394E-1  1.03845013E-1 -1.05574727E-4    3
  6.39460076E-8-1.65494357E-11  -3.60044642E4   3.67051692E1                   4
C6H12OH-6O2             H  13O   3C   6     G     100.0    5000.0  794.98      1
   9.51853203E0  5.65804513E-2 -2.54856553E-5  4.82626405E-9-3.35706195E-13    2
  -3.60847251E4  -8.91012066E0 -5.64544876E-1  1.07312238E-1 -1.21204733E-4    3
  8.50927654E-8-2.55764081E-11  -3.44814945E4   3.74218405E1                   4
C6H12OH2-2O2            H  13O   3C   6     G     100.0    5000.0  967.37      1
   2.53411969E1  2.90510972E-2 -9.67360922E-6  1.68627292E-9 -1.1795293E-13    2
  -4.90825501E4  -9.95609664E1  -1.46940505E0  1.04620701E-1 -7.21308004E-5    3
  7.01791574E-9 8.24991317E-12  -4.22441595E4   3.74299326E1                   4
C6H11OH1-1              H  12O   1C   6     G     300.0    5000.0  1402.0      1
    2.0850707E1  2.59649483E-2 -8.75914019E-6  1.34709483E-9-7.76352848E-14    2
  -3.60588089E4  -8.16868336E1  -1.00630781E0  8.21709675E-2 -6.53601491E-5    3
  2.76531294E-8-4.78368679E-12  -2.89720899E4   3.38893563E1                   4
C6H11OH1-2              H  12O   1C   6     G     300.0    5000.0  2021.0      1
   1.95654768E1  3.09739418E-2 -1.14879066E-5  1.88840277E-9-1.14135593E-13    2
  -3.34370658E4  -7.57158801E1   2.57526623E0  6.09670064E-2 -2.58285098E-5    3
   1.8364165E-9 8.07617788E-13  -2.68920756E4   1.85719297E1                   4
C6H11OH2-1              H  12O   1C   6     G     300.0    5000.0  1395.0      1
   2.27630685E1  2.37383942E-2 -7.88505762E-6  1.20168396E-9 -6.8868444E-14    2
   -3.9455919E4  -9.28318748E1  2.37457067E-1  7.41770528E-2 -4.88468114E-5    3
  1.52463286E-8-1.71947844E-12  -3.15965968E4   2.86162551E1                   4
C6H11OH2-2              H  12O   1C   6     G     300.0    5000.0  1395.0      1
    2.1680991E1  2.44275262E-2 -8.07264679E-6  1.22579493E-9 -7.0064519E-14    2
  -4.01367587E4  -8.68913364E1  2.29810064E-1   7.2482818E-2 -4.72585159E-5    3
  1.48028274E-8-1.70376648E-12  -3.26393736E4   2.87811924E1                   4
C6H11OH2-3              H  12O   1C   6     G     300.0    5000.0  1404.0      1
   1.96019208E1  2.64697331E-2 -8.81698074E-6  1.34452425E-9-7.70319133E-14    2
  -3.60351522E4  -7.37692486E1 -7.43598327E-1  7.61471354E-2 -5.54571049E-5    3
  2.13203234E-8-3.35795446E-12  -2.92307479E4   3.46570833E1                   4
C6H11OH3-1              H  12O   1C   6     G     300.0    5000.0  1405.0      1
   2.03701814E1  2.58415248E-2 -8.60632972E-6   1.3123254E-9-7.51863041E-14    2
  -3.51313132E4  -7.77077477E1 -7.46619106E-1   7.8260517E-2 -5.87213627E-5    3
  2.31751873E-8-3.72960594E-12  -2.81660708E4   3.45057817E1                   4
C6H11OH3-2              H  12O   1C   6     G     300.0    5000.0  1395.0      1
    2.1680991E1  2.44275262E-2 -8.07264679E-6  1.22579493E-9 -7.0064519E-14    2
  -4.01367587E4  -8.68913364E1  2.29810064E-1   7.2482818E-2 -4.72585159E-5    3
  1.48028274E-8-1.70376648E-12  -3.26393736E4   2.87811924E1                   4
C6H11OH1-4              H  12O   1C   6     G     100.0    5000.0 1574.47      1
   1.26519204E1  3.89506132E-2 -1.59339332E-5  2.87076176E-9-1.93037425E-13    2
  -3.20376833E4  -3.43618807E1   7.2991559E-1    6.923917E-2 -4.47901329E-5    3
  1.50892415E-8-2.13314797E-12  -2.82835474E4   2.85664207E1                   4
C6H10OH1-4,3            H  11O   1C   6     G     100.0    5000.0  1698.8      1
   1.42172431E1  3.41888388E-2 -1.37247101E-5  2.43367093E-9 -1.6140014E-13    2
  -1.58837071E4  -4.46986622E1  7.56007794E-1  6.58843726E-2 -4.17108173E-5    3
  1.34162515E-8-1.77760932E-12  -1.13100695E4   2.73775654E1                   4
C6H10OH1-4,3O           H  11O   2C   6     G     100.0    5000.0 1379.97      1
   1.49727242E1   3.7040384E-2  -1.5450866E-5  2.84077286E-9-1.94629218E-13    2
  -2.54212259E4  -4.25014228E1  1.86912478E-1  7.98990688E-2  -6.2037762E-5    3
  2.53471811E-8 -4.2719969E-12  -2.13404618E4   3.35934034E1                   4
C6H11OH1-5              H  12O   1C   6     G     100.0    5000.0 1593.58      1
   1.44932337E1  3.60968989E-2 -1.43669267E-5  2.55223235E-9-1.70156088E-13    2
  -3.12648562E4  -4.42236146E1   4.8019678E-1  7.12705979E-2 -4.74750901E-5    3
  1.64028652E-8-2.34303444E-12  -2.67986736E4   2.99110369E1                   4
C6H10OH1-5,4            H  11O   1C   6     G     100.0    5000.0 1573.82      1
    1.5851699E1  3.15035738E-2 -1.21739351E-5  2.13209273E-9-1.41096492E-13    2
  -1.49201166E4  -5.15754332E1   3.5761091E-1  7.08825787E-2 -4.97053315E-5    3
  1.80300817E-8 -2.6664427E-12  -1.00430656E4   3.02014656E1                   4
C6H10OH1-5,4O           H  11O   2C   6     G     100.0    5000.0 1417.61      1
   1.68214064E1   3.4137576E-2 -1.38417205E-5  2.51005307E-9-1.70604305E-13    2
   -2.4637169E4  -5.23780764E1 -3.92262025E-2  8.17126514E-2 -6.41820868E-5    3
  2.61840039E-8-4.34560332E-12  -1.98568351E4   3.48485313E1                   4
C6H11OH1Q2-1            H  13O   3C   6     G     300.0    5000.0  1399.0      1
   2.72749517E1  2.75110998E-2  -9.4349882E-6  1.46764304E-9-8.52703456E-14    2
  -4.07254645E4  -1.08496602E2   2.05518337E0  8.63755345E-2 -6.15387393E-5    3
  2.22630274E-8-3.24256484E-12  -3.20231199E4   2.68640265E1                   4
C6H11OH1Q2-3            H  13O   3C   6     G     300.0    5000.0  1394.0      1
    2.7632619E1  2.74105672E-2 -9.44866445E-6   1.4750832E-9-8.59267164E-14    2
  -3.94300862E4   -1.0983283E2   2.67283286E0  8.00608959E-2 -4.86283346E-5    3
  1.30739437E-8-1.07081899E-12  -3.03275105E4   2.60039604E1                   4
C6H11OH1Q2-4            H  13O   3C   6     G     300.0    5000.0  1412.0      1
    2.5454304E1  2.81820807E-2 -9.47614779E-6  1.45450255E-9-8.37211984E-14    2
  -3.84122947E4  -9.58658892E1   2.07747862E0  8.25818684E-2  -5.6841223E-5    3
  1.97097674E-8-2.69844211E-12  -3.03930829E4   2.95529406E1                   4
C6H11OH1Q2-5            H  13O   3C   6     G     300.0    5000.0  1412.0      1
    2.5454304E1  2.81820807E-2 -9.47614779E-6  1.45450255E-9-8.37211984E-14    2
  -3.84122947E4  -9.58658892E1   2.07747862E0  8.25818684E-2  -5.6841223E-5    3
  1.97097674E-8-2.69844211E-12  -3.03930829E4   2.95529406E1                   4
C6H11OH1Q2-6            H  13O   3C   6     G     300.0    5000.0  1405.0      1
    2.6705806E1  2.76109059E-2 -9.38469617E-6  1.45097796E-9-8.39435149E-14    2
  -3.73682552E4  -1.03648606E2  7.54226891E-1  9.12867447E-2 -6.93701468E-5    3
  2.71821587E-8-4.30948288E-12  -2.87386986E4   3.45128658E1                   4
C6H11OH2Q1-2            H  13O   3C   6     G     300.0    5000.0  1396.0      1
   2.59620547E1  2.86068578E-2 -9.80522866E-6  1.52435316E-9-8.85199356E-14    2
  -4.04885518E4  -9.96050854E1   2.83849485E0  8.36603288E-2 -6.07297501E-5    3
  2.33196599E-8-3.71777337E-12  -3.25174135E4   2.42885141E1                   4
C6H11OH2Q1-3            H  13O   3C   6     G     300.0    5000.0  1401.0      1
   2.54661912E1  2.85777876E-2  -9.6955982E-6  1.49686553E-9-8.64995087E-14    2
  -3.75953036E4  -9.59000841E1   2.71850548E0  8.43926925E-2 -6.29724455E-5    3
  2.49575933E-8-4.08166149E-12  -2.99508883E4   2.53379784E1                   4
C6H11OH2Q1-4            H  13O   3C   6     G     300.0    5000.0  1410.0      1
   2.51529365E1  2.85367299E-2 -9.61884594E-6  1.47878454E-9-8.52128462E-14    2
  -3.83646442E4   -9.4107331E1   1.54321587E0  8.38611314E-2  -5.8439187E-5    3
  2.07099311E-8-2.93070614E-12  -3.02834333E4   3.24593668E1                   4
C6H11OH2Q3-1            H  13O   3C   6     G     300.0    5000.0  1403.0      1
   2.94440874E1  2.56948061E-2  -8.8176409E-6  1.37250594E-9-7.97889028E-14    2
  -4.01036346E4  -1.20520545E2   2.66669096E0  8.79503466E-2 -6.29295208E-5    3
  2.21881955E-8-3.05790872E-12  -3.09193541E4   2.31536623E1                   4
C6H11OH2Q3-2            H  13O   3C   6     G     300.0    5000.0  1408.0      1
   2.64250135E1  2.74314294E-2 -9.22834546E-6   1.4165764E-9-8.15307917E-14    2
  -4.19474843E4   -1.0350413E2   1.88304033E0  9.15085912E-2 -7.43990496E-5    3
  3.18198697E-8-5.51253624E-12  -3.41323214E4   2.58498446E1                   4
C6H11OH2Q3-4            H  13O   3C   6     G     300.0    5000.0  1406.0      1
   2.72064681E1  2.71674829E-2 -9.22989186E-6  1.42679201E-9-8.25396354E-14    2
  -4.09110981E4  -1.07488662E2    2.6245043E0  8.41815777E-2 -5.87493807E-5    3
    2.049994E-8-2.82071512E-12  -3.24488662E4   2.44822194E1                   4
C6H11OH2Q3-5            H  13O   3C   6     G     300.0    5000.0  1424.0      1
   2.54123818E1  2.78687781E-2 -9.28983803E-6  1.41718629E-9-8.12123884E-14    2
  -4.01708021E4  -9.60259435E1   2.21014645E0  8.47974207E-2 -6.23210938E-5    3
  2.36224136E-8-3.59482441E-12    -3.251819E4   2.73910371E1                   4
C6H11OH2Q3-6            H  13O   3C   6     G     300.0    5000.0  1409.0      1
   2.62562255E1  2.75149618E-2 -9.24496822E-6  1.41798296E-9-8.15671514E-14    2
  -3.89159462E4  -1.01331375E2  8.30220801E-1   9.4065026E-2 -7.69223199E-5    3
  3.29127908E-8-5.68469153E-12  -3.08569779E4   3.25881145E1                   4
C6H11OH3Q2-1            H  13O   3C   6     G     300.0    5000.0  1408.0      1
   2.75072222E1  2.68825573E-2 -9.12471294E-6  1.40962721E-9-8.15090449E-14    2
  -3.96472233E4  -1.08895264E2    1.6710238E0  8.93593483E-2  -6.6603179E-5    3
  2.52755778E-8-3.84704351E-12  -3.10006182E4   2.89164645E1                   4
C6H11OH3Q2-3            H  13O   3C   6     G     300.0    5000.0  1403.0      1
   2.63498304E1  2.77585718E-2 -9.39811754E-6  1.44890344E-9-8.36457419E-14    2
  -4.23372402E4  -1.02244594E2   3.06872757E0  8.64896327E-2 -6.71967246E-5    3
  2.76721306E-8-4.66923682E-12  -3.46859785E4   2.12466543E1                   4
C6H11OH3Q2-4            H  13O   3C   6     G     300.0    5000.0  1409.0      1
   2.59439737E1  2.76030706E-2 -9.23564002E-6   1.4123442E-9-8.10680706E-14    2
  -3.94803309E4  -9.90490691E1    2.9521812E0  8.72051081E-2  -6.9343084E-5    3
  2.92026707E-8-5.00178619E-12  -3.21203829E4    2.2278142E1                   4
C6H11OH3Q2-5            H  13O   3C   6     G     300.0    5000.0  1424.0      1
   2.54123818E1  2.78687781E-2 -9.28983803E-6  1.41718629E-9-8.12123884E-14    2
  -4.01708021E4  -9.60259435E1   2.21014645E0  8.47974207E-2 -6.23210938E-5    3
  2.36224136E-8-3.59482441E-12    -3.251819E4   2.73910371E1                   4
C6H11OH1Q5-2            H  13O   3C   6     G     100.0    5000.0 1104.45      1
   1.39191307E1   4.9989963E-2 -2.21223481E-5  4.19472555E-9-2.93462009E-13    2
  -3.34287827E4  -3.24521291E1 -5.21558354E-1  1.02290496E-1 -9.31545994E-5    3
  4.70715415E-8-9.99902522E-12  -3.02390102E4   3.86503521E1                   4
C6H11OH1Q5-3            H  13O   3C   6     G     100.0    5000.0  538.17      1
   8.12821202E0  6.00132039E-2 -2.77342932E-5  5.30288428E-9-3.70475004E-13    2
  -3.20915924E4  6.56113777E-2  3.72695753E-2  9.96328646E-2 -8.09781866E-5    3
 4.21618445E-10  3.4803574E-11  -3.09236142E4   3.68471687E1                   4
C6H11OH1Q6-2            H  13O   3C   6     G     100.0    5000.0  982.96      1
   1.18134715E1  5.36622901E-2 -2.42394422E-5  4.63218179E-9-3.25300158E-13    2
  -3.11353676E4  -2.02133049E1 -4.57228753E-1  1.03594987E-1 -1.00435406E-4    3
  5.63090749E-8 -1.3468227E-11  -2.87229991E4   3.87750751E1                   4
C6H11OH1Q6-3            H  13O   3C   6     G     100.0    5000.0  447.61      1
   7.51864228E0  6.09468803E-2 -2.81861649E-5  5.33147575E-9-3.67402289E-13    2
  -3.03660017E4    4.0138951E0  6.94916612E-1  8.97261558E-2 -1.67224312E-5    3
 -1.72459119E-7 1.88696845E-10  -2.94325597E4    3.5052533E1                   4
C6H11OH1Q6-4            H  13O   3C   6     G     100.0    5000.0  447.61      1
   7.51864228E0  6.09468803E-2 -2.81861649E-5  5.33147575E-9-3.67402289E-13    2
  -3.03660017E4    4.0138951E0  6.94916612E-1  8.97261558E-2 -1.67224312E-5    3
 -1.72459119E-7 1.88696845E-10  -2.94325597E4    3.5052533E1                   4
C6H11OH1O1-2            H  12O   2C   6     G     300.0    5000.0  1412.0      1
   2.38543711E1  2.61473089E-2 -8.86849596E-6  1.36943253E-9-7.91626435E-14    2
   -5.3301135E4  -9.72919039E1  -1.87686013E0  8.78971135E-2 -6.48542872E-5    3
  2.40992768E-8-3.55746579E-12  -4.46721654E4   4.00776909E1                   4
C6H11OH1O2-3            H  12O   2C   6     G     300.0    5000.0  1428.0      1
   2.39656228E1  2.52887995E-2 -8.41122684E-6  1.28187511E-9-7.34279617E-14    2
  -5.02894651E4  -9.82700648E1  -5.45746434E0  1.01795837E-1 -8.41833811E-5    3
  3.50556568E-8-5.76410854E-12  -4.10827709E4   5.65980335E1                   4
C6H11OH1O2-4            H  12O   2C   6     G     300.0    5000.0  1418.0      1
   2.26971357E1  2.69628077E-2 -9.02103474E-6  1.37999863E-9-7.92470009E-14    2
  -5.09452488E4  -9.29822033E1  -8.96409202E0  1.12487468E-1 -9.79391385E-5    3
  4.32623438E-8-7.55841114E-12   -4.1282011E4   7.26588383E1                   4
C6H11OH1O2-5            H  12O   2C   6     G     300.0    5000.0  1419.0      1
    2.2088825E1  2.78783631E-2 -9.33211122E-6  1.42813723E-9-8.20354154E-14    2
  -6.10540689E4  -9.11688687E1  -1.10663857E1  1.17081259E-1 -1.01598375E-4    3
  4.46383421E-8-7.75319943E-12  -5.09102134E4     8.239645E1                   4
C6H11OH1O2-6            H  12O   2C   6     G     300.0    5000.0  1412.0      1
   2.23002244E1  2.87893556E-2 -9.79094965E-6  1.51461631E-9-8.76660226E-14    2
  -6.16244664E4  -9.70659208E1  -1.16756629E1  1.16854031E-1 -9.76118122E-5    3
  4.13056747E-8-6.95501045E-12   -5.0863222E4   8.20369191E1                   4
C6H11OH1O3-5            H  12O   2C   6     G     100.0    5000.0  907.84      1
   1.51918847E1  3.49143805E-2 -1.01895961E-5  1.58558619E-9-1.03185545E-13    2
  -4.63937341E4  -4.92941787E1  4.43105784E-1  6.52674156E-2  -3.1215956E-6    3
 -4.56232709E-8 2.44680742E-11  -4.22887202E4   2.82940173E1                   4
C6H11OH1O3-6            H  12O   2C   6     G     100.0    5000.0  916.41      1
   1.41040919E1   3.6298273E-2 -1.07295284E-5   1.7047167E-9-1.13035909E-13    2
  -5.42808415E4  -4.60497351E1  7.90035083E-1  5.57160004E-2   2.0826204E-5    3
 -6.73291987E-8 3.12899239E-11  -5.02157509E4   2.58860809E1                   4
C6H11OH1O4-6            H  12O   2C   6     G     100.0    5000.0  908.87      1
    1.3771725E1  3.73772036E-2 -1.15900786E-5  1.85034909E-9 -1.2048176E-13    2
  -4.43736804E4  -4.01898929E1  4.50056865E-1  6.73975368E-2 -1.39186231E-5    3
 -3.10761076E-8 1.84633503E-11   -4.0770529E4   2.93070293E1                   4
C6H11OH2O1-2            H  12O   2C   6     G     300.0    5000.0  1407.0      1
   2.23098934E1  2.74291676E-2 -9.30209307E-6  1.43606634E-9-8.29953137E-14    2
  -5.23274904E4   -8.9130198E1  -1.03726227E0  8.13085118E-2 -5.58522541E-5    3
  1.92645595E-8-2.62626914E-12  -4.42521549E4   3.63254254E1                   4
C6H11OH2O1-3            H  12O   2C   6     G     300.0    5000.0  1418.0      1
   2.26971357E1  2.69628077E-2 -9.02103474E-6  1.37999863E-9-7.92470009E-14    2
  -5.09452488E4  -9.29822033E1  -8.96409202E0  1.12487468E-1 -9.79391385E-5    3
  4.32623438E-8-7.55841114E-12   -4.1282011E4   7.26588383E1                   4
C6H11OH2O1-4            H  12O   2C   6     G     300.0    5000.0  1419.0      1
    2.2088825E1  2.78783631E-2 -9.33211122E-6  1.42813723E-9-8.20354154E-14    2
  -6.10540689E4  -9.11688687E1  -1.10663857E1  1.17081259E-1 -1.01598375E-4    3
  4.46383421E-8-7.75319943E-12  -5.09102134E4     8.239645E1                   4
C6H11OH2O3-6            H  12O   2C   6     G     100.0    5000.0  914.44      1
   1.55196822E1   3.3843358E-2  -9.3336643E-6  1.44105486E-9-9.58316532E-14    2
  -5.62990195E4  -5.44352389E1  7.84269197E-1  5.35714058E-2  3.16759235E-5    3
 -8.19470829E-8 3.73255932E-11  -5.17339926E4   2.55620003E1                   4
C6H11OH1Q2-3O2          H  13O   5C   6     G     300.0    5000.0  1405.0      1
   3.04428303E1  2.91092976E-2 -9.90217854E-6  1.53184891E-9-8.86572699E-14    2
   -5.8147056E4  -1.19560974E2   2.12297527E0  9.97590267E-2 -7.78900492E-5    3
  3.14238435E-8-5.12837404E-12  -4.88370567E4   3.08119302E1                   4
C6H11OH1Q2-4O2          H  13O   5C   6     G     300.0    5000.0  1405.0      1
   3.04428303E1  2.91092976E-2 -9.90217854E-6  1.53184891E-9-8.86572699E-14    2
   -5.8147056E4  -1.19560974E2   2.12297527E0  9.97590267E-2 -7.78900492E-5    3
  3.14238435E-8-5.12837404E-12  -4.88370567E4   3.08119302E1                   4
C6H11OH1Q2-5O2          H  13O   5C   6     G     300.0    5000.0  1405.0      1
   3.04428303E1  2.91092976E-2 -9.90217854E-6  1.53184891E-9-8.86572699E-14    2
   -5.8147056E4  -1.19560974E2   2.12297527E0  9.97590267E-2 -7.78900492E-5    3
  3.14238435E-8-5.12837404E-12  -4.88370567E4   3.08119302E1                   4
C6H11OH2Q1-3O2          H  13O   5C   6     G     300.0    5000.0  1409.0      1
   3.16412199E1  2.78600561E-2 -9.42204252E-6  1.45193057E-9-8.38073659E-14    2
  -5.83925918E4  -1.25772682E2   2.16810383E0   1.0376654E-1 -8.48320817E-5    3
  3.55852737E-8-5.98258884E-12  -4.89801542E4   2.98146172E1                   4
C6H11OH2Q1-4O2          H  13O   5C   6     G     300.0    5000.0  1409.0      1
   3.16412199E1  2.78600561E-2 -9.42204252E-6  1.45193057E-9-8.38073659E-14    2
  -5.83925918E4  -1.25772682E2   2.16810383E0   1.0376654E-1 -8.48320817E-5    3
  3.55852737E-8-5.98258884E-12  -4.89801542E4   2.98146172E1                   4
C6H103OH1Q2             H  12O   3C   6     G     300.0    5000.0  1404.0      1
    2.3818852E1  2.78678537E-2 -9.45603351E-6  1.46019748E-9-8.43992106E-14    2
   -4.5960714E4  -8.86173365E1  6.00523739E-1  8.32237696E-2 -5.99206769E-5    3
  2.23635581E-8-3.39822182E-12  -3.80566012E4   3.56015758E1                   4
C6H104OH1Q2             H  12O   3C   6     G     300.0    5000.0  1407.0      1
   2.44796533E1  2.70582292E-2 -9.12175102E-6  1.40228253E-9-8.07946078E-14    2
  -4.71390048E4  -9.31529991E1   1.11310982E0  8.58599894E-2 -6.64232714E-5    3
  2.69787976E-8-4.46214907E-12  -3.94906526E4   3.07664621E1                   4
C6H105OH1Q2             H  12O   3C   6     G     300.0    5000.0  1407.0      1
   2.51849996E1  2.65379826E-2 -8.95952672E-6  1.37874023E-9-7.94953807E-14    2
   -4.6247866E4  -9.67848978E1  8.91164787E-1  8.88766232E-2 -7.10737731E-5    3
  2.97444803E-8-5.04534646E-12  -3.84154662E4   3.16270523E1                   4
C6H103OH2Q1             H  12O   3C   6     G     300.0    5000.0  1404.0      1
   2.42932634E1  2.72958147E-2 -9.22144631E-6  1.41970835E-9-8.18852153E-14    2
  -4.71572125E4  -9.20898817E1  5.94088817E-1  8.69179982E-2 -6.74783688E-5    3
  2.75689614E-8-4.59677816E-12  -3.93797454E4   3.36313145E1                   4
C6H104OH2Q1             H  12O   3C   6     G     300.0    5000.0  1404.0      1
   2.42932634E1  2.72958147E-2 -9.22144631E-6  1.41970835E-9-8.18852153E-14    2
  -4.71572125E4  -9.20898817E1  5.94088817E-1  8.69179982E-2 -6.74783688E-5    3
  2.75689614E-8-4.59677816E-12  -3.93797454E4   3.36313145E1                   4
C6H94OH1Q2-3            H  11O   3C   6     G     100.0    5000.0 1059.95      1
   1.47424439E1  4.56796039E-2 -2.08325755E-5  4.00330443E-9-2.82225075E-13    2
  -2.95630029E4  -4.11560696E1 -5.37339307E-1  1.03343329E-1 -1.02438081E-4    3
  5.53312294E-8-1.23887423E-11  -2.63239229E4   3.34492842E1                   4
C6H94OH1-2,3OOH         H  12O   5C   6     G     100.0    5000.0  970.39      1
   1.67668826E1  5.36564974E-2 -2.53251462E-5  4.93428201E-9-3.50244719E-13    2
  -5.60931059E4   -4.3909913E1  -1.56530906E0  1.29223575E-1 -1.42135713E-4    3
  8.51850357E-8-2.10253331E-11  -5.25352682E4   4.39811076E1                   4
C6H94OH1Q2-3O           H  11O   4C   6     G     100.0    5000.0 1061.38      1
   1.60930198E1  4.60042187E-2 -2.09832651E-5  4.03876988E-9-2.85118777E-13    2
  -3.70471861E4  -4.22902869E1 -8.40689308E-1  1.09820657E-1  -1.1117034E-4    3
  6.06853265E-8-1.36275201E-11  -3.34524946E4   4.04141475E1                   4
C6H95OH1Q2-4            H  11O   3C   6     G     100.0    5000.0 1144.53      1
   1.55904728E1  4.24652524E-2 -1.87203381E-5  3.54656983E-9-2.48141129E-13    2
  -2.58370974E4  -4.33411031E1  -4.4984896E-1  9.85249703E-2 -9.21920245E-5    3
   4.6342906E-8 -9.5962646E-12   -2.2165414E4   3.62093401E1                   4
C6H95OH1-2,4OOH         H  12O   5C   6     G     100.0    5000.0 1015.26      1
    1.8158583E1   5.1423692E-2 -2.40586545E-5  4.67700579E-9-3.31846434E-13    2
  -5.50792564E4  -5.11388475E1  -1.64448036E0  1.29447456E-1 -1.39338313E-4    3
   8.0377018E-8-1.89729013E-11   -5.1058314E4     4.469886E1                   4
C6H95OH1Q2-4O           H  11O   4C   6     G     100.0    5000.0 1109.51      1
    1.7638917E1  4.35223742E-2 -1.95788849E-5  3.74994842E-9  -2.641698E-13    2
  -3.61024599E4  -5.03965916E1 -9.68179505E-1  1.10603809E-1 -1.10268456E-4    3
  5.82415826E-8-1.25423382E-11  -3.19734601E4   4.13057302E1                   4
C6H94OH2Q1-3            H  11O   3C   6     G     100.0    5000.0 1059.95      1
   1.47424439E1  4.56796039E-2 -2.08325755E-5  4.00330443E-9-2.82225075E-13    2
  -2.95630029E4  -4.11560696E1 -5.37339307E-1  1.03343329E-1 -1.02438081E-4    3
  5.53312294E-8-1.23887423E-11  -2.63239229E4   3.34492842E1                   4
C6H94OH2-1,3OOH         H  12O   5C   6     G     100.0    5000.0  970.39      1
   1.67668826E1  5.36564974E-2 -2.53251462E-5  4.93428201E-9-3.50244719E-13    2
  -5.60931059E4   -4.3909913E1  -1.56530906E0  1.29223575E-1 -1.42135713E-4    3
  8.51850357E-8-2.10253331E-11  -5.25352682E4   4.39811076E1                   4
C6H94OH2Q1-3O           H  11O   4C   6     G     100.0    5000.0 1061.38      1
   1.60930198E1  4.60042187E-2 -2.09832651E-5  4.03876988E-9-2.85118777E-13    2
  -3.70471861E4  -4.22902869E1 -8.40689308E-1  1.09820657E-1  -1.1117034E-4    3
  6.06853265E-8-1.36275201E-11  -3.34524946E4   4.04141475E1                   4
C6H10OH1KET2-3          H  12O   4C   6     G     300.0    5000.0  1380.0      1
   3.00641028E1  2.52656245E-2 -8.70629746E-6  1.36009894E-9-7.93026811E-14    2
  -7.46249943E4  -1.20582898E2   2.04875611E0  9.05032044E-2 -6.66947833E-5    3
    2.484605E-8-3.74699068E-12  -6.49068074E4   2.99034977E1                   4
C6H10OH1KET2-4          H  12O   4C   6     G     300.0    5000.0  1375.0      1
   2.77925032E1  2.61107381E-2 -8.76381383E-6  1.34513327E-9-7.74750053E-14    2
  -7.51451887E4  -1.08449915E2   5.63915898E0  7.24708695E-2 -4.28264454E-5    3
  1.12048724E-8-8.67470909E-13  -6.70269099E4   1.22515603E1                   4
C6H10OH1KET2-5          H  12O   4C   6     G     300.0    5000.0  1375.0      1
   2.77925032E1  2.61107381E-2 -8.76381383E-6  1.34513327E-9-7.74750053E-14    2
  -7.51451887E4  -1.08449915E2   5.63915898E0  7.24708695E-2 -4.28264454E-5    3
  1.12048724E-8-8.67470909E-13  -6.70269099E4   1.22515603E1                   4
C6H10OH2KET1-3          H  12O   4C   6     G     300.0    5000.0  1394.0      1
   2.94636868E1  2.62269089E-2 -9.12067646E-6  1.43210275E-9-8.37519112E-14    2
  -7.45072005E4  -1.19252911E2   1.50220888E0  9.23494258E-2 -6.88558521E-5    3
  2.59701575E-8-3.95121452E-12  -6.49297304E4    3.0545525E1                   4
C6H10OH2KET1-4          H  12O   4C   6     G     300.0    5000.0  1394.0      1
   2.94636868E1  2.62269089E-2 -9.12067646E-6  1.43210275E-9-8.37519112E-14    2
  -7.45072005E4  -1.18563429E2   1.50220888E0  9.23494258E-2 -6.88558521E-5    3
  2.59701575E-8-3.95121452E-12  -6.49297304E4   3.12350067E1                   4
C6H11O1O2-5             H  11O   2C   6     G     100.0    5000.0   939.9      1
   1.09919384E1  3.99795125E-2 -1.33554505E-5   2.2537309E-9-1.51745957E-13    2
  -2.78200457E4  -3.04225687E1   1.10480403E0  5.13285805E-2  1.75719677E-5    3
 -5.44663225E-8 2.41868231E-11   -2.4604168E4   2.38847196E1                   4
C6H10OH11O2-5           H  11O   2C   6     G     100.0    5000.0  903.23      1
   1.59345343E1  3.09993683E-2 -8.36156266E-6  1.24402718E-9-8.00701288E-14    2
   -3.4344644E4  -5.58150712E1  5.64098975E-1  6.17112279E-2  2.67400245E-6    3
 -5.26917573E-8 2.75226419E-11  -3.00442056E4   2.52094811E1                   4
MTHF-J5                 H   9O   1C   5     G     100.0    5000.0   890.8      1
   1.46102086E1  1.86418807E-2 -2.14869585E-6 6.27480844E-11  5.6249311E-17    2
  -1.06423372E4  -5.41666046E1   1.94118652E0  2.71867836E-2  6.48672223E-5    3
 -1.11013801E-7  4.8271003E-11  -6.46714223E3    1.6255185E1                   4
DMTHFCHO                H  10O   2C   6     G     100.0    5000.0  921.51      1
     1.677184E1   2.6277462E-2 -5.97112402E-6  8.8597983E-10-6.35690395E-14    2
  -4.76005091E4  -6.24973359E1   1.49774062E0  3.11611697E-2  8.60519866E-5    3
  -1.3801408E-7 5.72409264E-11  -4.21777972E4   2.40917703E1                   4
DMTHFCO                 H   9O   2C   6     G     100.0    5000.0  910.59      1
    1.7512735E1  2.15419362E-2 -3.64799113E-6 4.10794277E-10 -2.8492089E-14    2
  -2.82795842E4  -6.41725565E1   1.44437009E0  3.38781128E-2  7.19817909E-5    3
 -1.25207647E-7 5.37459991E-11  -2.29383391E4   2.51031047E1                   4
C6H10OH1O2-5-2J         H  11O   2C   6     G     100.0    5000.0  901.57      1
   1.19112228E1  3.73043765E-2 -1.18457882E-5  1.90020327E-9-1.22991901E-13    2
  -3.29613069E4  -3.22924365E1  7.11952814E-1  6.39603174E-2 -1.78752405E-5    3
 -2.19769384E-8 1.43553128E-11  -3.00058737E4   2.57683421E1                   4
C6H10OH1O2-5-3J         H  11O   2C   6     G     100.0    5000.0  909.14      1
   1.60860767E1  2.95444295E-2 -7.27645201E-6  1.05222959E-9-6.93369675E-14    2
  -3.24134306E4  -5.56082334E1   9.7523007E-1  4.83926648E-2  4.02208947E-5    3
 -9.14108803E-8 4.12050838E-11  -2.76972241E4   2.66803723E1                   4
C6H10OH1O2-5-4J         H  11O   2C   6     G     100.0    5000.0  909.14      1
   1.60860767E1  2.95444295E-2 -7.27645201E-6  1.05222959E-9-6.93369675E-14    2
  -3.24134306E4  -5.56082334E1   9.7523007E-1  4.83926648E-2  4.02208947E-5    3
 -9.14108803E-8 4.12050838E-11  -2.76972241E4   2.66803723E1                   4
C6H10OH1O2-5-5J         H  11O   2C   6     G     100.0    5000.0  901.57      1
   1.19112228E1  3.73043765E-2 -1.18457882E-5  1.90020327E-9-1.22991901E-13    2
  -3.29613069E4  -3.22924365E1  7.11952814E-1  6.39603174E-2 -1.78752405E-5    3
 -2.19769384E-8 1.43553128E-11  -3.00058737E4   2.57683421E1                   4
C6H10OH1O2-5-6J         H  11O   2C   6     G     300.0    5000.0  1422.0      1
   2.14727414E1  2.56823685E-2 -8.53831033E-6  1.30056777E-9-7.44627141E-14    2
  -3.58425694E4  -8.48768875E1  -1.09987589E1  1.15377192E-1 -1.03674115E-4    3
  4.68618086E-8-8.31854409E-12  -2.61549685E4   8.42587685E1                   4
NC6KET2OH1-5            H  11O   2C   6     G     100.0    5000.0  468.84      1
    6.2063504E0  5.16727373E-2 -2.35582458E-5  4.46476535E-9-3.09689682E-13    2
   -3.1470469E4   7.60934013E0   1.25593718E0  7.25025748E-2 -2.17162035E-5    3
 -9.55363596E-8  1.0494103E-10  -3.07710197E4   3.02512629E1                   4
NC6KET5OH1-2            H  11O   2C   6     G     100.0    5000.0  924.48      1
   7.78603747E0  4.85803434E-2 -2.19226599E-5  4.18731374E-9-2.93893717E-13    2
  -3.31604494E4  -1.17603761E0  6.28869934E-1  7.95473325E-2 -7.21671041E-5    3
  4.04195044E-8-1.00917803E-11  -3.18371035E4   3.27912271E1                   4
C6H10OH1O2-5-2O2        H  11O   4C   6     G     100.0    5000.0  897.44      1
   2.88811157E1  1.73014017E-2  -2.2924264E-7-3.48087348E-10 2.73743843E-14    2
  -5.84145116E4  -1.23580959E2 -8.14859154E-1  8.06238075E-2  9.31971743E-6    3
 -9.31566196E-8 4.97584724E-11  -5.03043296E4   3.19606206E1                   4
C6H9OH1O2-5-D2          H  10O   2C   6     G     300.0    5000.0  1407.0      1
   1.95828051E1  2.55034784E-2 -8.54691893E-6  1.30886617E-9-7.52158887E-14    2
  -4.32710651E4  -7.61781241E1  -2.38654027E0  7.96618174E-2 -5.97849505E-5    3
  2.33616804E-8-3.70447324E-12  -3.59991424E4   4.06789809E1                   4
DMTHFOH1D2-4J           H   9O   2C   6     G     300.0    5000.0  1402.0      1
   1.99560998E1  2.29711555E-2 -7.83768845E-6  1.21502498E-9-7.04267984E-14    2
   -2.6697931E4  -7.85086472E1  -2.74400182E0  7.88626559E-2 -6.07979771E-5    3
  2.41207368E-8-3.87097464E-12  -1.91610414E4   4.22879916E1                   4
DMTHFOH1D2-4            H   8O   2C   6     G     100.0    5000.0 1380.42      1
   1.18300968E1  3.32524414E-2 -1.46653315E-5  2.74282862E-9-1.88152502E-13    2
  -3.81899089E4  -3.11317731E1   1.40730014E0  5.01902094E-2 -1.86572884E-5    3
 -2.28999121E-9 1.98392867E-12  -3.40485708E4   2.70898657E1                   4
DMTHFOH1D2-4-1J         H   7O   2C   6     G     100.0    5000.0  1050.5      1
    1.2638529E1  2.92233761E-2 -1.27005446E-5  2.49334008E-9 -1.8149479E-13    2
  -2.39970773E4  -3.51009975E1   1.57019828E0  4.00037135E-2  1.66918974E-5    3
 -4.45815735E-8 1.77854272E-11   -1.9941007E4   2.70797157E1                   4
DMTHFOH1D2-4-1OJ        H   7O   3C   6     G     100.0    5000.0 3335.35      1
   2.15445459E1  2.19613058E-2 -1.02263766E-5  1.75903384E-9-1.06782426E-13    2
  -3.98622415E4  -8.22709638E1   2.12852111E0  5.40978478E-2 -2.86598062E-5    3
  6.23915684E-9-5.02227489E-13  -3.18337801E4   2.74076196E1                   4
MF25J                   H   5O   1C   5     G    298.15    2000.0  1000.0      1
    5.0909373E0   3.0496692E-2  -1.6018733E-5   3.9492299E-9 -3.5861013E-13    2
    2.1476517E4  -5.2398919E-1   -1.4373784E0   4.8872661E-2  -3.1976748E-5    3
   6.8506134E-9  8.5036726E-13    2.3169044E4    3.2905684E1                   4
P13DE1O4J               H   5O   1C   5     G     298.0    2000.0  1000.0      1
    5.4149883E0   3.0780909E-2  -1.6997469E-5   4.5972129E-9  -4.909374E-13    2
    2.7113588E4    3.4703779E0    1.8189961E0   4.2295194E-2   -2.996437E-5    3
   1.0372129E-8 -1.2172455E-12    2.7976271E4    2.1536383E1                   4
NC5H11CHO               H  12O   1C   6     G     300.0    5000.0  1387.0      1
   2.04873253E1  2.68430457E-2 -9.19116692E-6  1.42823241E-9-8.29221047E-14    2
  -4.03718837E4  -8.01063419E1   1.05627818E0  6.60763209E-2 -3.73711171E-5    3
  1.00098154E-8-1.07504928E-12  -3.30163418E4   2.64498993E1                   4
NC5H11CO                H  11O   1C   6     G     300.0    5000.0  1387.0      1
   2.00712533E1  2.47109029E-2 -8.46937882E-6  1.31698154E-9-7.65012214E-14    2
  -2.14108014E4  -7.62027241E1   1.86220934E0  6.10502826E-2 -3.37923132E-5    3
   8.4598068E-9-7.62058122E-13   -1.4491242E4   2.37741801E1                   4
NC5H10CHO-1             H  11O   1C   6     G     300.0    5000.0  1393.0      1
     2.064821E1  2.43700759E-2 -8.38484086E-6  1.30722981E-9-7.60729502E-14    2
  -2.02672135E4  -8.15089367E1  4.03820084E-1  6.67650212E-2 -4.04412017E-5    3
  1.17460295E-8-1.35738688E-12  -1.27984101E4   2.88908916E1                   4
NC5H10CHO-5             H  11O   1C   6     G     300.0    5000.0  1388.0      1
   1.99255677E1  2.47873156E-2 -8.48543707E-6  1.31842819E-9-7.65429548E-14    2
  -1.52490081E4  -7.42842727E1    1.4180384E0  6.25623008E-2  -3.6064998E-5    3
  9.92021712E-9-1.09833826E-12  -8.29391556E3   2.70450318E1                   4
NC5H10CHO-3             H  11O   1C   6     G     300.0    5000.0  1372.0      1
   1.91787632E1  2.51424561E-2 -8.54947751E-6  1.32258961E-9-7.65569904E-14    2
  -1.65974046E4  -6.96530244E1   2.67207583E0  5.31515315E-2 -2.01351632E-5    3
-8.61689332E-10 1.48357706E-12  -9.92028986E3   2.25659604E1                   4
NC5H10CHO-4             H  11O   1C   6     G     300.0    5000.0  1372.0      1
   1.91787632E1  2.51424561E-2 -8.54947751E-6  1.32258961E-9-7.65569904E-14    2
  -1.65974046E4  -6.96530244E1   2.67207583E0  5.31515315E-2 -2.01351632E-5    3
-8.61689332E-10 1.48357706E-12  -9.92028986E3   2.25659604E1                   4
NC5H10CHO-2             H  11O   1C   6     G     300.0    5000.0  1372.0      1
   1.91787632E1  2.51424561E-2 -8.54947751E-6  1.32258961E-9-7.65569904E-14    2
  -1.65974046E4  -6.96530244E1   2.67207583E0  5.31515315E-2 -2.01351632E-5    3
-8.61689332E-10 1.48357706E-12  -9.92028986E3   2.25659604E1                   4
CHX                     H  12C   6          G     298.0    5000.0 1363.39      1
   8.86876478E0  4.59111187E-2  -1.9967825E-5  3.90020761E-9-2.82182195E-13    2
  -2.15744555E4  -3.11432348E1  -8.68246888E0  8.63828289E-2 -5.10955036E-5    3
  1.22237203E-8-5.31294645E-13  -1.59198389E4   6.24723885E1                   4
CHXRAD                  H  11C   6          G     298.0    5000.0 1367.47      1
   9.59088077E0  4.17733702E-2 -1.81332912E-5   3.5374644E-9-2.55721336E-13    2
   1.67008626E3  -3.16094139E1  -7.80715017E0  8.43204088E-2 -5.46824305E-5    3
   1.6193039E-8-1.62835066E-12   7.08332327E3   6.04206513E1                   4
CHXO2J                  H  11O   2C   6     G     298.0    5000.0 1369.25      1
   1.37355152E1  4.29311013E-2 -1.84122999E-5   3.5638301E-9-2.56259787E-13    2
  -1.75754325E4  -4.96976911E1  -6.97459293E0  9.77549464E-2 -7.14834786E-5    3
  2.58442904E-8 -3.6855374E-12  -1.14758629E4    5.8501561E1                   4
CHX1Q3J                 H  11O   2C   6     G     298.0    5000.0 1376.22      1
   1.50623687E1  4.06883631E-2 -1.73654375E-5  3.35061172E-9-2.40416255E-13    2
  -1.13875805E4  -5.45546071E1  -6.94019595E0  1.01945255E-1 -8.07977797E-5    3
  3.24663124E-8-5.27274912E-12  -5.14610156E3    5.9442839E1                   4
CYCHEXENE               H  10C   6          G     298.0    5000.0 1387.63      1
   7.99179203E0  3.89598936E-2 -1.65418222E-5  3.17851034E-9-2.27327762E-13    2
  -6.01498993E3  -2.17927008E1  -5.97795063E0   7.6609435E-2 -5.43761235E-5    3
  2.01624184E-8-3.14097713E-12  -1.92544045E3   5.10391836E1                   4
HEX5ENAL                H  10O   1C   6     G     298.0    5000.0 1370.86      1
   1.11838082E1  3.61465257E-2 -1.50516933E-5  2.85384174E-9-2.02192395E-13    2
  -2.09801825E4   -2.6774002E1   1.32677008E0  6.03721235E-2 -3.60622386E-5    3
  1.02786194E-8-1.05063002E-12  -1.79220175E4   2.53306846E1                   4
CYHX1N3OJ               H   9O   1C   6     G     298.0    5000.0 1380.72      1
   1.13671974E1   3.5083896E-2 -1.48016255E-5   2.8328074E-9-2.02074778E-13    2
  -4.96199358E2  -3.55509842E1  -3.77227463E0  7.68418834E-2 -5.76681844E-5    3
  2.23759479E-8-3.56929841E-12   3.83750528E3    4.3029223E1                   4
HX5ENAL2J               H   9O   1C   6     G     298.0    5000.0 1353.09      1
   1.03379501E1   3.3929235E-2 -1.39756744E-5   2.6301336E-9-1.85365591E-13    2
  -1.19510453E3  -1.88229044E1    2.5755938E0  5.09287337E-2 -2.54700152E-5    3
  4.42383683E-9 2.20774927E-13   1.36639984E3   2.28436559E1                   4
HX5ENAL4J               H   9O   1C   6     G     298.0    5000.0 1372.89      1
   1.13441499E1  3.35192511E-2 -1.39772003E-5   2.6529959E-9-1.88120386E-13    2
  -4.24060404E3  -2.76828045E1   7.8295425E-1  6.07054048E-2 -3.93285025E-5    3
  1.27694917E-8-1.63992377E-12  -1.06371382E3   2.77495857E1                   4
CYHX1EN3Q               H  10O   2C   6     G     298.0    5000.0 1385.89      1
    1.2535866E1   3.9063499E-2 -1.63504272E-5  3.11259173E-9-2.21212961E-13    2
  -1.77158767E4   -3.8606846E1  -5.38790421E0  9.02630076E-2 -7.11894407E-5    3
   2.9379842E-8-4.99865098E-12  -1.27269567E4   5.38623948E1                   4
CYHX1N3J                H   9C   6          G     298.0    5000.0 1396.49      1
   8.83608236E0  3.47085726E-2 -1.46662428E-5  2.80915849E-9-2.00471848E-13    2
   9.96060668E3  -2.52193112E1   -5.8349579E0  7.71140604E-2  -6.1059631E-5    3
  2.57504501E-8-4.55224655E-12   1.40253299E4   5.03546882E1                   4
HX5ENAL1J               H   9O   1C   6     G     298.0    5000.0 1367.81      1
   1.13586528E1  3.30485217E-2 -1.37932353E-5  2.61951296E-9-1.85811068E-13    2
  -2.28585119E3  -2.62218901E1   2.10460422E0  5.55214959E-2 -3.28467933E-5    3
   9.0401798E-9-8.33781869E-13   6.04410253E2   2.27763167E1                   4
HX5ENAL3J               H   9O   1C   6     G     298.0    5000.0 1341.57      1
    1.0366036E1  3.36032839E-2 -1.39026835E-5  2.62490485E-9-1.85443455E-13    2
   2.56094608E3  -1.90980007E1   2.88489441E0  4.80913311E-2 -2.04110516E-5    3
 7.16312943E-10  1.1625786E-12   5.17185518E3   2.16428172E1                   4
HX2N1AL6J               H   9O   1C   6     G     298.0    5000.0 1387.31      1
   1.13409666E1  3.30430461E-2 -1.37795809E-5  2.61494887E-9-1.85369059E-13    2
   2.17592555E3  -2.54994846E1    1.4530909E0  5.96795851E-2 -4.04997108E-5    3
  1.45666031E-8-2.22373861E-12    5.0693331E3    2.6050964E1                   4
C6Y1D2-6OOJ             H   9O   3C   6     G     298.0    5000.0 1388.07      1
   1.53359395E1  3.50306379E-2 -1.47444154E-5  2.81624698E-9-2.00569251E-13    2
  -1.66471361E4  -4.25390264E1    2.9624411E0  6.89870074E-2 -4.96020613E-5    3
  1.88365825E-8-3.01398653E-12  -1.30780596E4     2.176771E1                   4
C6Y1D2-6OO-4J           H   9O   3C   6     G     298.0    5000.0 1391.47      1
   1.60471957E1  3.43854747E-2 -1.45007936E-5  2.77378622E-9-1.97766628E-13    2
  -1.69424216E4  -4.71282123E1   1.57164555E0  7.56372937E-2 -5.87705808E-5    3
   2.4143499E-8-4.14130262E-12  -1.28929627E4   2.76090107E1                   4
C6D2Y1Q6-4QJ            H   9O   5C   6     G     298.0    5000.0 1385.39      1
   1.97392735E1  3.58069327E-2  -1.5125326E-5  2.89686127E-9-2.06736281E-13    2
  -2.83772647E4  -5.95021359E1   4.02630348E0  7.99219572E-2 -6.14917302E-5    3
  2.46796884E-8 -4.0974892E-12  -2.39372072E4   2.18168642E1                   4
C6D2Y16Q4               H   8O   4C   6     G     298.0    5000.0 1355.76      1
   1.57473118E1  3.15925173E-2 -1.26216358E-5  2.32572247E-9 -1.6148869E-13    2
  -2.72077258E4  -4.05060739E1      4.30259E0  6.35533492E-2   -4.554666E-5    3
  1.71759061E-8-2.64011773E-12  -2.39874195E4   1.87208695E1                   4
IC6                     H  14C   6          G     300.0    5000.0  1395.0      1
   1.91261497E1  3.02923612E-2  -1.0319071E-5  1.59739955E-9-9.24795368E-14    2
  -3.06783207E4  -7.72356536E1  -1.96654899E0  7.99747088E-2 -5.60285021E-5    3
  2.11909062E-8-3.38092129E-12  -2.33087394E4   3.60413086E1                   4
IC6-1                   H  13C   6          G     300.0    5000.0  1396.0      1
   1.85509644E1  2.82447949E-2 -9.61528253E-6  1.48779519E-9-8.61074791E-14    2
  -5.54699918E3  -7.06357046E1  -1.57243778E0  7.63601716E-2 -5.46912375E-5    3
  2.11784879E-8-3.44861598E-12   1.40810857E3   3.71746448E1                   4
IC6-5                   H  13C   6          G     300.0    5000.0  1396.0      1
   1.85509644E1  2.82447949E-2 -9.61528253E-6  1.48779519E-9-8.61074791E-14    2
  -5.54699918E3  -7.13251862E1  -1.57243778E0  7.63601716E-2 -5.46912375E-5    3
  2.11784879E-8-3.44861598E-12   1.40810857E3   3.64851631E1                   4
IC6D4                   H  12C   6          G     300.0    5000.0  1395.0      1
   1.76308858E1   2.6920541E-2 -9.16294336E-6   1.4176965E-9-8.20477711E-14    2
  -1.51045708E4  -6.84031974E1  -1.65680029E0  7.27643996E-2 -5.17608719E-5    3
  1.98517597E-8-3.20086288E-12   -8.4152046E3     3.502005E1                   4
IC6D1-5                 H  11C   6          G     300.0    5000.0  1394.0      1
   1.69064421E1  2.50843558E-2  -8.5516572E-6   1.3246401E-9-7.67267662E-14    2
   9.01971254E3  -6.13409609E1 -4.92981892E-1   6.3945144E-2 -4.15275855E-5    3
  1.40336775E-8-1.96206959E-12   1.52795338E4     3.280189E1                   4
IC6D4-1                 H  11C   6          G     300.0    5000.0  1396.0      1
    1.7060508E1  2.48815769E-2 -8.46488926E-6   1.3092723E-9-7.57558681E-14    2
   1.00212741E4  -6.18399351E1   -1.2961595E0  6.92991868E-2 -5.06379231E-5    3
  1.99756031E-8-3.29999198E-12   1.63066246E4     3.630795E1                   4
IC6OH2-1J               H  13O   1C   6     G     300.0    5000.0  1384.0      1
   2.17171805E1  2.84798352E-2 -9.87444944E-6  1.54686588E-9-9.03023622E-14    2
  -2.78458935E4  -8.53091298E1   3.03395385E0  6.89126979E-2 -4.39186105E-5    3
  1.50915652E-8-2.26334414E-12  -2.08453039E4   1.64918748E1                   4
IC6OH4-3J               H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.06200396E1  2.79512317E-2 -9.36970548E-6  1.43455322E-9-8.24077315E-14    2
  -2.69796269E4  -7.78860859E1  1.75734172E-1  8.04434913E-2 -6.23882811E-5    3
   2.6236342E-8-4.55622752E-12  -2.03130699E4   3.02974435E1                   4
IC6OH2-1O2              H  13O   3C   6     G     300.0    5000.0  1390.0      1
   2.57506751E1  2.95026522E-2  -1.0180387E-5  1.58993329E-9-9.26266521E-14    2
  -4.71985103E4  -1.01905846E2   2.22922171E0  8.26992713E-2 -5.62630047E-5    3
  1.98991192E-8-2.92056549E-12  -3.87931585E4   2.51437949E1                   4
IC6OH4-3O2              H  13O   3C   6     G     300.0    5000.0  1410.0      1
   2.59693081E1  2.77679376E-2 -9.24176432E-6  1.40816622E-9-8.06216976E-14    2
  -4.73404458E4  -1.02754238E2 -1.05892224E-1  9.92345391E-2     -8.5477E-5    3
  3.84994692E-8-6.93819586E-12  -3.93887134E4   3.34576016E1                   4
IC6-3OOH                H  14O   2C   6     G     300.0    5000.0  1403.0      1
   2.44491095E1  2.97281576E-2 -1.00615214E-5  1.55073951E-9 -8.9504333E-14    2
  -4.37045369E4   -9.9466996E1 -2.91863805E-1  9.29441415E-2 -7.32941165E-5    3
  3.07513661E-8-5.28394313E-12  -3.56389807E4   3.15077121E1                   4
IC6-2O2                 H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.30739723E1  2.91182535E-2 -9.92648328E-6  1.53742272E-9-8.90403235E-14    2
  -2.86519579E4  -9.31722064E1   1.23962618E0  8.22883094E-2 -6.08316925E-5    3
  2.42761793E-8-4.05130561E-12  -2.12055231E4   2.34567728E1                   4
IC6-1O                  H  13O   1C   6     G     300.0    5000.0  1400.0      1
   2.15315658E1   2.8212963E-2 -9.59612045E-6  1.48415109E-9-8.58751376E-14    2
  -2.29211146E4  -8.50040167E1  5.71667894E-1   7.5720318E-2 -5.02310606E-5    3
  1.70867001E-8-2.35556104E-12  -1.55103451E4   2.80548719E1                   4
IC6-5O                  H  13O   1C   6     G     300.0    5000.0  1400.0      1
   2.15315658E1   2.8212963E-2 -9.59612045E-6  1.48415109E-9-8.58751376E-14    2
  -2.29211146E4  -8.56934984E1  5.71667894E-1   7.5720318E-2 -5.02310606E-5    3
  1.70867001E-8-2.35556104E-12  -1.55103451E4   2.73653903E1                   4
IC6OOH1-4               H  13O   2C   6     G     300.0    5000.0  1400.0      1
    2.2756546E1   2.8867201E-2 -9.82140805E-6  1.51931586E-9 -8.7923886E-14    2
  -1.80621476E4  -8.56750466E1  9.77156861E-1  7.82364698E-2 -5.19978751E-5    3
  1.76653028E-8-2.42451047E-12  -1.03687389E4   3.17916264E1                   4
IC6OOH2-4               H  13O   2C   6     G     300.0    5000.0  1400.0      1
   2.26264356E1  2.88515908E-2 -9.78704635E-6  1.51084797E-9-8.73024753E-14    2
  -2.20449591E4  -8.81290233E1   2.06657085E0  7.58947291E-2 -5.07191119E-5    3
  1.76469142E-8-2.52147307E-12  -1.48029953E4   2.26430006E1                   4
IC6OOH3-4               H  13O   2C   6     G     300.0    5000.0  1403.0      1
   2.36608139E1   2.7899316E-2 -9.44144122E-6  1.45505443E-9-8.39770336E-14    2
  -1.98378595E4  -9.24133473E1   1.58694152E0  8.30162559E-2 -6.31792767E-5    3
   2.5656328E-8-4.29419325E-12  -1.25110224E4   2.49015645E1                   4
IC6OOH4-3               H  13O   2C   6     G     300.0    5000.0  1403.0      1
   2.36608139E1   2.7899316E-2 -9.44144122E-6  1.45505443E-9-8.39770336E-14    2
  -1.98378595E4  -9.24133473E1   1.58694152E0  8.30162559E-2 -6.31792767E-5    3
   2.5656328E-8-4.29419325E-12  -1.25110224E4   2.49015645E1                   4
IC6OOH5-3               H  13O   2C   6     G     300.0    5000.0  1400.0      1
    2.2756546E1   2.8867201E-2 -9.82140805E-6  1.51931586E-9 -8.7923886E-14    2
  -1.80621476E4  -8.63645282E1  9.77156861E-1  7.82364698E-2 -5.19978751E-5    3
  1.76653028E-8-2.42451047E-12  -1.03687389E4   3.11021448E1                   4
IC6O1-3                 H  12O   1C   6     G     300.0    5000.0  1416.0      1
   2.00254749E1  2.70583523E-2 -9.04012984E-6  1.38132006E-9-7.92500917E-14    2
  -3.07791434E4   -8.2596383E1  -9.84643273E0  1.08812068E-1 -9.54733501E-5    3
  4.28480505E-8-7.62074807E-12   -2.1732079E4   7.33665556E1                   4
IC6O2-4                 H  12O   1C   6     G     300.0    5000.0  1411.0      1
   2.02974553E1  2.74543957E-2 -9.31447053E-6  1.43841636E-9-8.31501933E-14    2
  -3.43339782E4  -8.67847759E1  -5.54101888E0  8.95796357E-2 -6.59683239E-5    3
  2.46764016E-8-3.69250248E-12  -2.56587986E4   5.11518818E1                   4
IC6O4-5                 H  12O   1C   6     G     300.0    5000.0  1415.0      1
   2.08299895E1  2.60151963E-2 -8.69346747E-6  1.32848906E-9-7.62228722E-14    2
  -2.99439481E4   -8.5966784E1   -7.9687566E0  1.05698095E-1 -9.39992968E-5    3
   4.2778313E-8-7.70531392E-12  -2.12906552E4   6.41158063E1                   4
IC6OOH1-4O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.76716096E4   -1.1262741E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.90737259E4   2.89410866E1                   4
IC6OOH2-4O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84533536E1  2.84966642E-2 -9.64742519E-6   1.4872567E-9 -8.5855889E-14    2
  -4.17008071E4  -1.15728264E2   2.68047404E0  9.63995693E-2 -7.98384784E-5    3
  3.49248904E-8-6.19589877E-12  -3.35034499E4   1.99833037E1                   4
IC6OOH3-4O2             H  13O   4C   6     G     300.0    5000.0  1409.0      1
   2.88812043E1  2.77072264E-2 -9.28325083E-6  1.42102882E-9-8.16256265E-14    2
  -3.95282801E4  -1.16065203E2   1.93609553E0  1.01003381E-1 -8.69352539E-5    3
  3.89918425E-8-6.99903691E-12  -3.12519324E4   2.48943806E1                   4
IC6OOH4-3O2             H  13O   4C   6     G     300.0    5000.0  1409.0      1
   2.88812043E1  2.77072264E-2 -9.28325083E-6  1.42102882E-9-8.16256265E-14    2
  -3.95282801E4  -1.16065203E2   1.93609553E0  1.01003381E-1 -8.69352539E-5    3
  3.89918425E-8-6.99903691E-12  -3.12519324E4   2.48943806E1                   4
IC6OOH5-3O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.76716096E4  -1.13316891E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.90737259E4    2.8251605E1                   4
IC6Q12-3                H  13O   4C   6     G     300.0    5000.0  1395.0      1
   2.90368206E1   2.8347204E-2 -9.76814484E-6  1.52418487E-9 -8.8742428E-14    2
  -3.36481585E4  -1.16239242E2    3.3546703E0  8.96903387E-2 -6.64400702E-5    3
  2.56305369E-8-4.06236965E-12  -2.48510053E4   2.12331986E1                   4
IC6Q14-3                H  13O   4C   6     G     300.0    5000.0  1401.0      1
   2.97280901E1  2.75258669E-2  -9.4345493E-6  1.46699908E-9-8.52095976E-14    2
  -3.16641748E4  -1.18291653E2   2.61941986E0  9.36471667E-2 -7.14788288E-5    3
  2.80541452E-8-4.46098334E-12  -2.25885788E4   2.62074125E1                   4
IC6Q23-1                H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.88636631E1  2.77417122E-2 -9.39097265E-6  1.44763468E-9 -8.3565199E-14    2
  -3.37834997E4  -1.15064846E2    2.9910123E0  9.65465421E-2 -8.11258404E-5    3
  3.58561028E-8 -6.4023247E-12  -2.56261543E4   2.09321941E1                   4
IC6Q24-5                H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.88636631E1  2.77417122E-2 -9.39097265E-6  1.44763468E-9 -8.3565199E-14    2
  -3.37834997E4  -1.15754328E2    2.9910123E0  9.65465421E-2 -8.11258404E-5    3
  3.58561028E-8 -6.4023247E-12  -2.56261543E4   2.02427125E1                   4
IC6Q34-2                H  13O   4C   6     G     300.0    5000.0  1406.0      1
   2.85802657E1  2.77550292E-2 -9.34809679E-6  1.43621811E-9-8.27160962E-14    2
  -3.38976351E4  -1.12448472E2   5.14873866E0  8.59883965E-2   -6.524017E-5    3
  2.59741389E-8-4.21714841E-12  -2.61585931E4   1.20690587E1                   4
IC6Q45-3                H  13O   4C   6     G     300.0    5000.0  1401.0      1
   2.97280901E1  2.75258669E-2  -9.4345493E-6  1.46699908E-9-8.52095976E-14    2
  -3.16641748E4  -1.18981135E2   2.61941986E0  9.36471667E-2 -7.14788288E-5    3
  2.80541452E-8-4.46098334E-12  -2.25885788E4   2.55179309E1                   4
IC6KET1-4               H  12O   3C   6     G     300.0    5000.0  1388.0      1
   2.68627736E1  2.60449817E-2 -9.00157328E-6  1.40786874E-9-8.21195703E-14    2
  -5.53675568E4  -1.09618827E2   3.03151256E0   7.4134844E-2 -4.15943936E-5    3
  8.99151177E-9-1.91225043E-13   -4.6486243E4   2.08036999E1                   4
IC6KET3-4               H  12O   3C   6     G     300.0    5000.0  1391.0      1
   2.80553819E1  2.41563396E-2 -8.17388308E-6   1.2616377E-9-7.29554116E-14    2
     -5.73841E4  -1.15600061E2  -1.97683489E0  1.00621303E-1 -8.35196308E-5    3
   3.5263662E-8-5.96524108E-12  -4.76759056E4   4.33064889E1                   4
IC6KET4-3               H  12O   3C   6     G     300.0    5000.0  1393.0      1
   2.78377136E1   2.4156085E-2 -8.13286623E-6   1.2509693E-9-7.21613773E-14    2
  -5.73270605E4  -1.13815946E2  -2.08291574E0  1.02444126E-1 -8.78081781E-5    3
  3.84429909E-8-6.72767644E-12  -4.78443117E4   4.37881188E1                   4
IC6KET5-3               H  12O   3C   6     G     300.0    5000.0  1405.0      1
   2.59979505E1  2.58449189E-2 -8.72557574E-6  1.34319934E-9-7.74792585E-14    2
  -5.40142577E4  -1.04511652E2   1.39297001E0  8.58990019E-2 -6.47044035E-5    3
  2.49838144E-8-3.88434999E-12  -4.58279071E4      2.65488E1                   4
IC6D1-4OOH              H  12O   2C   6     G     300.0    5000.0  1402.0      1
   2.27230684E1  2.67628108E-2 -9.09200616E-6  1.40498621E-9-8.12440926E-14    2
  -2.91299529E4  -8.90774714E1  7.11489704E-1  8.09227922E-2 -6.08867714E-5    3
  2.42293354E-8-3.96657738E-12  -2.17568323E4   2.81691121E1                   4
IC6D2-5OOH              H  12O   2C   6     G     300.0    5000.0  1393.0      1
   2.17428479E1  2.79612717E-2 -9.58835303E-6  1.49125928E-9-8.66284862E-14    2
  -2.80408724E4   -8.4028988E1 -2.86230032E-1  7.73207841E-2 -5.13168187E-5    3
  1.73559491E-8-2.38113998E-12  -2.01731937E4   3.50380013E1                   4
IC6D4-1OOH              H  12O   2C   6     G     300.0    5000.0  1396.0      1
   2.26725532E1  2.71262732E-2 -9.28845927E-6  1.44306754E-9-8.37620083E-14    2
  -2.63328809E4  -8.79401381E1 -5.26364667E-1  8.43576145E-2 -6.46142867E-5    3
   2.6280694E-8-4.41463315E-12  -1.85319772E4   3.56547583E1                   4
IC6O12-1AOOH            H  12O   3C   6     G     300.0    5000.0  1414.0      1
   2.50158514E1  2.69694918E-2  -9.0827176E-6  1.39565839E-9-8.03982034E-14    2
   -4.2107532E4  -1.01184336E2  -2.19365284E0  9.57573665E-2 -7.57246698E-5    3
  3.06677771E-8 -4.9757011E-12  -3.33184373E4   4.28608483E1                   4
IC6O13-2OOH             H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.51155493E1  2.70233717E-2 -9.03843199E-6  1.38222836E-9-7.93533849E-14    2
  -4.60136946E4  -1.05500562E2  -6.83826895E0  1.15337419E-1 -1.03286694E-4    3
  4.69768244E-8-8.43096172E-12  -3.64259342E4   6.10208946E1                   4
IC6O14-5OOH             H  12O   3C   6     G     300.0    5000.0  1416.0      1
   2.46024945E1  2.80358375E-2 -9.42249385E-6  1.44589993E-9-8.32145088E-14    2
  -5.21423839E4   -1.0176322E2  -1.04005807E1  1.23775889E-1 -1.10393849E-4    3
  4.97138605E-8-8.82688333E-12  -4.15595338E4   8.09712733E1                   4
IC6O23-4OOH             H  12O   3C   6     G     300.0    5000.0  1418.0      1
   2.70554032E1   2.5329362E-2 -8.54066379E-6  1.31377575E-9-7.57488585E-14    2
  -4.67962253E4  -1.15338393E2  -5.8348341E-1  9.38782319E-2 -7.30218779E-5    3
  2.85557675E-8-4.42448842E-12   -3.7786287E4   3.13663984E1                   4
IC6O24-5OOH             H  12O   3C   6     G     300.0    5000.0  1410.0      1
    2.5682206E1  2.73947268E-2 -9.35520468E-6  1.45133976E-9-8.41740242E-14    2
  -4.57228307E4  -1.09044141E2  -4.33743355E0  1.00816181E-1 -7.76149128E-5    3
  3.00490033E-8-4.62880025E-12  -3.57902336E4   5.07367838E1                   4
IC6O34-1OOH             H  12O   3C   6     G     300.0    5000.0  1423.0      1
   2.69827581E1  2.48709957E-2 -8.27112467E-6  1.26037007E-9-7.21888557E-14    2
  -4.34521659E4  -1.12386884E2  -4.78337927E0  1.11026013E-1 -9.78075019E-5    3
  4.32627328E-8-7.52427497E-12  -3.38386439E4      5.36018E1                   4
IC6O45-2OOH             H  12O   3C   6     G     300.0    5000.0  1418.0      1
   2.64058028E1  2.55973511E-2  -8.5696875E-6   1.3116472E-9-7.53537147E-14    2
  -4.54250525E4  -1.11757635E2  -3.33133226E0  1.04594956E-1  -8.9201254E-5    3
  3.85912665E-8-6.61639829E-12  -3.62270956E4   4.42708899E1                   4
SC4H9CHO                H  10O   1C   5     G     300.0    5000.0  1394.0      1
   1.63021444E1  2.30698041E-2  -7.8613745E-6  1.21738705E-9-7.05021727E-14    2
  -3.68935591E4  -5.88925746E1   1.54864671E0  5.27738215E-2  -2.8654957E-5    3
  6.79154678E-9-4.27169992E-13  -3.12991709E4   2.20212553E1                   4
IC6Q11A-5               H  13O   4C   6     G     300.0    5000.0  1398.0      1
   2.86569198E1  2.85943619E-2 -9.83609616E-6  1.53294188E-9-8.91759942E-14    2
  -2.80104002E4  -1.11908598E2  7.09941186E-1  9.93385589E-2 -7.99807927E-5    3
  3.37137761E-8-5.79337241E-12  -1.88256905E4   3.62891762E1                   4
IC6Q13-5                H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.87907341E1  2.79213078E-2 -9.47982659E-6  1.46437657E-9-8.46585027E-14    2
  -2.97321242E4  -1.12326939E2   1.31093011E0  1.00610044E-1 -8.46773261E-5    3
  3.72158759E-8-6.59316092E-12  -2.10495891E4   3.22223978E1                   4
IC6Q23-5                H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.88425669E1  2.77804841E-2 -9.40909634E-6  1.45096939E-9-8.37801891E-14    2
  -3.37998767E4  -1.15860275E2   2.29340705E0   9.8778657E-2 -8.38285765E-5    3
  3.73109073E-8-6.69286784E-12  -2.54710696E4   2.35490103E1                   4
IC6Q45-2                H  13O   4C   6     G     300.0    5000.0  1394.0      1
   2.72564428E1   2.9704147E-2 -1.02022012E-5  1.58841987E-9-9.23410577E-14    2
  -3.19760052E4  -1.04840566E2   3.36913067E0  8.30135535E-2 -5.48561184E-5    3
  1.82870523E-8-2.44589394E-12  -2.34392977E4   2.43189059E1                   4
C5H9O23-4               H   9O   1C   5     G     300.0    5000.0  1411.0      1
   1.70490974E1  1.96134323E-2 -6.70697569E-6  1.04149701E-9-6.04460603E-14    2
  -3.58044902E3  -6.41886803E1  -2.82466306E0  6.51448084E-2 -4.52316109E-5    3
   1.5212632E-8-1.94777012E-12   3.27942042E3     4.264231E1                   4
IC6O13-1AOOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.52227969E1  2.71196931E-2 -9.11337641E-6  1.39829544E-9-8.04665316E-14    2
  -4.20432522E4  -1.03656361E2  -8.26834089E0  1.19012191E-1  -1.0642731E-4    3
   4.8131694E-8-8.58522316E-12  -3.19350376E4    7.1101769E1                   4
IC6O15-3OOH             H  12O   3C   6     G     300.0    5000.0  1413.0      1
   2.54698062E1  2.80845533E-2 -9.51849162E-6  1.46909112E-9-8.48957873E-14    2
  -5.47653425E4  -1.12052576E2  -1.05926198E1  1.25173198E-1 -1.10349165E-4    3
  4.90152423E-8-8.59995303E-12  -4.37024075E4   7.67708337E1                   4
IC6O35-1OOH             H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.52227969E1  2.71196931E-2 -9.11337641E-6  1.39829544E-9-8.04665316E-14    2
  -4.20432522E4  -1.03656361E2  -8.26834089E0  1.19012191E-1  -1.0642731E-4    3
   4.8131694E-8-8.58522316E-12  -3.19350376E4    7.1101769E1                   4
C5H92-5O                H   9O   1C   5     G     300.0    5000.0  1386.0      1
   1.61900414E1  2.11711075E-2 -7.23618575E-6  1.12298843E-9-6.51374517E-14    2
   -3.4160179E3  -5.71934443E1   2.98327811E0  4.50271224E-2 -1.98988167E-5    3
  1.84920729E-9  6.2141347E-13   1.84071653E3   1.61667152E1                   4
IC6KET1-4O              H  11O   2C   6     G     300.0    5000.0  1404.0      1
   2.20687296E1  2.53046596E-2 -8.61385806E-6  1.33298744E-9 -7.7160084E-14    2
  -3.48152328E4  -8.45765124E1   2.73918546E0  6.86589684E-2 -4.48648325E-5    3
  1.47084949E-8-1.90415225E-12  -2.79641697E4   1.98015405E1                   4
IC6KET3-4O              H  11O   2C   6     G     300.0    5000.0  1486.0      1
   2.30789897E1  2.53262773E-2 -8.82287603E-6  1.38715977E-9-8.12036799E-14    2
  -3.89860158E4   -9.2250644E1    4.2387203E0  5.45447485E-2 -1.61253717E-5    3
 -5.44000302E-9 2.77957657E-12  -3.10852811E4   1.39798721E1                   4
IC6KET4-3O              H  11O   2C   6     G     300.0    5000.0  1393.0      1
   2.23916812E1   2.5459036E-2 -8.76200549E-6  1.36600108E-9-7.94827076E-14    2
  -3.80113888E4  -8.68865313E1   2.23380905E0  7.06080328E-2 -4.70202448E-5    3
  1.60027931E-8-2.22012677E-12  -3.07974278E4   2.20942598E1                   4
IC6KET5-3O              H  11O   2C   6     G     300.0    5000.0  1414.0      1
   2.31320997E1   2.3957399E-2 -8.05884413E-6  1.23756817E-9 -7.1267646E-14    2
  -3.54467168E4  -9.14681164E1   2.33865904E0  7.10769161E-2 -4.72532871E-5    3
  1.52720519E-8-1.85879434E-12   -2.8219121E4   2.04874118E1                   4
IC6-2                   H  13C   6          G     300.0    5000.0  1386.0      1
   1.74736494E1  2.91998483E-2   -9.955574E-6  1.54219846E-9 -8.9332151E-14    2
  -7.66188795E3  -6.50870461E1   1.34186249E0  5.90260358E-2   -2.757699E-5    3
  4.36267996E-9 2.17894384E-13  -1.22854004E3    2.4412786E1                   4
IC6D1                   H  12C   6          G     300.0    5000.0  1393.0      1
   1.75366529E1  2.69909149E-2 -9.18685795E-6  1.42153201E-9-8.22796426E-14    2
  -1.61178668E4   -6.7525014E1 -8.63456193E-1  6.74033394E-2 -4.25358112E-5    3
  1.37480765E-8-1.80899911E-12  -9.43977104E3   3.22578147E1                   4
IC6D1-1A                H  11C   6          G     300.0    5000.0  1388.0      1
   1.83043608E1  2.39749907E-2 -8.10336213E-6  1.24868601E-9-7.20886441E-14    2
   1.75722661E3  -7.16593305E1  -1.34580895E0  6.83157365E-2  -4.5660715E-5    3
  1.54484327E-8 -2.0954216E-12   8.70498364E3   3.43753303E1                   4
IC6D2-5                 H  11C   6          G     300.0    5000.0  1391.0      1
   1.61318845E1  2.57183352E-2 -8.76614955E-6  1.35776917E-9-7.86442175E-14    2
   8.31048969E3  -5.79341281E1  -1.03967458E0    6.218349E-2 -3.72281711E-5    3
  1.09893994E-8-1.25493763E-12   1.46631626E4    3.5622112E1                   4
IC6D4-2                 H  11C   6          G     300.0    5000.0  1385.0      1
    1.5917416E1  2.60119579E-2 -8.89091123E-6  1.37959504E-9-8.00072799E-14    2
   7.91542536E3  -5.59575381E1   1.56371703E0  5.23102737E-2 -2.41741938E-5    3
   3.6822985E-9 2.27027747E-13    1.3675639E4   2.37828532E1                   4
IC6OH2-3J               H  13O   1C   6     G     300.0    5000.0  1384.0      1
   2.08412349E1  2.91319984E-2 -1.00795025E-5  1.57683345E-9-9.19658551E-14    2
  -2.93915044E4  -8.12813784E1   2.18879959E0  6.72338327E-2 -3.88014449E-5    3
   1.1118798E-8-1.28053028E-12   -2.2232417E4   2.10598929E1                   4
IC6OH4-5J               H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.15207796E1  2.73812036E-2 -9.21458154E-6  1.41453625E-9-8.14081438E-14    2
  -2.60483659E4  -8.32036561E1  7.12121292E-2  8.41181905E-2 -6.84641432E-5    3
  3.00370094E-8-5.39050546E-12  -1.92059198E4   2.97335167E1                   4
IC6OH2-3O2              H  13O   3C   6     G     300.0    5000.0  1396.0      1
   2.61755584E1  2.85328264E-2 -9.71230576E-6  1.50305156E-9-8.70114594E-14    2
  -4.90463347E4  -1.05399805E2   2.32752743E0  8.61661554E-2 -6.37566314E-5    3
   2.4878854E-8-4.00510558E-12  -4.09428343E4   2.20194111E1                   4
IC6OH4-5O2              H  13O   3C   6     G     300.0    5000.0  1404.0      1
   2.55391379E1    2.873582E-2 -9.70616161E-6  1.49404106E-9-8.61572682E-14    2
  -4.54827501E4  -9.99079702E1 -3.98860864E-1  9.66702679E-2 -7.93396119E-5    3
  3.43475227E-8-6.03206739E-12  -3.72106865E4   3.67858202E1                   4
IC6D4-3O                H  11O   1C   6     G     300.0    5000.0  1392.0      1
   2.11131373E1  2.45715985E-2 -8.48828879E-6  1.32658759E-9-7.73197751E-14    2
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  4.81762683E-8-8.60348425E-12  -3.19363084E4   7.10507871E1                   4
CC5H9-AO                H   9O   1C   5     G     300.0    5000.0  1398.0      1
   1.71848106E1  2.03806649E-2 -6.97528864E-6  1.08346857E-9-6.28844364E-14    2
  -3.89733694E3  -6.28979267E1  9.09975085E-1  5.61833425E-2 -3.60501192E-5    3
  1.13597068E-8-1.37987756E-12   1.94190987E3    2.5235778E1                   4
A-BC5H10O-DJ            H   9O   1C   5     G     300.0    5000.0  1421.0      1
   1.71585354E1  2.00714164E-2 -6.80036427E-6   1.0494546E-9   -6.06448E-14    2
   -2.3001964E3  -6.56450991E1  -2.82776159E0  6.66108052E-2 -4.69642741E-5    3
  1.61908885E-8-2.14323903E-12   4.50696134E3   4.14964636E1                   4
IC6KET1-1AO             H  11O   2C   6     G     300.0    5000.0  1678.0      1
   1.84147452E1  3.08132368E-2 -1.11494459E-5  1.80334629E-9-1.07789681E-13    2
  -3.12840099E4  -6.31815122E1   6.07415745E0  4.99570073E-2 -1.60313636E-5    3
 -1.95829206E-9 1.37255917E-12  -2.63224163E4   6.19163725E0                   4
IC6KET1-5O              H  11O   2C   6     G     300.0    5000.0  1678.0      1
   1.84147452E1  3.08132368E-2 -1.11494459E-5  1.80334629E-9-1.07789681E-13    2
  -3.12840099E4  -6.31815122E1   6.07415745E0  4.99570073E-2 -1.60313636E-5    3
 -1.95829206E-9 1.37255917E-12  -2.63224163E4   6.19163725E0                   4
IC6KET3-5O              H  11O   2C   6     G     300.0    5000.0  1434.0      1
   2.09313476E1  2.60809533E-2   -8.848852E-6  1.36696817E-9-7.90515539E-14    2
  -3.65741731E4  -7.93237866E1   4.42740953E0  5.22282893E-2 -1.60672257E-5    3
 -4.26339258E-9 2.39340735E-12  -2.97427961E4   1.34775459E1                   4
IC6KET4-5O              H  11O   2C   6     G     300.0    5000.0  1684.0      1
   2.01799049E1  2.86049191E-2 -1.02426545E-5  1.64766577E-9-9.81886848E-14    2
  -3.46301141E4  -7.42309021E1   4.77597016E0    5.757735E-2 -2.65617676E-5    3
  3.59691168E-9  3.4754297E-13  -2.89192514E4   1.05544814E1                   4
IC6KET5-4O              H  11O   2C   6     G     300.0    5000.0  1388.0      1
   2.41006345E1  2.44830542E-2 -8.53361302E-6  1.34187134E-9-7.85515717E-14    2
  -3.55135435E4  -9.69933812E1   1.40885455E0  7.45189502E-2 -4.96951711E-5    3
  1.63529614E-8-2.12582816E-12  -2.73455802E4   2.59152019E1                   4
IC6-3                   H  13C   6          G     300.0    5000.0  1399.0      1
   1.76918803E1  2.87079391E-2  -9.7177312E-6  1.49794653E-9-8.64662499E-14    2
  -6.83037894E3  -6.60149987E1 -1.06332871E-1  6.64118598E-2 -3.88050603E-5    3
   1.1046148E-8 -1.1735193E-12  -2.58318679E2   3.09499843E1                   4
IC6D2                   H  12C   6          G     300.0    5000.0  1391.0      1
   1.67173432E1  2.77327701E-2  -9.4533169E-6  1.46425458E-9-8.48139519E-14    2
  -1.68211019E4  -6.38929466E1  -1.41180086E0  6.56744984E-2  -3.8351088E-5    3
  1.08431829E-8-1.14697935E-12   -1.0056349E4   3.50816211E1                   4
IC6D1-3                 H  11C   6          G     300.0    5000.0  1382.0      1
   1.79450895E1  2.41816489E-2 -8.15643147E-6  1.25534181E-9-7.24184612E-14    2
   5.24649176E2  -6.96176883E1 -5.43272512E-1  6.35261882E-2 -3.84755357E-5    3
   1.1111223E-8-1.16714536E-12   7.29460409E3   3.09831599E1                   4
IC6D3-1                 H  11C   6          G     300.0    5000.0  1393.0      1
   1.66654912E1  2.54199176E-2 -8.69527428E-6  1.34987364E-9-7.83072891E-14    2
   8.27422566E3  -6.06093317E1 -1.55173078E-1  6.17745485E-2 -3.81226019E-5    3
  1.19879192E-8-1.53219038E-12   1.44589135E4   3.08517382E1                   4
IC6D4-3                 H  11C   6          G     300.0    5000.0  1395.0      1
   1.72265914E1  2.52380251E-2 -8.60469127E-6  1.33290746E-9-7.72072913E-14    2
   1.94120282E3  -6.74575525E1  -1.96852372E0    7.108351E-2 -5.13059184E-5    3
  1.97982711E-8-3.19043478E-12    8.5577875E3   3.53600489E1                   4
IC6OH3-2J               H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.06200396E1  2.79512317E-2 -9.36970548E-6  1.43455322E-9-8.24077315E-14    2
  -2.69796269E4  -7.85806003E1  1.75734172E-1  8.04434913E-2 -6.23882811E-5    3
   2.6236342E-8-4.55622752E-12  -2.03130699E4   2.96029291E1                   4
IC6OH5-4J               H  13O   1C   6     G     300.0    5000.0  1398.0      1
   2.04225562E1  2.85992638E-2 -9.69805673E-6  1.49661364E-9-8.64553186E-14    2
  -2.51229824E4  -7.63627445E1  3.81611879E-1  7.68847541E-2 -5.52744108E-5    3
  2.15272968E-8-3.52029893E-12   -1.8242128E4    3.0860023E1                   4
IC6OH3-2O2              H  13O   3C   6     G     300.0    5000.0  1404.0      1
    2.5438818E1   2.8670156E-2 -9.64939938E-6   1.4815683E-9-8.52829149E-14    2
  -4.94725271E4  -1.01830716E2  7.07399363E-1  9.42733624E-2 -7.79527834E-5    3
  3.42343974E-8-6.10246643E-12  -4.16482938E4   2.82431217E1                   4
IC6OH5-4O2              H  13O   3C   6     G     300.0    5000.0  1406.0      1
    2.5721752E1  2.84898989E-2  -9.6011653E-6   1.4755451E-9-8.49948368E-14    2
  -4.54622131E4  -1.00946169E2  1.13241155E-1  9.56156796E-2 -7.82861456E-5    3
  3.37538977E-8-5.89558733E-12  -3.73196625E4    3.3959469E1                   4
IC6-1OOH                H  14O   2C   6     G     300.0    5000.0  1396.0      1
   2.41795374E1   3.0464684E-2 -1.04281622E-5  1.61971909E-9-9.39970623E-14    2
  -4.19107191E4  -9.68411907E1 -8.25840304E-1  9.14459665E-2 -6.86305453E-5    3
  2.74250791E-8-4.54481673E-12  -3.34250138E4   3.66392633E1                   4
IC6-5OOH                H  14O   2C   6     G     300.0    5000.0  1396.0      1
   2.41795374E1   3.0464684E-2 -1.04281622E-5  1.61971909E-9-9.39970623E-14    2
  -4.19107191E4  -9.75306723E1 -8.25840304E-1  9.14459665E-2 -6.86305453E-5    3
  2.74250791E-8-4.54481673E-12  -3.34250138E4   3.59497816E1                   4
IC6-4O2                 H  13O   2C   6     G     300.0    5000.0  1403.0      1
   2.35197641E1  2.83480336E-2 -9.57548277E-6  1.47385117E-9-8.49865328E-14    2
  -2.64875417E4  -9.36227608E1  4.07679172E-1  8.73262014E-2 -6.85111162E-5    3
  2.86747562E-8-4.92285875E-12  -1.89426659E4   2.87604608E1                   4
IC6-3O                  H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.16430883E1   2.7950414E-2 -9.46755773E-6  1.46005628E-9-8.43070039E-14    2
  -2.48290221E4  -8.69331839E1  2.97939912E-1  7.92810367E-2 -5.71641907E-5    3
  2.18107525E-8-3.43610978E-12  -1.75627509E4   2.71807256E1                   4
IC6OOH1-2               H  13O   2C   6     G     300.0    5000.0  1390.0      1
    2.2356048E1  2.95342578E-2 -1.01214892E-5  1.57325923E-9-9.13464154E-14    2
  -1.87576877E4  -8.38006564E1   3.32796897E0  7.00287787E-2 -4.23232531E-5    3
  1.30004784E-8-1.62674278E-12    -1.167225E4   1.99309984E1                   4
IC6OOH2-1               H  13O   2C   6     G     300.0    5000.0  1397.0      1
   2.36424693E1  2.82818035E-2 -9.65376046E-6  1.49650637E-9-8.67250395E-14    2
  -2.08149971E4  -9.34645295E1   1.35635748E0  8.33424942E-2 -6.31977329E-5    3
  2.57636435E-8-4.36591292E-12  -1.33022848E4   2.52826551E1                   4
IC6OOH3-1               H  13O   2C   6     G     300.0    5000.0  1404.0      1
   2.38826112E1  2.76802325E-2 -9.35921931E-6  1.44153917E-9-8.31628916E-14    2
  -1.85779846E4  -9.29200734E1  8.47974954E-2  8.94437399E-2 -7.21494341E-5    3
  3.08718924E-8-5.38370837E-12  -1.09205492E4   3.27138898E1                   4
IC6OOH4-1               H  13O   2C   6     G     300.0    5000.0  1404.0      1
   2.38826112E1  2.76802325E-2 -9.35921931E-6  1.44153917E-9-8.31628916E-14    2
  -1.85779846E4  -9.29200734E1  8.47974954E-2  8.94437399E-2 -7.21494341E-5    3
  3.08718924E-8-5.38370837E-12  -1.09205492E4   3.27138898E1                   4
IC6OOH5-1               H  13O   2C   6     G     300.0    5000.0  1397.0      1
   2.36031683E1  2.84228813E-2 -9.72737022E-6  1.51068399E-9-8.76621516E-14    2
  -1.67791741E4  -9.09248725E1 -4.32236344E-1  8.78503366E-2 -6.73356147E-5    3
  2.74470522E-8-4.62159152E-12  -8.70854462E3   3.70819664E1                   4
IC6O1-1A                H  12O   1C   6     G     300.0    5000.0  1411.0      1
   1.97288693E1   2.7738011E-2 -9.36692251E-6  1.44177531E-9-8.31471903E-14    2
  -2.88630266E4   -8.1146339E1  -1.00515203E1  1.07108347E-1 -9.13501321E-5    3
  4.00557615E-8-7.01171645E-12  -1.95982216E4   7.51499619E1                   4
IC6O1-5                 H  12O   1C   6     G     300.0    5000.0  1413.0      1
    1.9205435E1  2.90738606E-2 -9.83877599E-6   1.5167207E-9-8.75677717E-14    2
  -4.12614577E4  -8.41404654E1  -1.14274005E1  1.07684676E-1  -8.7476311E-5    3
  3.63834685E-8-6.05800853E-12   -3.1465496E4   7.76430077E1                   4
IC6O3-4                 H  12O   1C   6     G     300.0    5000.0  1419.0      1
   2.12069407E1  2.52641574E-2 -8.34259957E-6  1.26442646E-9-7.21246528E-14    2
  -3.19038243E4  -8.85861218E1  -7.80802372E0  1.07522705E-1 -9.81428649E-5    3
  4.55195005E-8-8.29505907E-12  -2.34163897E4    6.1865941E1                   4
IC6OOH1-2O2             H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.80594544E1   2.9353804E-2 -1.00583209E-5  1.56336696E-9-9.07711669E-14    2
  -3.98489859E4  -1.12368673E2   2.46839894E0  9.34818014E-2 -7.32254455E-5    3
  3.04741768E-8-5.22121009E-12  -3.13374739E4   2.36268635E1                   4
IC6OOH2-1O2             H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.80594544E1   2.9353804E-2 -1.00583209E-5  1.56336696E-9-9.07711669E-14    2
  -3.98489859E4  -1.12368673E2   2.46839894E0  9.34818014E-2 -7.32254455E-5    3
  3.04741768E-8-5.22121009E-12  -3.13374739E4   2.36268635E1                   4
IC6OOH3-1O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.76716096E4   -1.1262741E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.90737259E4   2.89410866E1                   4
IC6OOH4-1O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.76716096E4   -1.1262741E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.90737259E4   2.89410866E1                   4
IC6OOH5-1O2             H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.82555332E1  2.93271863E-2 -1.00814406E-5  1.57044758E-9-9.13273355E-14    2
   -3.5906149E4  -1.11011545E2   1.14452901E0  9.67607404E-2 -7.57170659E-5    3
  3.11715453E-8-5.26427091E-12  -2.68655301E4   3.31956357E1                   4
IC6Q11A-2               H  13O   4C   6     G     300.0    5000.0  1388.0      1
   2.86397186E1  2.89499915E-2 -1.00368901E-5  1.57263268E-9-9.18315408E-14    2
  -3.06820936E4  -1.12613517E2   4.12134871E0  8.15174451E-2 -5.13259244E-5    3
  1.55448683E-8-1.77912947E-12  -2.17107282E4   2.07125268E1                   4
IC6Q13-4                H  13O   4C   6     G     300.0    5000.0  1401.0      1
   2.97280901E1  2.75258669E-2  -9.4345493E-6  1.46699908E-9-8.52095976E-14    2
  -3.16641748E4  -1.18291653E2   2.61941986E0  9.36471667E-2 -7.14788288E-5    3
  2.80541452E-8-4.46098334E-12  -2.25885788E4   2.62074125E1                   4
IC6Q15-2                H  13O   4C   6     G     300.0    5000.0  1388.0      1
   2.86397186E1  2.89499915E-2 -1.00368901E-5  1.57263268E-9-9.18315408E-14    2
  -3.06820936E4  -1.11637171E2   4.12134871E0  8.15174451E-2 -5.13259244E-5    3
  1.55448683E-8-1.77912947E-12  -2.17107282E4   2.16888731E1                   4
IC6Q24-1                H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.88636631E1  2.77417122E-2 -9.39097265E-6  1.44763468E-9 -8.3565199E-14    2
  -3.37834997E4  -1.15064846E2    2.9910123E0  9.65465421E-2 -8.11258404E-5    3
  3.58561028E-8 -6.4023247E-12  -2.56261543E4   2.09321941E1                   4
IC6Q25-3                H  13O   4C   6     G     300.0    5000.0  1395.0      1
   2.90368206E1   2.8347204E-2 -9.76814484E-6  1.52418487E-9 -8.8742428E-14    2
  -3.36481585E4  -1.16928724E2    3.3546703E0  8.96903387E-2 -6.64400702E-5    3
  2.56305369E-8-4.06236965E-12  -2.48510053E4    2.0543717E1                   4
IC6Q35-2                H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.82636521E1  2.85712336E-2 -9.74939834E-6  1.51123173E-9-8.75816221E-14    2
  -3.20814397E4  -1.10238959E2   4.68828632E0  8.41334402E-2 -5.99657113E-5    3
  2.22314084E-8-3.37866661E-12  -2.39553107E4   1.61799552E1                   4
IC6KET1-2               H  12O   3C   6     G     300.0    5000.0  1388.0      1
   2.79402532E1  2.56851321E-2 -8.99911441E-6  1.42006388E-9-8.33357422E-14    2
  -5.58866628E4  -1.16917365E2  7.07682566E-1  8.67168706E-2 -6.00451443E-5    3
  2.03293617E-8-2.69714819E-12  -4.62309673E4   3.01568821E1                   4
IC6KET3-1               H  12O   3C   6     G     300.0    5000.0  1397.0      1
   2.45290825E1  2.70776248E-2 -9.14931342E-6  1.40932623E-9-8.13332575E-14    2
  -5.56761582E4  -9.51703526E1   1.83276875E0  7.83180477E-2 -5.20901149E-5    3
  1.71916021E-8-2.21108905E-12  -4.77068422E4   2.72021983E1                   4
IC6KET4-1               H  12O   3C   6     G     300.0    5000.0  1401.0      1
   2.40517081E1  2.75131408E-2 -9.30110628E-6  1.43278784E-9-8.26777519E-14    2
  -5.55274205E4  -9.19473781E1   1.85175266E0  7.96992583E-2 -5.60012949E-5    3
  2.03491129E-8-3.00726611E-12   -4.7896183E4   2.70864129E1                   4
IC6KET5-1               H  12O   3C   6     G     300.0    5000.0  1395.0      1
   2.56142213E1  2.67327809E-2 -9.15387974E-6  1.42259367E-9-8.26043938E-14    2
  -5.21667914E4  -1.01217573E2   1.02941803E0  8.36775498E-2 -5.90371169E-5    3
  2.10753439E-8-3.02178203E-12  -4.36403804E4   3.08903064E1                   4
IC6D1-1AOOH             H  12O   2C   6     G     300.0    5000.0  1389.0      1
   2.44876872E1  2.59630343E-2 -8.97487173E-6   1.4035625E-9-8.18537123E-14    2
  -2.64220418E4  -9.75179668E1 -8.72930937E-1  8.80918999E-2 -6.86166798E-5    3
  2.80395309E-8-4.71558753E-12  -1.78479535E4   3.77559257E1                   4
IC6D2-1OOH              H  12O   2C   6     G     300.0    5000.0  1388.0      1
    2.3738613E1  2.65627484E-2 -9.17489847E-6  1.43416955E-9-8.36139894E-14    2
  -2.71400423E4  -9.42594144E1  -1.41568941E0  8.62839108E-2 -6.41707688E-5    3
  2.48593998E-8-3.97049195E-12   -1.8464482E4    4.0557128E1                   4
IC6D3-2OOH              H  12O   2C   6     G     300.0    5000.0  1394.0      1
   2.42720701E1  2.58675433E-2 -8.87824855E-6  1.38168576E-9 -8.0299875E-14    2
  -3.20578018E4  -9.90675873E1  6.12995144E-1  8.39494302E-2 -6.45533624E-5    3
  2.61074472E-8-4.34281192E-12  -2.40928186E4   2.70490021E1                   4
IC6D4-3OOH              H  12O   2C   6     G     300.0    5000.0  1397.0      1
   2.59313592E1  2.40067755E-2 -8.14723103E-6  1.25912355E-9-7.28468563E-14    2
  -2.77841923E4  -1.08679533E2  -3.49707753E0  1.01886899E-1 -8.84148519E-5    3
  3.91857023E-8-6.93114675E-12  -1.85363498E4   4.60333912E1                   4
IC6O12-4OOH             H  12O   3C   6     G     300.0    5000.0  1437.0      1
   2.75009199E1  2.47814716E-2 -8.32166736E-6    1.277043E-9-7.35245468E-14    2
  -4.51175672E4  -1.16619334E2  -1.85378717E0  9.60969233E-2  -7.3017121E-5    3
   2.7174673E-8 -3.9146836E-12  -3.54755301E4   3.95942211E1                   4
IC6O14-2OOH             H  12O   3C   6     G     300.0    5000.0  1416.0      1
   2.45114432E1  2.79287725E-2 -9.34445844E-6  1.42941038E-9-8.20790653E-14    2
  -5.61119202E4  -1.03684285E2  -8.87578513E0  1.19845702E-1 -1.06966997E-4    3
  4.84146437E-8-8.64551627E-12  -4.60695762E4   7.04153534E1                   4
IC6O15-4OOH             H  12O   3C   6     G     300.0    5000.0  1413.0      1
   2.54698062E1  2.80845533E-2 -9.51849162E-6  1.46909112E-9-8.48957873E-14    2
  -5.47653425E4  -1.12742058E2  -1.05926198E1  1.25173198E-1 -1.10349165E-4    3
  4.90152423E-8-8.59995303E-12  -4.37024075E4   7.60813521E1                   4
IC6O24-1OOH             H  12O   3C   6     G     300.0    5000.0  1410.0      1
    2.5682206E1  2.73947268E-2 -9.35520468E-6  1.45133976E-9-8.41740242E-14    2
  -4.57228307E4  -1.08354659E2  -4.33743355E0  1.00816181E-1 -7.76149128E-5    3
  3.00490033E-8-4.62880025E-12  -3.57902336E4   5.14262654E1                   4
IC6O25-3OOH             H  12O   3C   6     G     300.0    5000.0  1427.0      1
   2.42116697E1  2.78121903E-2 -9.22800207E-6   1.4037388E-9-8.02946672E-14    2
  -5.49637262E4  -1.01209612E2  -5.35699726E0  1.04412438E-1 -8.49086147E-5    3
  3.50965751E-8-5.75607114E-12  -4.56665872E4   5.45526193E1                   4
IC6O34-5OOH             H  12O   3C   6     G     300.0    5000.0  1423.0      1
   2.69827581E1  2.48709957E-2 -8.27112467E-6  1.26037007E-9-7.21888557E-14    2
  -4.34521659E4  -1.13076366E2  -4.78337927E0  1.11026013E-1 -9.78075019E-5    3
  4.32627328E-8-7.52427497E-12  -3.38386439E4   5.29123184E1                   4
IC4H9CO                 H   9O   1C   5     G     300.0    5000.0  1381.0      1
   1.66912451E1  2.00750158E-2 -6.81146431E-6  1.05242707E-9-6.08743184E-14    2
  -1.79850312E4  -6.01715526E1   1.62335066E0  5.25605407E-2 -3.28103015E-5    3
  1.02340893E-8-1.26866743E-12  -1.24643454E4   2.17446946E1                   4
IC6Q11A-3               H  13O   4C   6     G     300.0    5000.0  1388.0      1
   2.97301826E1  2.81292544E-2 -9.78152717E-6  1.53601594E-9-8.98418881E-14    2
  -3.05261445E4  -1.18765407E2   2.09281309E0  8.59310472E-2 -5.21065266E-5    3
  1.36421501E-8-1.01209151E-12  -2.04010066E4   3.18146455E1                   4
IC6Q12-5                H  13O   4C   6     G     300.0    5000.0  1398.0      1
   2.84478009E1  2.86121327E-2 -9.80560214E-6  1.52426672E-9-8.85092465E-14    2
  -3.19432934E4  -1.12483522E2    2.0422644E0  9.60276422E-2 -7.74862294E-5    3
  3.30264072E-8-5.75337749E-12  -2.32987776E4    2.7376076E1                   4
IC6Q15-1A               H  13O   4C   6     G     300.0    5000.0  1398.0      1
   2.86569198E1  2.85943619E-2 -9.83609616E-6  1.53294188E-9-8.91759942E-14    2
  -2.80104002E4  -1.11219116E2  7.09941186E-1  9.93385589E-2 -7.99807927E-5    3
  3.37137761E-8-5.79337241E-12  -1.88256905E4   3.69786579E1                   4
IC6Q35-1                H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.87907341E1  2.79213078E-2 -9.47982659E-6  1.46437657E-9-8.46585027E-14    2
  -2.97321242E4  -1.12326939E2   1.31093011E0  1.00610044E-1 -8.46773261E-5    3
  3.72158759E-8-6.59316092E-12  -2.10495891E4   3.22223978E1                   4
IC6O35-2OOH             H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.58403122E1  2.63165185E-2 -8.86937543E-6  1.36371114E-9-7.85964059E-14    2
  -4.63728597E4  -1.11547051E2  -5.45556282E0   1.0901352E-1 -9.29189387E-5    3
  4.01105272E-8-6.86598983E-12  -3.66358787E4   5.28384064E1                   4
IC3H7CHCO               H   8O   1C   5     G     300.0    5000.0  1403.0      1
   1.27999036E1  1.88236143E-2 -7.67164267E-6  1.48889832E-9-1.02670858E-13    2
  -2.62230789E4  -4.30669155E1   1.2931735E-1  5.08927115E-2 -3.94869422E-5    3
  1.60902182E-8-2.68900579E-12  -2.20526986E4   2.41325288E1                   4
IC6O15-1AOOH            H  12O   3C   6     G     300.0    5000.0  1407.0      1
   2.44946455E1  2.93939492E-2 -1.00749391E-5  1.56673375E-9-9.10137753E-14    2
   -5.2663602E4  -1.05963214E2  -8.91049515E0  1.13512494E-1 -9.15105871E-5    3
  3.74462563E-8-6.13159725E-12  -4.18072409E4   7.10557824E1                   4
IC6O11A-4OOH            H  12O   3C   6     G     300.0    5000.0  1420.0      1
   2.59840233E1  2.65023469E-2 -8.91061643E-6  1.36799801E-9-7.87661048E-14    2
  -4.23551574E4  -1.08916526E2  -6.43386709E0  1.11415608E-1 -9.40578777E-5    3
  3.99621278E-8-6.71300157E-12  -3.22333313E4    6.1562634E1                   4
C5H91-5O                H   9O   1C   5     G     300.0    5000.0  1392.0      1
   1.66619605E1  2.08300681E-2 -7.13140667E-6   1.1079448E-9-6.43137251E-14    2
  -2.24563895E3   -5.9218031E1   2.15724261E0  4.98017641E-2 -2.69227063E-5    3
  6.03801347E-9-2.70047762E-13   3.25761579E3   2.03807693E1                   4
IC6KET1-2O              H  11O   2C   6     G     300.0    5000.0  1479.0      1
   2.50319097E1  2.41409414E-2  -8.5214618E-6  1.35152255E-9 -7.9597297E-14    2
   -3.6218168E4  -1.04624306E2   3.70417518E0  5.81789275E-2 -1.86414586E-5    3
  -5.1804796E-9 2.89957058E-12  -2.73918943E4   1.52560975E1                   4
IC6KET3-1O              H  11O   2C   6     G     300.0    5000.0  1434.0      1
   2.09313476E1  2.60809533E-2   -8.848852E-6  1.36696817E-9-7.90515539E-14    2
  -3.65741731E4   -7.8634305E1   4.42740953E0  5.22282893E-2 -1.60672257E-5    3
 -4.26339258E-9 2.39340735E-12  -2.97427961E4   1.41670276E1                   4
IC6KET4-1O              H  11O   2C   6     G     300.0    5000.0  1412.0      1
   2.16133489E1  2.49939939E-2 -8.36160307E-6   1.2792078E-9-7.34674679E-14    2
  -3.62322377E4  -8.13251803E1    3.1955869E0  6.41297322E-2  -3.7619001E-5    3
  9.91260424E-9-7.81527791E-13   -2.9569505E4   1.87628451E1                   4
IC6KET5-1O              H  11O   2C   6     G     300.0    5000.0  1400.0      1
   2.28856959E1  2.47009771E-2 -8.43009216E-6  1.30720828E-9-7.57877678E-14    2
  -3.35767167E4  -8.89936744E1   2.41192107E0  6.80371734E-2 -4.08536724E-5    3
  1.09967095E-8  -9.178141E-13  -2.61262093E4   2.23734605E1                   4
IC6-4                   H  13C   6          G     300.0    5000.0  1399.0      1
   1.76918803E1  2.87079391E-2  -9.7177312E-6  1.49794653E-9-8.64662499E-14    2
  -6.83037894E3  -6.60149987E1 -1.06332871E-1  6.64118598E-2 -3.88050603E-5    3
   1.1046148E-8 -1.1735193E-12  -2.58318679E2   3.09499843E1                   4
IC6D1-4                 H  11C   6          G     300.0    5000.0  1395.0      1
   1.60761951E1  2.56239876E-2 -8.70238175E-6  1.34457208E-9 -7.7744801E-14    2
   7.68612937E3  -5.62929869E1  6.57038631E-1  5.51364409E-2 -2.70471722E-5    3
  4.70778826E-9  1.3838491E-13   1.36676036E4   2.87835603E1                   4
IC6OH1-2J               H  13O   1C   6     G     300.0    5000.0  1398.0      1
   2.04225562E1  2.85992638E-2 -9.69805673E-6  1.49661364E-9-8.64553186E-14    2
  -2.51229824E4  -7.63627445E1  3.81611879E-1  7.68847541E-2 -5.52744108E-5    3
  2.15272968E-8-3.52029893E-12   -1.8242128E4    3.0860023E1                   4
IC6OH3-4J               H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.06200396E1  2.79512317E-2 -9.36970548E-6  1.43455322E-9-8.24077315E-14    2
  -2.69796269E4  -7.78860859E1  1.75734172E-1  8.04434913E-2 -6.23882811E-5    3
   2.6236342E-8-4.55622752E-12  -2.03130699E4   3.02974435E1                   4
IC6OH1-2O2              H  13O   3C   6     G     300.0    5000.0  1399.0      1
   2.52683494E1   2.9271575E-2 -9.95693432E-6  1.53992445E-9-8.90975819E-14    2
  -4.76248121E4  -9.97662144E1  9.17623566E-1  9.06796326E-2 -7.07492967E-5    3
  2.94426385E-8-5.04330174E-12  -3.95777318E4   2.94775531E1                   4
IC6OH3-4O2              H  13O   3C   6     G     300.0    5000.0  1410.0      1
   2.59693081E1  2.77679376E-2 -9.24176432E-6  1.40816622E-9-8.06216976E-14    2
  -4.73404458E4  -1.02754238E2 -1.05892224E-1  9.92345391E-2     -8.5477E-5    3
  3.84994692E-8-6.93819586E-12  -3.93887134E4   3.34576016E1                   4
IC6D1-3O                H  11O   1C   6     G     300.0    5000.0  1384.0      1
   2.10305724E1  2.49365132E-2 -8.68085449E-6  1.36370625E-9 -7.9770347E-14    2
  -1.04401552E4  -8.27122496E1   1.69647522E0  6.68386417E-2 -4.31403442E-5    3
   1.4295487E-8-1.96999981E-12  -3.30392763E3   2.24428425E1                   4
IC6-2OOH                H  14O   2C   6     G     300.0    5000.0  1397.0      1
   2.40525486E1  3.04203835E-2  -1.0378242E-5  1.60824094E-9-9.31770921E-14    2
  -4.58867419E4  -9.92920256E1  4.25540516E-1  8.84022461E-2  -6.6307056E-5    3
  2.67445276E-8-4.49189002E-12  -3.78843521E4   2.67362302E1                   4
IC6-1O2                 H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.31943292E1  2.91625406E-2 -9.97515209E-6  1.54857588E-9-8.98361301E-14    2
   -2.4671703E4  -9.06789698E1  2.31211875E-2  8.51695617E-2 -6.29170121E-5    3
  2.48086173E-8-4.07114345E-12  -1.67511889E4   3.32001946E1                   4
IC6-5O2                 H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.31943292E1  2.91625406E-2 -9.97515209E-6  1.54857588E-9-8.98361301E-14    2
   -2.4671703E4  -9.13684514E1  2.31211875E-2  8.51695617E-2 -6.29170121E-5    3
  2.48086173E-8-4.07114345E-12  -1.67511889E4    3.2510713E1                   4
IC6-4O                  H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.16430883E1   2.7950414E-2 -9.46755773E-6  1.46005628E-9-8.43070039E-14    2
  -2.48290221E4  -8.69331839E1  2.97939912E-1  7.92810367E-2 -5.71641907E-5    3
  2.18107525E-8-3.43610978E-12  -1.75627509E4   2.71807256E1                   4
IC6OOH1-3               H  13O   2C   6     G     300.0    5000.0  1400.0      1
    2.2756546E1   2.8867201E-2 -9.82140805E-6  1.51931586E-9 -8.7923886E-14    2
  -1.80621476E4  -8.56750466E1  9.77156861E-1  7.82364698E-2 -5.19978751E-5    3
  1.76653028E-8-2.42451047E-12  -1.03687389E4   3.17916264E1                   4
IC6OOH2-3               H  13O   2C   6     G     300.0    5000.0  1395.0      1
   2.32436576E1   2.8621132E-2 -9.77087392E-6  1.51478755E-9-8.77893269E-14    2
  -2.20135999E4  -9.21246743E1   2.35943186E0  7.82040973E-2 -5.57861327E-5    3
  2.14038334E-8-3.44935825E-12  -1.47639325E4   1.98808206E1                   4
IC6OOH3-2               H  13O   2C   6     G     300.0    5000.0  1399.0      1
   2.26746302E1  2.87386448E-2 -9.73083224E-6   1.5001707E-9-8.66004392E-14    2
  -2.05680516E4  -8.67064578E1   3.70469547E0   7.2301888E-2 -4.81516187E-5    3
  1.70383089E-8-2.52040538E-12  -1.38648185E4   1.55051053E1                   4
IC6OOH4-2               H  13O   2C   6     G     300.0    5000.0  1399.0      1
   2.27647262E1  2.87475241E-2 -9.75464704E-6  1.50619719E-9-8.70494416E-14    2
  -2.06889158E4  -8.71736112E1   2.85662545E0  7.28101958E-2 -4.61775548E-5    3
  1.48461962E-8-1.90797116E-12  -1.35372374E4   2.05990705E1                   4
IC6OOH5-2               H  13O   2C   6     G     300.0    5000.0  1389.0      1
   2.25579274E1   2.9370503E-2 -1.00693056E-5  1.56576873E-9-9.09432886E-14    2
  -1.89119619E4   -8.5570316E1    2.4187702E0  7.07951656E-2 -4.05586206E-5    3
  1.08098334E-8-9.90529877E-13  -1.13360779E4   2.46160712E1                   4
IC6O1-2                 H  12O   1C   6     G     300.0    5000.0  1417.0      1
    1.9986407E1  2.67788716E-2 -8.96822735E-6   1.3726259E-9-7.88454641E-14    2
  -3.08872212E4  -8.10350069E1  -3.13118477E0  8.33583436E-2 -6.16639677E-5    3
  2.34998348E-8-3.60202603E-12  -2.32326447E4   4.20093389E1                   4
IC6O2-3                 H  12O   1C   6     G     300.0    5000.0  1412.0      1
   2.11037266E1  2.62653465E-2 -8.88659835E-6  1.36977373E-9-7.90779249E-14    2
  -3.34696255E4  -8.94032876E1  -3.93908827E0  8.75947269E-2 -6.61476948E-5    3
  2.55302342E-8-3.95474691E-12   -2.5172478E4   4.38907514E1                   4
IC6O3-5                 H  12O   1C   6     G     300.0    5000.0  1416.0      1
   2.00254749E1  2.70583523E-2 -9.04012984E-6  1.38132006E-9-7.92500917E-14    2
  -3.07791434E4  -8.32858647E1  -9.84643273E0  1.08812068E-1 -9.54733501E-5    3
  4.28480505E-8-7.62074807E-12   -2.1732079E4   7.26770739E1                   4
IC6OOH1-3O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.76716096E4   -1.1262741E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.90737259E4   2.89410866E1                   4
IC6OOH2-3O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84533536E1  2.84966642E-2 -9.64742519E-6   1.4872567E-9 -8.5855889E-14    2
  -4.17008071E4  -1.15728264E2   2.68047404E0  9.63995693E-2 -7.98384784E-5    3
  3.49248904E-8-6.19589877E-12  -3.35034499E4   1.99833037E1                   4
IC6OOH3-2O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84533536E1  2.84966642E-2 -9.64742519E-6   1.4872567E-9 -8.5855889E-14    2
  -4.17008071E4  -1.15728264E2   2.68047404E0  9.63995693E-2 -7.98384784E-5    3
  3.49248904E-8-6.19589877E-12  -3.35034499E4   1.99833037E1                   4
IC6OOH4-2O2             H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84533536E1  2.84966642E-2 -9.64742519E-6   1.4872567E-9 -8.5855889E-14    2
  -4.17008071E4  -1.15728264E2   2.68047404E0  9.63995693E-2 -7.98384784E-5    3
  3.49248904E-8-6.19589877E-12  -3.35034499E4   1.99833037E1                   4
IC6OOH5-2O2             H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.80594544E1   2.9353804E-2 -1.00583209E-5  1.56336696E-9-9.07711669E-14    2
  -3.98489859E4  -1.13058154E2   2.46839894E0  9.34818014E-2 -7.32254455E-5    3
  3.04741768E-8-5.22121009E-12  -3.13374739E4   2.29373818E1                   4
IC6Q12-1A               H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.93810349E1  2.80377187E-2 -9.65752632E-6  1.50651041E-9-8.76966356E-14    2
  -3.24158117E4  -1.17926169E2   2.42491395E0  9.46094298E-2   -7.371453E-5    3
   2.9979214E-8-4.98635942E-12  -2.34026561E4   2.55872185E1                   4
IC6Q14-2                H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.82636521E1  2.85712336E-2 -9.74939834E-6  1.51123173E-9-8.75816221E-14    2
  -3.20814397E4  -1.09549477E2   4.68828632E0  8.41334402E-2 -5.99657113E-5    3
  2.22314084E-8-3.37866661E-12  -2.39553107E4   1.68694368E1                   4
IC6Q15-4                H  13O   4C   6     G     300.0    5000.0  1394.0      1
   2.91168261E1  2.84094251E-2 -9.81958153E-6  1.53542938E-9-8.95302441E-14    2
  -2.96552809E4   -1.1420119E2   2.25890354E0  9.18814082E-2 -6.74652701E-5    3
  2.55026104E-8-3.93659605E-12  -2.04101226E4   2.97684593E1                   4
IC6Q24-3                H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.86844331E1  2.79664258E-2 -9.48461582E-6  1.46393909E-9-8.45830782E-14    2
  -3.50942711E4  -1.15052206E2   3.81337166E0    9.223653E-2 -7.45265127E-5    3
  3.18261613E-8-5.53572962E-12  -2.70641928E4   1.63463053E1                   4
IC6Q25-4                H  13O   4C   6     G     300.0    5000.0  1395.0      1
   2.90368206E1   2.8347204E-2 -9.76814484E-6  1.52418487E-9 -8.8742428E-14    2
  -3.36481585E4  -1.16928724E2    3.3546703E0  8.96903387E-2 -6.64400702E-5    3
  2.56305369E-8-4.06236965E-12  -2.48510053E4    2.0543717E1                   4
IC6Q35-4                H  13O   4C   6     G     300.0    5000.0  1401.0      1
   2.97280901E1  2.75258669E-2  -9.4345493E-6  1.46699908E-9-8.52095976E-14    2
  -3.16641748E4  -1.18981135E2   2.61941986E0  9.36471667E-2 -7.14788288E-5    3
  2.80541452E-8-4.46098334E-12  -2.25885788E4   2.55179309E1                   4
IC6KET1-3               H  12O   3C   6     G     300.0    5000.0  1388.0      1
   2.68627736E1  2.60449817E-2 -9.00157328E-6  1.40786874E-9-8.21195703E-14    2
  -5.53675568E4  -1.09618827E2   3.03151256E0   7.4134844E-2 -4.15943936E-5    3
  8.99151177E-9-1.91225043E-13   -4.6486243E4   2.08036999E1                   4
IC6KET3-2               H  12O   3C   6     G     300.0    5000.0  1392.0      1
   2.62253085E1  2.63949405E-2  -9.0789263E-6  1.41534498E-9-8.23662271E-14    2
  -5.88647737E4  -1.08050318E2   2.30803354E0  7.77420023E-2 -4.86803444E-5    3
  1.40719774E-8-1.40377695E-12  -5.02126553E4   2.18278595E1                   4
IC6KET4-2               H  12O   3C   6     G     300.0    5000.0  1399.0      1
    2.4279498E1  2.68768547E-2 -8.98985221E-6  1.37511651E-9-7.89663537E-14    2
  -5.96314387E4   -9.6369976E1   2.82693202E0  7.77335745E-2 -5.49311795E-5    3
  2.01739022E-8-3.01654563E-12  -5.23109831E4   1.84870145E1                   4
IC6KET5-2               H  12O   3C   6     G     300.0    5000.0  1395.0      1
   2.55393215E1  2.66216944E-2 -9.07672516E-6  1.40648832E-9 -8.1501651E-14    2
  -5.61660401E4  -1.03975297E2   2.15129464E0   8.1201618E-2 -5.75192603E-5    3
  2.08692225E-8-3.06969394E-12  -4.80801157E4   2.15826327E1                   4
IC6D1-3OOH              H  12O   2C   6     G     300.0    5000.0  1396.0      1
   2.54990466E1  2.47023774E-2 -8.45500661E-6  1.31386321E-9-7.62940906E-14    2
   -2.8693484E4  -1.05963485E2  -2.61869832E0  9.63886277E-2 -7.94723023E-5    3
  3.36308758E-8-5.73111426E-12  -1.95786689E4   4.28356563E1                   4
IC6D2-4OOH              H  12O   2C   6     G     300.0    5000.0  1394.0      1
   2.48512547E1  2.51474991E-2 -8.58870786E-6  1.33292873E-9-7.73392769E-14    2
  -2.94515179E4  -1.03270885E2  -3.17292989E0  9.45763913E-2  -7.4895622E-5    3
  3.02904117E-8-4.93725104E-12  -2.01924494E4   4.57040347E1                   4
IC6D3-5OOH              H  12O   2C   6     G     300.0    5000.0  1388.0      1
   2.44604371E1  2.59103713E-2 -8.94131182E-6  1.39682861E-9-8.14044638E-14    2
  -2.72232794E4  -9.86265814E1  -6.9562416E-1  8.66261123E-2 -6.60293629E-5    3
  2.62816374E-8-4.30547222E-12  -1.86453822E4   3.58494354E1                   4
IC6O11A-2OOH            H  12O   3C   6     G     300.0    5000.0  1424.0      1
   2.55056938E1  2.68109491E-2 -8.99724565E-6  1.37959193E-9-7.93673183E-14    2
  -4.44072822E4   -1.0802937E2   -5.7448111E0  1.06487554E-1 -8.62661669E-5    3
  3.50921462E-8-5.64171006E-12  -3.44586223E4   5.70391125E1                   4
IC6O12-5OOH             H  12O   3C   6     G     300.0    5000.0  1414.0      1
   2.50158514E1  2.69694918E-2  -9.0827176E-6  1.39565839E-9-8.03982034E-14    2
   -4.2107532E4  -1.01184336E2  -2.19365284E0  9.57573665E-2 -7.57246698E-5    3
  3.06677771E-8 -4.9757011E-12  -3.33184373E4   4.28608483E1                   4
IC6O14-3OOH             H  12O   3C   6     G     300.0    5000.0  1419.0      1
   2.53459628E1  2.71235608E-2 -9.04838436E-6  1.38152028E-9-7.92299601E-14    2
  -5.42447086E4  -1.06698314E2  -1.00562196E1  1.25668356E-1 -1.14542415E-4    3
  5.24045313E-8-9.40214183E-12  -4.37378632E4   7.74693666E1                   4
IC6O23-1OOH             H  12O   3C   6     G     300.0    5000.0  1421.0      1
    2.6746271E1  2.56215292E-2 -8.64959731E-6  1.33175431E-9-7.68390745E-14    2
  -4.48759727E4  -1.12235905E2   -2.3683234E0  9.74580017E-2 -7.56113605E-5    3
  2.92504118E-8-4.45746156E-12  -3.53685753E4   4.23992527E1                   4
IC6O24-3OOH             H  12O   3C   6     G     300.0    5000.0  1418.0      1
   2.60192457E1  2.65134473E-2  -8.9221213E-6  1.37048372E-9-7.89353426E-14    2
   -4.7490069E4  -1.11225784E2  -3.13163575E0  1.00405759E-1 -8.03734722E-5    3
  3.25529562E-8-5.24024864E-12  -3.81349387E4   4.29583366E1                   4
IC6O25-4OOH             H  12O   3C   6     G     300.0    5000.0  1427.0      1
   2.42116697E1  2.78121903E-2 -9.22800207E-6   1.4037388E-9-8.02946672E-14    2
  -5.49637262E4  -1.01209612E2  -5.35699726E0  1.04412438E-1 -8.49086147E-5    3
  3.50965751E-8-5.75607114E-12  -4.56665872E4   5.45526193E1                   4
IC6O45-1OOH             H  12O   3C   6     G     300.0    5000.0  1417.0      1
   2.64688649E1  2.57067227E-2 -8.64365205E-6  1.32698519E-9-7.64009301E-14    2
  -4.14265385E4  -1.08944908E2  -4.74461755E0  1.08241134E-1 -9.24238746E-5    3
  3.98384199E-8-6.79543614E-12  -3.17393793E4   5.49570062E1                   4
IC6D13                  H  10C   6          G     300.0    5000.0  1395.0      1
   1.66195804E1  2.33323794E-2 -7.97401582E-6  1.23713203E-9-7.17351135E-14    2
   -2.5060448E3  -6.45600515E1  -1.37056441E0   6.7330954E-2 -5.03614458E-5    3
  2.03121843E-8-3.42115776E-12   3.61505122E3   3.14758039E1                   4
IC6Q11A-4               H  13O   4C   6     G     300.0    5000.0  1388.0      1
   2.97301826E1  2.81292544E-2 -9.78152717E-6  1.53601594E-9-8.98418881E-14    2
  -3.05261445E4  -1.18765407E2   2.09281309E0  8.59310472E-2 -5.21065266E-5    3
  1.36421501E-8-1.01209151E-12  -2.04010066E4   3.18146455E1                   4
IC6Q13-1A               H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.87907341E1  2.79213078E-2 -9.47982659E-6  1.46437657E-9-8.46585027E-14    2
  -2.97321242E4  -1.12326939E2   1.31093011E0  1.00610044E-1 -8.46773261E-5    3
  3.72158759E-8-6.59316092E-12  -2.10495891E4   3.22223978E1                   4
IC6Q15-3                H  13O   4C   6     G     300.0    5000.0  1388.0      1
   2.97301826E1  2.81292544E-2 -9.78152717E-6  1.53601594E-9-8.98418881E-14    2
  -3.05261445E4  -1.18075926E2   2.09281309E0  8.59310472E-2 -5.21065266E-5    3
  1.36421501E-8-1.01209151E-12  -2.04010066E4   3.25041271E1                   4
IC6Q45-1                H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.87907341E1  2.79213078E-2 -9.47982659E-6  1.46437657E-9-8.46585027E-14    2
  -2.97321242E4  -1.12326939E2   1.31093011E0  1.00610044E-1 -8.46773261E-5    3
  3.72158759E-8-6.59316092E-12  -2.10495891E4   3.22223978E1                   4
IC6O35-4OOH             H  12O   3C   6     G     300.0    5000.0  1425.0      1
    2.6488248E1  2.56655381E-2 -8.53590969E-6  1.30087301E-9-7.45180217E-14    2
  -4.43754365E4  -1.12297954E2  -6.46697897E0  1.14174849E-1 -9.94352591E-5    3
  4.33950643E-8-7.44543192E-12  -3.43332115E4   6.01825346E1                   4
IC6O11A-3OOH            H  12O   3C   6     G     300.0    5000.0  1420.0      1
   2.59840233E1  2.65023469E-2 -8.91061643E-6  1.36799801E-9-7.87661048E-14    2
  -4.23551574E4  -1.08916526E2  -6.43386709E0  1.11415608E-1 -9.40578777E-5    3
  3.99621278E-8-6.71300157E-12  -3.22333313E4    6.1562634E1                   4
IC6O11A-5OOH            H  12O   3C   6     G     300.0    5000.0  1410.0      1
   2.49058216E1  2.77918207E-2 -9.43230737E-6  1.45699263E-9-8.42403064E-14    2
  -4.01120423E4  -1.02075592E2  -8.41646308E0  1.17072831E-1 -1.02019308E-4    3
  4.51817232E-8-7.94300564E-12  -2.98099111E4   7.26145024E1                   4
CC4H7O-IJ               H   7O   1C   4     G     300.0    5000.0  1437.0      1
   1.24587912E1  1.60096019E-2 -5.13639612E-6 7.63502061E-10-4.29681784E-14    2
   4.90057475E3  -4.15699259E1  -6.19089915E0  6.66122405E-2 -5.73467325E-5    3
  2.49294194E-8-4.25546334E-12   1.04970008E4   5.57971559E1                   4
C5H91-4O                H   9O   1C   5     G     300.0    5000.0  1411.0      1
    1.6890677E1  2.00470772E-2 -6.73340865E-6  1.03267574E-9-5.94045214E-14    2
  -4.07949099E3  -6.08366107E1   2.06124901E0  5.30292738E-2  -3.3612782E-5    3
  1.04324809E-8-1.21982694E-12   1.16547075E3   1.92746426E1                   4
IC6KET1-3O              H  11O   2C   6     G     300.0    5000.0  1404.0      1
   2.20687296E1  2.53046596E-2 -8.61385806E-6  1.33298744E-9 -7.7160084E-14    2
  -3.48152328E4  -8.45765124E1   2.73918546E0  6.86589684E-2 -4.48648325E-5    3
  1.47084949E-8-1.90415225E-12  -2.79641697E4   1.98015405E1                   4
IC6KET3-2O              H  11O   2C   6     G     300.0    5000.0  1427.0      1
   2.32813626E1  2.40994876E-2 -8.17752071E-6  1.26413211E-9-7.31637858E-14    2
  -3.88463003E4  -9.47562686E1   4.93129919E0  5.42749248E-2 -1.81582679E-5    3
 -3.84483828E-9 2.44926121E-12  -3.14057326E4   7.96170872E0                   4
IC6KET4-2O              H  11O   2C   6     G     300.0    5000.0  1545.0      1
    2.2274395E1  2.46603676E-2 -8.30510853E-6  1.27711632E-9-7.36369614E-14    2
  -3.98933326E4  -8.76142127E1   5.58493589E0  5.37232679E-2 -2.14367471E-5    3
-1.47202791E-10 1.39828955E-12  -3.32147359E4   5.35761689E0                   4
IC6KET5-2O              H  11O   2C   6     G     300.0    5000.0  1684.0      1
    2.0425166E1  2.84825575E-2 -1.02006108E-5  1.63957872E-9 -9.7606608E-14    2
   -3.5479631E4  -7.68926591E1   4.08883205E0   6.1693643E-2 -3.23611258E-5    3
  6.78045374E-9 -2.5896542E-13  -2.96825033E4   1.21041822E1                   4
I3C6                    H  14C   6          G     300.0    5000.0  1395.0      1
   1.91261497E1  3.02923612E-2  -1.0319071E-5  1.59739955E-9-9.24795368E-14    2
  -3.02757036E4  -7.72356536E1  -1.96654899E0  7.99747088E-2 -5.60285021E-5    3
  2.11909062E-8-3.38092129E-12  -2.29061224E4   3.60413086E1                   4
I3C6-2                  H  13C   6          G     300.0    5000.0  1399.0      1
   1.76918803E1  2.87079391E-2  -9.7177312E-6  1.49794653E-9-8.64662499E-14    2
  -6.42776193E3  -6.53255171E1 -1.06332871E-1  6.64118598E-2 -3.88050603E-5    3
   1.1046148E-8 -1.1735193E-12   1.44298334E2    3.1639466E1                   4
I3C6D2                  H  12C   6          G     300.0    5000.0  1391.0      1
   1.67173432E1  2.77327701E-2  -9.4533169E-6  1.46425458E-9-8.48139519E-14    2
  -1.68211019E4  -6.38929466E1  -1.41180086E0  6.56744984E-2  -3.8351088E-5    3
  1.08431829E-8-1.14697935E-12   -1.0056349E4   3.50816211E1                   4
I3C6D1-5                H  11C   6          G     300.0    5000.0  1398.0      1
   1.66110857E1  2.52471277E-2 -8.58934301E-6  1.32868114E-9-7.68901099E-14    2
   8.01581001E3  -5.92786504E1 -4.59832762E-1  6.08412541E-2 -3.50511287E-5    3
  9.34427858E-9-8.29144025E-13   1.43475465E4   3.38786051E1                   4
I3C6D3-1                H  11C   6          G     300.0    5000.0  1393.0      1
   1.66173114E1  2.52409297E-2 -8.58703166E-6  1.32830316E-9-7.68674005E-14    2
   9.11728436E3  -5.98272402E1 -8.36604831E-1  6.39827718E-2  -4.1090595E-5    3
  1.36352102E-8-1.85837064E-12   1.54124192E4   3.46820617E1                   4
I3C6OH2-3J              H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.06200396E1  2.79512317E-2 -9.36970548E-6  1.43455322E-9-8.24077315E-14    2
  -2.65770099E4  -7.78860859E1  1.75734172E-1  8.04434913E-2 -6.23882811E-5    3
   2.6236342E-8-4.55622752E-12  -1.99104528E4   3.02974435E1                   4
I3C6OH1-2O2             H  13O   3C   6     G     300.0    5000.0  1406.0      1
    2.5721752E1  2.84898989E-2  -9.6011653E-6   1.4755451E-9-8.49948368E-14    2
   -4.5059596E4  -1.00256687E2  1.13241155E-1  9.56156796E-2 -7.82861456E-5    3
  3.37538977E-8-5.89558733E-12  -3.69170455E4   3.46489506E1                   4
I3C6OH3-4O2             H  13O   3C   6     G     300.0    5000.0  1390.0      1
   2.57506751E1  2.95026522E-2  -1.0180387E-5  1.58993329E-9-9.26266521E-14    2
  -4.67958933E4  -1.02595328E2   2.22922171E0  8.26992713E-2 -5.62630047E-5    3
  1.98991192E-8-2.92056549E-12  -3.83905415E4   2.44543132E1                   4
I3C6D1-5O               H  11O   1C   6     G     300.0    5000.0  1409.0      1
   2.06182101E1  2.40963519E-2 -8.12961031E-6  1.25058211E-9-7.20923631E-14    2
  -9.89705253E3  -8.02479353E1  6.72333821E-1  7.10035744E-2 -4.97728343E-5    3
  1.78022837E-8-2.55156765E-12  -3.08142909E3   2.66267894E1                   4
I3C6D3-1O               H  11O   1C   6     G     300.0    5000.0  1395.0      1
    1.9536679E1  2.54804255E-2 -8.70821835E-6  1.35129817E-9-7.83733565E-14    2
  -8.28415885E3  -7.39722317E1   1.15478404E0   6.3908736E-2 -3.73930691E-5    3
  1.01079087E-8-9.16994191E-13  -1.47995668E3   2.62979518E1                   4
I3C6-2OOH               H  14O   2C   6     G     300.0    5000.0  1403.0      1
   2.44491095E1  2.97281576E-2 -1.00615214E-5  1.55073951E-9 -8.9504333E-14    2
  -4.33019199E4  -9.87775144E1 -2.91863805E-1  9.29441415E-2 -7.32941165E-5    3
  3.07513661E-8-5.28394313E-12  -3.52363637E4   3.21971937E1                   4
I3C6-4OOH               H  14O   2C   6     G     300.0    5000.0  1396.0      1
   2.41795374E1   3.0464684E-2 -1.04281622E-5  1.61971909E-9-9.39970623E-14    2
  -4.15081021E4  -9.75306723E1 -8.25840304E-1  9.14459665E-2 -6.86305453E-5    3
  2.74250791E-8-4.54481673E-12  -3.30223968E4   3.59497816E1                   4
I3C6-3O                 H  13O   1C   6     G     300.0    5000.0  1381.0      1
   2.19293395E1  2.87976742E-2  -1.0002136E-5  1.56882249E-9-9.16674223E-14    2
  -2.61633674E4  -9.00284701E1   3.31322762E0  6.48736748E-2 -3.44602363E-5    3
  8.10414653E-9-5.78777443E-13  -1.88367096E4   1.27836942E1                   4
I3C6OOH1-4              H  13O   2C   6     G     300.0    5000.0  1397.0      1
   2.36031683E1  2.84228813E-2 -9.72737022E-6  1.51068399E-9-8.76621516E-14    2
  -1.63765571E4  -9.09248725E1 -4.32236344E-1  8.78503366E-2 -6.73356147E-5    3
  2.74470522E-8-4.62159152E-12  -8.30592761E3   3.70819664E1                   4
I3C6OOH2-3              H  13O   2C   6     G     300.0    5000.0  1399.0      1
   2.26746302E1  2.87386448E-2 -9.73083224E-6   1.5001707E-9-8.66004392E-14    2
  -2.01654346E4  -8.60119434E1   3.70469547E0   7.2301888E-2 -4.81516187E-5    3
  1.70383089E-8-2.52040538E-12  -1.34622015E4   1.61996197E1                   4
I3C6OOH3-1              H  13O   2C   6     G     300.0    5000.0  1397.0      1
   2.34777326E1  2.83817273E-2 -9.67951259E-6  1.49962872E-9-8.68708612E-14    2
  -2.03544281E4  -9.26982921E1  8.04721107E-1  8.48723133E-2 -6.51091381E-5    3
  2.68287183E-8-4.58301194E-12  -1.27631447E4   2.79347965E1                   4
I3C6OOH4-2              H  13O   2C   6     G     300.0    5000.0  1400.0      1
    2.2756546E1   2.8867201E-2 -9.82140805E-6  1.51931586E-9 -8.7923886E-14    2
  -1.76595306E4  -8.56750466E1  9.77156861E-1  7.82364698E-2 -5.19978751E-5    3
  1.76653028E-8-2.42451047E-12  -9.96612189E3   3.17916264E1                   4
I3C6O1-4                H  12O   1C   6     G     300.0    5000.0  1413.0      1
   1.91332233E1  2.86197395E-2 -9.66136769E-6  1.48681208E-9-8.57348721E-14    2
   -3.8963127E4  -7.86820088E1  -1.19020863E1  1.10741511E-1 -9.36724329E-5    3
  4.06246599E-8-7.03015821E-12  -2.92690797E4   8.43765829E1                   4
I3C6O2-4                H  12O   1C   6     G     300.0    5000.0  1416.0      1
   2.00254749E1  2.70583523E-2 -9.04012984E-6  1.38132006E-9-7.92500917E-14    2
  -3.07791434E4   -8.2596383E1  -9.84643273E0  1.08812068E-1 -9.54733501E-5    3
  4.28480505E-8-7.62074807E-12   -2.1732079E4   7.33665556E1                   4
I3C6OOH1-3O2            H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.80594544E1   2.9353804E-2 -1.00583209E-5  1.56336696E-9-9.07711669E-14    2
  -3.94463689E4  -1.12368673E2   2.46839894E0  9.34818014E-2 -7.32254455E-5    3
  3.04741768E-8-5.22121009E-12  -3.09348568E4   2.36268635E1                   4
I3C6OOH2-1O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.72689925E4   -1.1262741E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.86711089E4   2.89410866E1                   4
I3C6OOH2-6O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.72689925E4   -1.1262741E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.86711089E4   2.89410866E1                   4
I3C6OOH4-1O2            H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.82555332E1  2.93271863E-2 -1.00814406E-5  1.57044758E-9-9.13273355E-14    2
   -3.5503532E4  -1.11011545E2   1.14452901E0  9.67607404E-2 -7.57170659E-5    3
  3.11715453E-8-5.26427091E-12  -2.64629131E4   3.31956357E1                   4
I3C6KET1-3              H  12O   3C   6     G     300.0    5000.0  1395.0      1
   2.55393215E1  2.66216944E-2 -9.07672516E-6  1.40648832E-9 -8.1501651E-14    2
  -5.61660401E4  -1.03285815E2   2.15129464E0   8.1201618E-2 -5.75192603E-5    3
  2.08692225E-8-3.06969394E-12  -4.80801157E4   2.22721144E1                   4
I3C6KET2-1              H  12O   3C   6     G     300.0    5000.0  1392.0      1
   2.73168011E1  2.44590899E-2  -8.2084216E-6  1.25988955E-9-7.25688807E-14    2
  -5.51595705E4  -1.09344075E2 -6.91142371E-1   9.3863162E-2  -7.4113022E-5    3
  2.97122191E-8-4.77201054E-12  -4.59543541E4   3.94616057E1                   4
I3C6KET2-6              H  12O   3C   6     G     300.0    5000.0  1401.0      1
   2.32384651E1  2.81720686E-2 -9.51929113E-6  1.46573282E-9-8.45459452E-14    2
  -5.52996306E4   -8.6915303E1   2.98204203E0  7.41805228E-2 -4.88804382E-5    3
  1.65379646E-8 -2.2623889E-12   -4.8159373E4    2.2294455E1                   4
I3C6D1-3OOH             H  12O   2C   6     G     300.0    5000.0  1392.0      1
   2.65232846E1  2.31916293E-2 -7.80800799E-6  1.20095522E-9-6.92735493E-14    2
  -3.08643316E4  -1.09133069E2  -1.47893986E0  9.60320023E-2 -8.15255732E-5    3
  3.54487241E-8-6.17544373E-12  -2.19412259E4   3.85271989E1                   4
I3C6D2-1OOH             H  12O   2C   6     G     300.0    5000.0  1388.0      1
    2.3738613E1  2.65627484E-2 -9.17489847E-6  1.43416955E-9-8.36139894E-14    2
  -2.71400423E4  -9.42594144E1  -1.41568941E0  8.62839108E-2 -6.41707688E-5    3
  2.48593998E-8-3.97049195E-12   -1.8464482E4    4.0557128E1                   4
I3C6D3-1OOH             H  12O   2C   6     G     300.0    5000.0  1393.0      1
   2.20967919E1  2.77789169E-2 -9.55012716E-6  1.48774467E-9-8.65193585E-14    2
  -2.72155857E4  -8.52485429E1 -5.19930235E-2  7.90424955E-2 -5.52884427E-5    3
  2.02823972E-8-3.09059299E-12  -1.94293215E4   3.39511167E1                   4
I3C6Q12-5               H  13O   4C   6     G     300.0    5000.0  1405.0      1
      2.80647E1  2.85900605E-2 -9.72175876E-6  1.50329046E-9-8.69702231E-14    2
  -3.07509591E4  -1.08011714E2   1.45445917E0  9.64976772E-2 -7.71486959E-5    3
   3.2259405E-8-5.47606476E-12  -2.21143063E4   3.28107626E1                   4
I3C6Q13-5               H  13O   4C   6     G     300.0    5000.0  1389.0      1
   2.99458735E1   2.7863206E-2 -9.67101384E-6  1.51678072E-9-8.86405107E-14    2
  -3.42698649E4  -1.21901261E2   2.96478201E0  8.44943098E-2 -5.14351045E-5    3
  1.36554588E-8-1.06461412E-12  -2.44027572E4   2.50356643E1                   4
I3C6Q14-5               H  13O   4C   6     G     300.0    5000.0  1389.0      1
   2.99458735E1   2.7863206E-2 -9.67101384E-6  1.51678072E-9-8.86405107E-14    2
  -3.42698649E4  -1.21901261E2   2.96478201E0  8.44943098E-2 -5.14351045E-5    3
  1.36554588E-8-1.06461412E-12  -2.44027572E4   2.50356643E1                   4
I3C6Q15-4               H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.87907341E1  2.79213078E-2 -9.47982659E-6  1.46437657E-9-8.46585027E-14    2
  -2.93295072E4  -1.12326939E2   1.31093011E0  1.00610044E-1 -8.46773261E-5    3
  3.72158759E-8-6.59316092E-12  -2.06469721E4   3.22223978E1                   4
I3C6Q16-4               H  13O   4C   6     G     300.0    5000.0  1398.0      1
   2.86569198E1  2.85943619E-2 -9.83609616E-6  1.53294188E-9-8.91759942E-14    2
  -2.76077832E4  -1.11908598E2  7.09941186E-1  9.93385589E-2 -7.99807927E-5    3
  3.37137761E-8-5.79337241E-12  -1.84230735E4   3.62891762E1                   4
I3C6Q23-6               H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.88425669E1  2.77804841E-2 -9.40909634E-6  1.45096939E-9-8.37801891E-14    2
  -3.33972597E4  -1.15170794E2   2.29340705E0   9.8778657E-2 -8.38285765E-5    3
  3.73109073E-8-6.69286784E-12  -2.50684526E4   2.42384919E1                   4
I3C6Q24-6               H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.87907341E1  2.79213078E-2 -9.47982659E-6  1.46437657E-9-8.46585027E-14    2
  -2.93295072E4  -1.12326939E2   1.31093011E0  1.00610044E-1 -8.46773261E-5    3
  3.72158759E-8-6.59316092E-12  -2.06469721E4   3.22223978E1                   4
I3C6Q34-1               H  13O   4C   6     G     300.0    5000.0  1398.0      1
   2.84478009E1  2.86121327E-2 -9.80560214E-6  1.52426672E-9-8.85092465E-14    2
  -3.15406764E4  -1.12483522E2    2.0422644E0  9.60276422E-2 -7.74862294E-5    3
  3.30264072E-8-5.75337749E-12  -2.28961606E4    2.7376076E1                   4
I3C6O12-5OOH            H  12O   3C   6     G     300.0    5000.0  1425.0      1
   2.73987275E1   2.4496072E-2 -8.13908735E-6  1.23963677E-9-7.09814891E-14    2
  -4.35898552E4  -1.14905597E2  -4.26781301E0  1.09464788E-1 -9.52785173E-5    3
  4.15225841E-8 -7.1114291E-12  -3.39370352E4   5.08507658E1                   4
I3C6O13-5OOH            H  12O   3C   6     G     300.0    5000.0  1424.0      1
   2.64364809E1  2.64057769E-2 -8.94282811E-6  1.37999933E-9-7.97517772E-14    2
  -4.59186615E4  -1.12626871E2  -3.63134192E0  9.86693553E-2 -7.38788568E-5    3
  2.71741271E-8-3.88378661E-12  -3.59279808E4   4.77200095E1                   4
I3C6O14-5OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
    2.4978219E1   2.7838837E-2 -9.38120834E-6  1.44220792E-9-8.31101648E-14    2
  -5.22847637E4  -1.04115269E2  -1.01838276E1  1.23668378E-1 -1.10116531E-4    3
  4.94669856E-8-8.76454943E-12  -4.16163391E4   7.95769106E1                   4
I3C6O15-4OOH            H  12O   3C   6     G     300.0    5000.0  1416.0      1
   2.46024945E1  2.80358375E-2 -9.42249385E-6  1.44589993E-9-8.32145088E-14    2
  -5.21423839E4   -1.0176322E2  -1.04005807E1  1.23775889E-1 -1.10393849E-4    3
  4.97138605E-8-8.82688333E-12  -4.15595338E4   8.09712733E1                   4
I3C6O16-4OOH            H  12O   3C   6     G     300.0    5000.0  1407.0      1
   2.44946455E1  2.93939492E-2 -1.00749391E-5  1.56673375E-9-9.10137753E-14    2
   -5.2663602E4  -1.07342177E2  -8.91049515E0  1.13512494E-1 -9.15105871E-5    3
  3.74462563E-8-6.13159725E-12  -4.18072409E4   6.96768191E1                   4
I3C6O23-6OOH            H  12O   3C   6     G     300.0    5000.0  1421.0      1
    2.6746271E1  2.56215292E-2 -8.64959731E-6  1.33175431E-9-7.68390745E-14    2
  -4.48759727E4  -1.12235905E2   -2.3683234E0  9.74580017E-2 -7.56113605E-5    3
  2.92504118E-8-4.45746156E-12  -3.53685753E4   4.23992527E1                   4
I3C6O24-6OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.52227969E1  2.71196931E-2 -9.11337641E-6  1.39829544E-9-8.04665316E-14    2
  -4.20432522E4  -1.03656361E2  -8.26834089E0  1.19012191E-1  -1.0642731E-4    3
   4.8131694E-8-8.58522316E-12  -3.19350376E4    7.1101769E1                   4
I3C6O34-1OOH            H  12O   3C   6     G     300.0    5000.0  1414.0      1
   2.50158514E1  2.69694918E-2  -9.0827176E-6  1.39565839E-9-8.03982034E-14    2
   -4.2107532E4  -1.01184336E2  -2.19365284E0  9.57573665E-2 -7.57246698E-5    3
  3.06677771E-8 -4.9757011E-12  -3.33184373E4   4.28608483E1                   4
SC4H8CHO-1              H   9O   1C   5     G     300.0    5000.0  1395.0      1
   1.57294793E1  2.10330242E-2  -7.1641328E-6  1.10909618E-9-6.42183068E-14    2
  -1.17660629E4  -5.30038857E1   1.90536582E0  4.93474146E-2 -2.76153915E-5    3
  6.97838849E-9-5.41985302E-13  -6.57727764E3   2.26336284E1                   4
I3C6KET1-3O             H  11O   2C   6     G     300.0    5000.0  1684.0      1
    2.0425166E1  2.84825575E-2 -1.02006108E-5  1.63957872E-9 -9.7606608E-14    2
   -3.5077014E4  -7.62031775E1   4.08883205E0   6.1693643E-2 -3.23611258E-5    3
  6.78045374E-9 -2.5896542E-13  -2.92798862E4   1.27936638E1                   4
I3C6KET2-1O             H  11O   2C   6     G     300.0    5000.0  1681.0      1
   1.83716555E1  2.94776735E-2 -1.03680236E-5  1.64644071E-9-9.71936322E-14    2
  -3.41888278E4   -6.2206009E1   6.53394028E0  5.05671484E-2 -2.04662185E-5    3
  1.51629257E-9 5.96583427E-13  -2.97000376E4   3.35167674E0                   4
I3C6KET2-6O             H  11O   2C   6     G     300.0    5000.0  1418.0      1
   2.05107645E1  2.61094947E-2 -8.77868143E-6  1.34710898E-9-7.75170005E-14    2
  -3.62982472E4   -7.4671325E1   4.50189394E0  5.79939263E-2 -2.99519446E-5    3
  6.01307546E-9-6.10184525E-14  -3.02650042E4   1.31285412E1                   4
I3C6-1                  H  13C   6          G     300.0    5000.0  1396.0      1
   1.85509644E1  2.82447949E-2 -9.61528253E-6  1.48779519E-9-8.61074791E-14    2
  -5.14438216E3  -7.06357046E1  -1.57243778E0  7.63601716E-2 -5.46912375E-5    3
  2.11784879E-8-3.44861598E-12   1.81072558E3   3.71746448E1                   4
I3C6-3                  H  13C   6          G     300.0    5000.0  1386.0      1
   1.74736494E1  2.91998483E-2   -9.955574E-6  1.54219846E-9 -8.9332151E-14    2
  -7.25927094E3  -6.50870461E1   1.34186249E0  5.90260358E-2   -2.757699E-5    3
  4.36267996E-9 2.17894384E-13  -8.25923023E2    2.4412786E1                   4
I3C6D3                  H  12C   6          G     300.0    5000.0  1392.0      1
   1.72611895E1  2.71307676E-2 -9.21555704E-6  1.42407568E-9-8.23524881E-14    2
  -1.60264531E4  -6.67804053E1  -1.24661445E0  6.76124917E-2 -4.23393767E-5    3
  1.34898469E-8 -1.7348014E-12  -9.30085978E3   3.36321323E1                   4
I3C6D1-6                H  11C   6          G     100.0    5000.0 1033.29      1
   1.15057732E1  3.35622251E-2 -1.31054184E-5  2.40849333E-9-1.68494985E-13    2
   1.27455933E4   -2.9942353E1   1.25227887E0  4.95954825E-2 -2.03484102E-6    3
 -2.68935023E-8 1.22823579E-11   1.61276015E4   2.59723556E1                   4
I3C6D3-2                H  11C   6          G     300.0    5000.0  1382.0      1
   1.79450895E1  2.41816489E-2 -8.15643147E-6  1.25534181E-9-7.24184612E-14    2
   5.24649176E2  -6.96176883E1 -5.43272512E-1  6.35261882E-2 -3.84755357E-5    3
   1.1111223E-8-1.16714536E-12   7.29460409E3   3.09831599E1                   4
I3C6OH3-2J              H  13O   1C   6     G     300.0    5000.0  1384.0      1
   2.06965148E1   2.9241775E-2 -1.01134682E-5  1.58164865E-9-9.22239821E-14    2
  -2.83290692E4  -7.93224338E1   3.15050305E0   6.5186688E-2 -3.78234118E-5    3
  1.13306453E-8-1.44651791E-12  -2.15513834E4   1.70013978E1                   4
I3C6OH2-1O2             H  13O   3C   6     G     300.0    5000.0  1404.0      1
   2.55391379E1    2.873582E-2 -9.70616161E-6  1.49404106E-9-8.61572682E-14    2
  -4.50801331E4  -9.92184886E1 -3.98860864E-1  9.66702679E-2 -7.93396119E-5    3
  3.43475227E-8-6.03206739E-12  -3.68080695E4   3.74753019E1                   4
I3C6OH4-3O2             H  13O   3C   6     G     300.0    5000.0  1399.0      1
   2.52683494E1   2.9271575E-2 -9.95693432E-6  1.53992445E-9-8.90975819E-14    2
  -4.72221951E4  -1.00455696E2  9.17623566E-1  9.06796326E-2 -7.07492967E-5    3
  2.94426385E-8-5.04330174E-12  -3.91751148E4   2.87880714E1                   4
I3C6D1-6O               H  11O   1C   6     G     300.0    5000.0  1397.0      1
   2.05688161E1   2.4693412E-2 -8.45680194E-6  1.31416289E-9-7.62970554E-14    2
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  1.45931566E-8-1.84792638E-12  -9.68829533E2   2.86607664E1                   4
I3C6D3-2O               H  11O   1C   6     G     300.0    5000.0  1385.0      1
   2.06755005E1  2.52190604E-2 -8.77405195E-6  1.37780504E-9-8.05729913E-14    2
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  1.39639067E-8-1.88419183E-12  -3.15982586E3    2.4587109E1                   4
I3C6-2O2                H  13O   2C   6     G     300.0    5000.0  1403.0      1
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I3C6-4O2                H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.31943292E1  2.91625406E-2 -9.97515209E-6  1.54857588E-9-8.98361301E-14    2
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I3C6-4O                 H  13O   1C   6     G     300.0    5000.0  1400.0      1
   2.15315658E1   2.8212963E-2 -9.59612045E-6  1.48415109E-9-8.58751376E-14    2
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  1.70867001E-8-2.35556104E-12  -1.51077281E4   2.73653903E1                   4
I3C6OOH1-5              H  13O   2C   6     G     300.0    5000.0  1400.0      1
    2.2756546E1   2.8867201E-2 -9.82140805E-6  1.51931586E-9 -8.7923886E-14    2
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I3C6OOH2-4              H  13O   2C   6     G     300.0    5000.0  1404.0      1
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I3C6OOH3-2              H  13O   2C   6     G     300.0    5000.0  1395.0      1
   2.32436576E1   2.8621132E-2 -9.77087392E-6  1.51478755E-9-8.77893269E-14    2
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  2.14038334E-8-3.44935825E-12  -1.43613155E4   2.05703022E1                   4
I3C6OOH4-3              H  13O   2C   6     G     300.0    5000.0  1390.0      1
    2.2356048E1  2.95342578E-2 -1.01214892E-5  1.57325923E-9-9.13464154E-14    2
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I3C6O1-5                H  12O   1C   6     G     300.0    5000.0  1439.0      1
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  3.82117388E-8-6.55120264E-12  -3.18072863E4   7.04463919E1                   4
I3C6O2-5                H  12O   1C   6     G     300.0    5000.0  1421.0      1
   2.03962602E1  2.62953224E-2 -8.68154742E-6  1.31569789E-9-7.50471972E-14    2
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I3C6OOH1-4O2            H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.82555332E1  2.93271863E-2 -1.00814406E-5  1.57044758E-9-9.13273355E-14    2
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  3.11715453E-8-5.26427091E-12  -2.64629131E4   3.31956357E1                   4
I3C6OOH2-3O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84533536E1  2.84966642E-2 -9.64742519E-6   1.4872567E-9 -8.5855889E-14    2
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  3.49248904E-8-6.19589877E-12  -3.31008329E4   2.06727854E1                   4
I3C6OOH3-1O2            H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.80594544E1   2.9353804E-2 -1.00583209E-5  1.56336696E-9-9.07711669E-14    2
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  3.04741768E-8-5.22121009E-12  -3.09348568E4   2.36268635E1                   4
I3C6OOH4-2O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
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  3.49231295E-8-6.10856806E-12  -2.86711089E4   2.89410866E1                   4
I3C6KET1-4              H  12O   3C   6     G     300.0    5000.0  1395.0      1
   2.56142213E1  2.67327809E-2 -9.15387974E-6  1.42259367E-9-8.26043938E-14    2
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  2.10753439E-8-3.02178203E-12  -4.36403804E4   3.08903064E1                   4
I3C6KET2-3              H  12O   3C   6     G     300.0    5000.0  1390.0      1
   2.75610713E1  2.47537679E-2 -8.41219217E-6  1.30166581E-9-7.53848421E-14    2
   -5.8533551E4  -1.12861123E2   1.0899742E-1   9.1285613E-2 -7.01013113E-5    3
  2.73094444E-8-4.27700575E-12  -4.93352491E4   3.35655105E1                   4
I3C6KET4-1              H  12O   3C   6     G     300.0    5000.0  1396.0      1
   2.47370726E1  2.75418831E-2 -9.44410834E-6  1.46881534E-9-8.53254255E-14    2
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  1.70144281E-8-2.23416815E-12  -4.43166188E4    2.5767623E1                   4
I3C6D1-4OOH             H  12O   2C   6     G     300.0    5000.0  1395.0      1
   2.28453956E1  2.71744281E-2 -9.34864157E-6  1.45703499E-9-8.47614779E-14    2
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  2.32359835E-8-3.68955967E-12  -1.89333947E4    3.5350885E1                   4
I3C6D2-4OOH             H  12O   2C   6     G     300.0    5000.0  1388.0      1
    2.3738613E1  2.65627484E-2 -9.17489847E-6  1.43416955E-9-8.36139894E-14    2
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  2.48593998E-8-3.97049195E-12   -1.8464482E4    4.0557128E1                   4
I3C6D3-2OOH             H  12O   2C   6     G     300.0    5000.0  1394.0      1
   2.53378148E1  2.47067817E-2 -8.43088547E-6  1.30770963E-9-7.58477715E-14    2
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  3.31058962E-8-5.59043136E-12   -1.9440171E4   4.48568472E1                   4
I3C6Q12-6               H  13O   4C   6     G     300.0    5000.0  1404.0      1
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  3.72158759E-8-6.59316092E-12  -2.06469721E4   3.22223978E1                   4
I3C6Q13-6               H  13O   4C   6     G     300.0    5000.0  1398.0      1
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  3.30264072E-8-5.75337749E-12  -2.28961606E4    2.7376076E1                   4
I3C6Q14-6               H  13O   4C   6     G     300.0    5000.0  1398.0      1
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  3.30264072E-8-5.75337749E-12  -2.28961606E4    2.7376076E1                   4
I3C6Q15-6               H  13O   4C   6     G     300.0    5000.0  1402.0      1
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  3.25438992E-8 -5.4212144E-12  -2.07394879E4   3.05317241E1                   4
I3C6Q23-1               H  13O   4C   6     G     300.0    5000.0  1404.0      1
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I3C6Q24-1               H  13O   4C   6     G     300.0    5000.0  1402.0      1
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I3C6Q25-1               H  13O   4C   6     G     300.0    5000.0  1411.0      1
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I3C6Q34-2               H  13O   4C   6     G     300.0    5000.0  1395.0      1
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I3C6O12-6OOH            H  12O   3C   6     G     300.0    5000.0  1417.0      1
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I3C6O13-6OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
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I3C6O14-6OOH            H  12O   3C   6     G     300.0    5000.0  1411.0      1
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   4.6761617E-8-8.18163083E-12  -3.94283879E4   8.33194313E1                   4
I3C6O15-6OOH            H  12O   3C   6     G     300.0    5000.0  1416.0      1
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I3C6O23-1OOH            H  12O   3C   6     G     300.0    5000.0  1421.0      1
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I3C6O24-1OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
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I3C6O25-1OOH            H  12O   3C   6     G     300.0    5000.0  1419.0      1
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I3C6O34-2OOH            H  12O   3C   6     G     300.0    5000.0  1437.0      1
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C5H9O15-3               H   9O   1C   5     G     300.0    5000.0  1654.0      1
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SC4H8CHO-2              H   9O   1C   5     G     300.0    5000.0  1387.0      1
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  4.77576329E-9-1.79866775E-13  -1.26864535E4   9.75123178E0                   4
I3C6KET1-4O             H  11O   2C   6     G     300.0    5000.0  1400.0      1
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  1.09967095E-8  -9.178141E-13  -2.57235923E4   2.23734605E1                   4
I3C6KET2-3O             H  11O   2C   6     G     300.0    5000.0  1379.0      1
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  2.29570121E-9 9.23350747E-13  -3.16433715E4   1.29325565E1                   4
I3C6KET4-1O             H  11O   2C   6     G     300.0    5000.0  1678.0      1
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I3C6-4                  H  13C   6          G     300.0    5000.0  1396.0      1
   1.85509644E1  2.82447949E-2 -9.61528253E-6  1.48779519E-9-8.61074791E-14    2
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  2.11784879E-8-3.44861598E-12   1.81072558E3   3.64851631E1                   4
I3C6D2-5                H  11C   6          G     300.0    5000.0  1392.0      1
   1.61713523E1  2.63137943E-2 -9.01583566E-6  1.40128473E-9-8.13595787E-14    2
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  1.03013171E-8 -1.0554043E-12    6.8889932E3   3.38865431E1                   4
I3C6OH1-2J              H  13O   1C   6     G     300.0    5000.0  1398.0      1
   2.04225562E1  2.85992638E-2 -9.69805673E-6  1.49661364E-9-8.64553186E-14    2
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  2.15272968E-8-3.52029893E-12  -1.78395109E4   3.15495047E1                   4
I3C6OH3-4J              H  13O   1C   6     G     300.0    5000.0  1384.0      1
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I3C6OH2-3O2             H  13O   3C   6     G     300.0    5000.0  1404.0      1
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I3C6D2-5O               H  11O   1C   6     G     300.0    5000.0  1387.0      1
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I3C6-1OOH               H  14O   2C   6     G     300.0    5000.0  1396.0      1
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I3C6-3OOH               H  14O   2C   6     G     300.0    5000.0  1397.0      1
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I3C6-1O                 H  13O   1C   6     G     300.0    5000.0  1400.0      1
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I3C6OOH1-2              H  13O   2C   6     G     300.0    5000.0  1395.0      1
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I3C6OOH1-6              H  13O   2C   6     G     300.0    5000.0  1397.0      1
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I3C6OOH2-5              H  13O   2C   6     G     300.0    5000.0  1409.0      1
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I3C6OOH3-4              H  13O   2C   6     G     300.0    5000.0  1397.0      1
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I3C6O1-2                H  12O   1C   6     G     300.0    5000.0  1415.0      1
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I3C6O1-6                H  12O   1C   6     G     300.0    5000.0  1413.0      1
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I3C6O3-4                H  12O   1C   6     G     300.0    5000.0  1417.0      1
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I3C6OOH1-5O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
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I3C6OOH2-4O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
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I3C6OOH3-2O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
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I3C6OOH4-3O2            H  13O   4C   6     G     300.0    5000.0  1397.0      1
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I3C6KET1-5              H  12O   3C   6     G     300.0    5000.0  1405.0      1
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I3C6D1-5OOH             H  12O   2C   6     G     300.0    5000.0  1403.0      1
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I3C6D2-5OOH             H  12O   2C   6     G     300.0    5000.0  1394.0      1
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I3C6Q12-3               H  13O   4C   6     G     300.0    5000.0  1399.0      1
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I3C6O12-3OOH            H  12O   3C   6     G     300.0    5000.0  1418.0      1
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I3C6O13-2OOH            H  12O   3C   6     G     300.0    5000.0  1424.0      1
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I3C6O14-2OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
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I3C6O15-2OOH            H  12O   3C   6     G     300.0    5000.0  1419.0      1
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I3C6O24-3OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
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I3C6O25-3OOH            H  12O   3C   6     G     300.0    5000.0  1420.0      1
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I3C6KET1-5O             H  11O   2C   6     G     300.0    5000.0  1414.0      1
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I3C6D1-4                H  11C   6          G     300.0    5000.0  1395.0      1
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I3C6D2-6                H  11C   6          G     300.0    5000.0  1391.0      1
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   8.31048969E3  -5.79341281E1  -1.03967458E0    6.218349E-2 -3.72281711E-5    3
  1.09893994E-8-1.25493763E-12   1.46631626E4    3.5622112E1                   4
I3C6OH2-1J              H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.15207796E1  2.73812036E-2 -9.21458154E-6  1.41453625E-9-8.14081438E-14    2
  -2.56457489E4  -8.25141745E1  7.12121292E-2  8.41181905E-2 -6.84641432E-5    3
  3.00370094E-8-5.39050546E-12  -1.88033028E4   3.04229984E1                   4
I3C6OH4-3J              H  13O   1C   6     G     300.0    5000.0  1398.0      1
   2.04225562E1  2.85992638E-2 -9.69805673E-6  1.49661364E-9-8.64553186E-14    2
  -2.47203654E4  -7.63627445E1  3.81611879E-1  7.68847541E-2 -5.52744108E-5    3
  2.15272968E-8-3.52029893E-12  -1.78395109E4    3.0860023E1                   4
I3C6OH3-2O2             H  13O   3C   6     G     300.0    5000.0  1396.0      1
   2.61755584E1  2.85328264E-2 -9.71230576E-6  1.50305156E-9-8.70114594E-14    2
  -4.86437177E4  -1.04710323E2   2.32752743E0  8.61661554E-2 -6.37566314E-5    3
   2.4878854E-8-4.00510558E-12  -4.05402173E4   2.27088927E1                   4
I3C6D1-4O               H  11O   1C   6     G     300.0    5000.0  1397.0      1
   2.05688161E1   2.4693412E-2 -8.45680194E-6  1.31416289E-9-7.62970554E-14    2
  -8.11513775E3  -7.96159147E1  5.49089621E-1  6.91387773E-2 -4.51069226E-5    3
  1.45931566E-8-1.84792638E-12  -9.68829533E2   2.86607664E1                   4
I3C6D2-6O               H  11O   1C   6     G     300.0    5000.0  1395.0      1
   1.90457382E1  2.58410744E-2 -8.82094298E-6  1.36773843E-9-7.92857888E-14    2
  -9.05091091E3  -7.19587034E1   1.04735431E0  6.18797498E-2 -3.34063373E-5    3
  7.40444213E-9-2.95684094E-13  -2.24851153E3   2.67514864E1                   4
I3C6-1O2                H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.31943292E1  2.91625406E-2 -9.97515209E-6  1.54857588E-9-8.98361301E-14    2
   -2.4269086E4  -9.06789698E1  2.31211875E-2  8.51695617E-2 -6.29170121E-5    3
  2.48086173E-8-4.07114345E-12  -1.63485719E4   3.32001946E1                   4
I3C6-3O2                H  13O   2C   6     G     300.0    5000.0  1396.0      1
   2.30739723E1  2.91182535E-2 -9.92648328E-6  1.53742272E-9-8.90403235E-14    2
  -2.82493409E4  -9.31722064E1   1.23962618E0  8.22883094E-2 -6.08316925E-5    3
  2.42761793E-8-4.05130561E-12  -2.08029061E4   2.34567728E1                   4
I3C6-2O                 H  13O   1C   6     G     300.0    5000.0  1403.0      1
   2.16430883E1   2.7950414E-2 -9.46755773E-6  1.46005628E-9-8.43070039E-14    2
  -2.44264051E4  -8.62437022E1  2.97939912E-1  7.92810367E-2 -5.71641907E-5    3
  2.18107525E-8-3.43610978E-12  -1.71601339E4   2.78702073E1                   4
I3C6OOH1-3              H  13O   2C   6     G     300.0    5000.0  1389.0      1
   2.25579274E1   2.9370503E-2 -1.00693056E-5  1.56576873E-9-9.09432886E-14    2
  -1.85093449E4  -8.48808344E1    2.4187702E0  7.07951656E-2 -4.05586206E-5    3
  1.08098334E-8-9.90529877E-13  -1.09334609E4   2.53055528E1                   4
I3C6OOH2-1              H  13O   2C   6     G     300.0    5000.0  1403.0      1
   2.40496016E1  2.75870588E-2 -9.33769446E-6   1.4392733E-9-8.30748676E-14    2
  -1.82402613E4  -9.37131066E1   5.7512107E-1  8.81323928E-2 -7.05270346E-5    3
  2.99799069E-8-5.20494563E-12  -1.06436559E4   3.03573384E1                   4
I3C6OOH2-6              H  13O   2C   6     G     300.0    5000.0  1404.0      1
   2.38826112E1  2.76802325E-2 -9.35921931E-6  1.44153917E-9-8.31628916E-14    2
  -1.81753676E4  -9.29200734E1  8.47974954E-2  8.94437399E-2 -7.21494341E-5    3
  3.08718924E-8-5.38370837E-12  -1.05179322E4   3.27138898E1                   4
I3C6OOH4-1              H  13O   2C   6     G     300.0    5000.0  1397.0      1
   2.36031683E1  2.84228813E-2 -9.72737022E-6  1.51068399E-9-8.76621516E-14    2
  -1.63765571E4  -9.09248725E1 -4.32236344E-1  8.78503366E-2 -6.73356147E-5    3
  2.74470522E-8-4.62159152E-12  -8.30592761E3   3.70819664E1                   4
I3C6O1-3                H  12O   1C   6     G     300.0    5000.0  1419.0      1
   1.92340791E1  2.78206067E-2 -9.32344795E-6   1.4277012E-9-8.20390808E-14    2
  -3.17366553E4  -7.86438979E1  -4.88329121E0  8.62637279E-2 -6.29774186E-5    3
  2.35348837E-8-3.52106173E-12  -2.37035846E4   4.99105272E1                   4
I3C6O2-3                H  12O   1C   6     G     300.0    5000.0  1412.0      1
   2.11037266E1  2.62653465E-2 -8.88659835E-6  1.36977373E-9-7.90779249E-14    2
  -3.34696255E4   -8.8713806E1  -3.93908827E0  8.75947269E-2 -6.61476948E-5    3
  2.55302342E-8-3.95474691E-12   -2.5172478E4    4.4580233E1                   4
I3C6OOH1-2O2            H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.84715662E1  2.86205492E-2 -9.72153466E-6   1.5021371E-9-8.68578026E-14    2
  -3.72689925E4   -1.1262741E2   1.63512749E0  9.85137303E-2 -8.09414289E-5    3
  3.49231295E-8-6.10856806E-12  -2.86711089E4   2.89410866E1                   4
I3C6OOH1-6O2            H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.82555332E1  2.93271863E-2 -1.00814406E-5  1.57044758E-9-9.13273355E-14    2
   -3.5503532E4  -1.11011545E2   1.14452901E0  9.67607404E-2 -7.57170659E-5    3
  3.11715453E-8-5.26427091E-12  -2.64629131E4   3.31956357E1                   4
I3C6OOH2-5O2            H  13O   4C   6     G     300.0    5000.0  1409.0      1
   2.88812043E1  2.77072264E-2 -9.28325083E-6  1.42102882E-9-8.16256265E-14    2
  -3.91256631E4  -1.15375721E2   1.93609553E0  1.01003381E-1 -8.69352539E-5    3
  3.89918425E-8-6.99903691E-12  -3.08493153E4   2.55838623E1                   4
I3C6OOH3-4O2            H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.80594544E1   2.9353804E-2 -1.00583209E-5  1.56336696E-9-9.07711669E-14    2
  -3.94463689E4  -1.13058154E2   2.46839894E0  9.34818014E-2 -7.32254455E-5    3
  3.04741768E-8-5.22121009E-12  -3.09348568E4   2.29373818E1                   4
I3C6KET1-2              H  12O   3C   6     G     300.0    5000.0  1392.0      1
   2.89339138E1  2.40718456E-2 -8.27985925E-6  1.29141413E-9-7.51996169E-14    2
  -5.37770155E4  -1.19764081E2  -2.87164304E0  1.06460741E-1 -9.13798667E-5    3
  3.98102028E-8-6.93458835E-12  -4.35966739E4   4.80920888E1                   4
I3C6KET1-6              H  12O   3C   6     G     300.0    5000.0  1395.0      1
   2.56142213E1  2.67327809E-2 -9.15387974E-6  1.42259367E-9-8.26043938E-14    2
  -5.21667914E4  -1.01217573E2   1.02941803E0  8.36775498E-2 -5.90371169E-5    3
  2.10753439E-8-3.02178203E-12  -4.36403804E4   3.08903064E1                   4
I3C6KET2-5              H  12O   3C   6     G     300.0    5000.0  1411.0      1
   2.30823109E1  2.77462028E-2 -9.24960609E-6  1.41090179E-9-8.08394398E-14    2
   -5.6920253E4  -8.63689993E1   3.98715533E0  7.33806979E-2 -5.09360684E-5    3
  1.86894081E-8-2.81537364E-12  -5.04324775E4   1.57472836E1                   4
I3C6KET4-3              H  12O   3C   6     G     300.0    5000.0  1389.0      1
   2.87492714E1  2.46051566E-2 -8.54323127E-6  1.34050272E-9-7.83719123E-14    2
  -5.54395562E4  -1.20748689E2 -6.17374761E-1  9.50010289E-2  -7.3104885E-5    3
  2.82918429E-8 -4.3977254E-12  -4.54997316E4    3.6203024E1                   4
I3C6D1-6OOH             H  12O   2C   6     G     300.0    5000.0  1395.0      1
   2.28453956E1  2.71744281E-2 -9.34864157E-6  1.45703499E-9-8.47614779E-14    2
  -2.69388112E4  -8.92615203E1 -4.16353559E-1  8.25551514E-2 -6.04613341E-5    3
  2.32359835E-8-3.68955967E-12  -1.89333947E4    3.5350885E1                   4
I3C6D2-6OOH             H  12O   2C   6     G     300.0    5000.0  1393.0      1
   2.17428479E1  2.79612717E-2 -9.58835303E-6  1.49125928E-9-8.66284862E-14    2
  -2.80408724E4   -8.4028988E1 -2.86230032E-1  7.73207841E-2 -5.13168187E-5    3
  1.73559491E-8-2.38113998E-12  -2.01731937E4   3.50380013E1                   4
I3C6Q12-4               H  13O   4C   6     G     300.0    5000.0  1404.0      1
   2.87907341E1  2.79213078E-2 -9.47982659E-6  1.46437657E-9-8.46585027E-14    2
  -2.93295072E4  -1.12326939E2   1.31093011E0  1.00610044E-1 -8.46773261E-5    3
  3.72158759E-8-6.59316092E-12  -2.06469721E4   3.22223978E1                   4
I3C6Q13-4               H  13O   4C   6     G     300.0    5000.0  1397.0      1
   2.93810349E1  2.80377187E-2 -9.65752632E-6  1.50651041E-9-8.76966356E-14    2
  -3.20131947E4  -1.17926169E2   2.42491395E0  9.46094298E-2   -7.371453E-5    3
   2.9979214E-8-4.98635942E-12  -2.30000391E4   2.55872185E1                   4
I3C6Q14-3               H  13O   4C   6     G     300.0    5000.0  1390.0      1
   2.68951862E1  3.01295134E-2 -1.03729257E-5  1.61738916E-9-9.41160859E-14    2
  -3.35783915E4  -1.03995199E2   5.12741373E0  7.84075864E-2 -5.12557127E-5    3
  1.74739354E-8-2.48730327E-12   -2.5676259E4   1.39663181E1                   4
I3C6Q15-3               H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.82636521E1  2.85712336E-2 -9.74939834E-6  1.51123173E-9-8.75816221E-14    2
  -3.16788227E4  -1.09549477E2   4.68828632E0  8.41334402E-2 -5.99657113E-5    3
  2.22314084E-8-3.37866661E-12  -2.35526937E4   1.68694368E1                   4
I3C6Q16-3               H  13O   4C   6     G     300.0    5000.0  1384.0      1
   2.87585645E1  2.90126726E-2 -1.00969976E-5  1.58620584E-9-9.27972066E-14    2
  -3.04753042E4  -1.13382523E2   3.46789824E0  8.03901274E-2 -4.62549757E-5    3
  1.12509849E-8-6.86369629E-13  -2.09892914E4   2.50652629E1                   4
I3C6Q23-5               H  13O   4C   6     G     300.0    5000.0  1403.0      1
   2.86844331E1  2.79664258E-2 -9.48461582E-6  1.46393909E-9-8.45830782E-14    2
  -3.46916541E4  -1.14362724E2   3.81337166E0    9.223653E-2 -7.45265127E-5    3
  3.18261613E-8-5.53572962E-12  -2.66615758E4   1.70357869E1                   4
I3C6Q24-5               H  13O   4C   6     G     300.0    5000.0  1405.0      1
      2.80647E1  2.85900605E-2 -9.72175876E-6  1.50329046E-9-8.69702231E-14    2
  -3.07509591E4  -1.08011714E2   1.45445917E0  9.64976772E-2 -7.71486959E-5    3
   3.2259405E-8-5.47606476E-12  -2.21143063E4   3.28107626E1                   4
I3C6Q25-4               H  13O   4C   6     G     300.0    5000.0  1411.0      1
    2.9071989E1   2.7060458E-2 -9.04742886E-6  1.38293716E-9-7.93571313E-14    2
   -3.1121546E4  -1.14987685E2   1.76055322E0  1.02370911E-1 -8.98098158E-5    3
  4.08427222E-8-7.39807308E-12  -2.28438849E4   2.75114531E1                   4
I3C6O12-4OOH            H  12O   3C   6     G     300.0    5000.0  1417.0      1
   2.64688649E1  2.57067227E-2 -8.64365205E-6  1.32698519E-9-7.64009301E-14    2
  -4.14265385E4  -1.08944908E2  -4.74461755E0  1.08241134E-1 -9.24238746E-5    3
  3.98384199E-8-6.79543614E-12  -3.17393793E4   5.49570062E1                   4
I3C6O13-4OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.42841128E1  2.80135287E-2 -9.44301925E-6  1.45196658E-9-8.36812016E-14    2
  -4.29757643E4  -9.89378368E1  -4.04771034E0  9.90114227E-2 -7.74281881E-5    3
  3.09000651E-8-4.93273017E-12  -3.37714035E4   5.12546258E1                   4
I3C6O14-3OOH            H  12O   3C   6     G     300.0    5000.0  1412.0      1
   2.41822086E1  2.86249817E-2 -9.67432587E-6  1.49005877E-9-8.59754298E-14    2
  -5.41769064E4  -1.01342568E2  -8.99664048E0  1.17786167E-1 -1.02382608E-4    3
  4.53624174E-8 -7.9822885E-12  -4.39486041E4   7.24960981E1                   4
I3C6O15-3OOH            H  12O   3C   6     G     300.0    5000.0  1416.0      1
   2.45114432E1  2.79287725E-2 -9.34445844E-6  1.42941038E-9-8.20790653E-14    2
  -5.61119202E4  -1.03684285E2  -8.87578513E0  1.19845702E-1 -1.06966997E-4    3
  4.84146437E-8-8.64551627E-12  -4.60695762E4   7.04153534E1                   4
I3C6O16-3OOH            H  12O   3C   6     G     300.0    5000.0  1409.0      1
   2.42061962E1  2.92983611E-2 -9.96588277E-6  1.54172526E-9-8.92324694E-14    2
  -5.64951132E4   -1.0798824E2  -7.73663024E0  1.11327538E-1 -9.12290159E-5    3
  3.82321754E-8-6.41677779E-12  -4.62663354E4   6.07273504E1                   4
I3C6O23-5OOH            H  12O   3C   6     G     300.0    5000.0  1418.0      1
   2.70554032E1   2.5329362E-2 -8.54066379E-6  1.31377575E-9-7.57488585E-14    2
  -4.67962253E4  -1.14648911E2  -5.8348341E-1  9.38782319E-2 -7.30218779E-5    3
  2.85557675E-8-4.42448842E-12   -3.7786287E4     3.205588E1                   4
I3C6O24-5OOH            H  12O   3C   6     G     300.0    5000.0  1425.0      1
    2.6488248E1  2.56655381E-2 -8.53590969E-6  1.30087301E-9-7.45180217E-14    2
  -4.43754365E4  -1.11608472E2  -6.46697897E0  1.14174849E-1 -9.94352591E-5    3
  4.33950643E-8-7.44543192E-12  -3.43332115E4   6.08720162E1                   4
I3C6O25-4OOH            H  12O   3C   6     G     300.0    5000.0  1419.0      1
   2.56130143E1  2.63655801E-2   -8.763196E-6  1.33451714E-9-7.63918699E-14    2
  -4.40083875E4  -1.07048033E2  -8.14640376E0  1.21056088E-1  -1.1090682E-4    3
  5.10842883E-8-9.22221695E-12  -3.40563793E4   6.83262086E1                   4
SC4H9CO                 H   9O   1C   5     G     300.0    5000.0  1394.0      1
   1.59103481E1   2.0895466E-2 -7.12058057E-6  1.10273127E-9-6.38660845E-14    2
  -1.79403219E4  -5.51235141E1   2.26391239E0  4.82108365E-2 -2.59177903E-5    3
  5.89459018E-9-2.98061487E-13  -1.27613784E4   1.97560888E1                   4
I3C6KET1-2O             H  11O   2C   6     G     300.0    5000.0  1388.0      1
   2.41006345E1  2.44830542E-2 -8.53361302E-6  1.34187134E-9-7.85515717E-14    2
  -3.51109265E4  -9.63038996E1   1.40885455E0  7.45189502E-2 -4.96951711E-5    3
  1.63529614E-8-2.12582816E-12  -2.69429632E4   2.66046835E1                   4
I3C6KET1-6O             H  11O   2C   6     G     300.0    5000.0  1400.0      1
   2.28856959E1  2.47009771E-2 -8.43009216E-6  1.30720828E-9-7.57877678E-14    2
  -3.31740997E4  -8.89936744E1   2.41192107E0  6.80371734E-2 -4.08536724E-5    3
  1.09967095E-8  -9.178141E-13  -2.57235923E4   2.23734605E1                   4
I3C6KET2-5O             H  11O   2C   6     G     300.0    5000.0  1402.0      1
   2.05507123E1  2.62381301E-2 -8.86019661E-6  1.36379521E-9-7.86518816E-14    2
  -3.85101765E4  -7.62280069E1   3.32601505E0  6.11076162E-2 -3.30111868E-5    3
  7.46076408E-9-3.35635003E-13   -3.2056696E4   1.80724217E1                   4
I3C6KET4-3O             H  11O   2C   6     G     300.0    5000.0  1479.0      1
   2.50319097E1  2.41409414E-2  -8.5214618E-6  1.35152255E-9 -7.9597297E-14    2
   -3.6620785E4  -1.04624306E2   3.70417518E0  5.81789275E-2 -1.86414586E-5    3
  -5.1804796E-9 2.89957058E-12  -2.77945113E4   1.52560975E1                   4
NEC6                    H  14C   6          G     300.0    5000.0  1511.0      1
   2.36259424E1  2.86932119E-2 -1.02790569E-5  1.64601439E-9-9.75796967E-14    2
  -3.48716535E4    -1.098043E2   2.06534814E0  5.15416843E-2  2.89414291E-6    3
 -2.06539051E-8 6.40406437E-12  -2.47062024E4   1.56392706E1                   4
NEC6D3                  H  12C   6          G     300.0    5000.0  1398.0      1
    1.9576796E1  2.46980317E-2 -8.28466914E-6  1.27009253E-9-7.30622014E-14    2
  -1.59276684E4  -8.29409316E1  -2.46632719E0  7.64683552E-2 -5.41259324E-5    3
  1.94329228E-8-2.78663493E-12  -8.39746978E3   3.51836337E1                   4
NEC6OH3-4O2             H  13O   3C   6     G     300.0    5000.0  1375.0      1
   2.86007311E1  2.75718141E-2 -9.63262472E-6  1.51753807E-9  -8.896646E-14    2
   -4.8575821E4  -1.23079974E2  9.95354866E-1  8.40584882E-2 -4.96279044E-5    3
  1.22505998E-8-7.46253328E-13  -3.83037545E4   2.78278781E1                   4
NEC6-3OOH               H  14O   2C   6     G     300.0    5000.0  1370.0      1
   2.76627127E1  2.82384058E-2 -9.83518644E-6  1.54641319E-9-9.05400828E-14    2
  -4.68388797E4  -1.23447417E2  9.76626256E-1  8.07913089E-2 -4.41305014E-5    3
  8.85117237E-9-1.26393224E-14   -3.6710502E4   2.31519206E1                   4
NEC6-1O                 H  13O   1C   6     G     300.0    5000.0  1431.0      1
   2.66057708E1  2.62411009E-2 -9.45327279E-6  1.51941909E-9-9.03084735E-14    2
  -2.73833422E4  -1.20545426E2   7.62037373E0  3.34748687E-2  3.11814848E-5    3
 -3.95207252E-8 1.08044156E-11   -1.7364467E4  -5.88574998E0                   4
NEC6OOH1-3              H  13O   2C   6     G     300.0    5000.0  1556.0      1
    2.5710632E1  2.78574688E-2 -9.81452487E-6  1.55457603E-9-9.14716961E-14    2
  -2.11150881E4  -1.07832085E2   2.59737189E0  6.46870561E-2 -2.10889246E-5    3
  -5.0453802E-9 2.97361113E-12  -1.14969314E4   2.21852235E1                   4
NEC6OOH4-1              H  13O   2C   6     G     300.0    5000.0  2037.0      1
   2.27169528E1  3.23505273E-2 -1.19199899E-5    1.951375E-9-1.17619074E-13    2
  -1.76268482E4  -9.03539771E1  3.98625838E-1  7.85121642E-2   -4.401467E-5    3
  1.02940169E-8-6.43476589E-13  -9.73184104E3   3.10083642E1                   4
NEC6O1-4                H  12O   1C   6     G     300.0    5000.0  1462.0      1
   2.18222885E1  2.66095008E-2 -9.05522648E-6   1.4033403E-9-8.13883323E-14    2
  -4.19714556E4  -9.84091972E1  -7.98672168E0  8.88238026E-2 -5.31459649E-5    3
  1.25984653E-8-4.95282608E-13  -3.11872459E4   6.38005651E1                   4
NEC6OOH1-4O2            H  13O   4C   6     G     300.0    5000.0  1367.0      1
    3.1334446E1   2.8104172E-2 -9.97966212E-6  1.58886108E-9-9.38176746E-14    2
  -3.90083908E4  -1.33873373E2   2.64968627E0  8.36087927E-2 -4.52352802E-5    3
  8.61422187E-9  1.1969321E-13  -2.79736067E4   2.41389076E1                   4
NEC6OOH4-3O2            H  13O   4C   6     G     300.0    5000.0  1373.0      1
   3.17235846E1    2.715184E-2 -9.51365945E-6  1.50180732E-9-8.81698049E-14    2
  -4.08314021E4  -1.37548929E2   2.81480429E0  8.67636999E-2 -5.22569741E-5    3
  1.32810504E-8-8.90037778E-13  -3.01329226E4   2.03008612E1                   4
NEC6KET3-1              H  12O   3C   6     G     300.0    5000.0  1401.0      1
   2.30130473E1   2.8379005E-2 -9.59383989E-6  1.47767912E-9-8.52534592E-14    2
   -5.7153794E4  -8.80992224E1   2.34634186E0   7.5958428E-2 -5.11793661E-5    3
  1.79004553E-8 -2.5585322E-12  -4.99234031E4   2.31116886E1                   4
NEC6D3-1OOH             H  12O   2C   6     G     300.0    5000.0  1400.0      1
   2.40411048E1   2.5966674E-2 -8.89194619E-6  1.38176704E-9-8.02238547E-14    2
  -2.69805881E4    -9.894237E1  -1.10740054E0   8.7306038E-2 -6.65183481E-5    3
  2.61374988E-8-4.16928407E-12  -1.85533237E4   3.51217796E1                   4
NEC6Q13-1A              H  13O   4C   6     G     300.0    5000.0  1376.0      1
   3.20815242E1  2.64900921E-2 -9.29970333E-6  1.46986315E-9-8.63674279E-14    2
  -3.29199912E4  -1.35722788E2   2.41390107E0  8.92191962E-2 -5.63980404E-5    3
  1.57884892E-8-1.41888469E-12  -2.20987043E4   2.57149331E1                   4
NEC6Q34-1               H  13O   4C   6     G     300.0    5000.0  1376.0      1
   3.20815242E1  2.64900921E-2 -9.29970333E-6  1.46986315E-9-8.63674279E-14    2
  -3.29199912E4   -1.3641227E2   2.41390107E0  8.92191962E-2 -5.63980404E-5    3
  1.57884892E-8-1.41888469E-12  -2.20987043E4   2.50254515E1                   4
NEC6KET3-1O             H  11O   2C   6     G     300.0    5000.0  1411.0      1
   2.04532318E1  2.60140124E-2 -8.71665565E-6   1.3346167E-9-7.66826241E-14    2
  -3.82111793E4  -7.67856901E1   3.51283108E0  6.12042258E-2 -3.41812659E-5    3
  8.41413471E-9-5.56677376E-13  -3.19722481E4   1.56090431E1                   4
NEC6O11A-1BOOH          H  12O   3C   6     G     300.0    5000.0  1412.0      1
   2.67175017E1  2.70721666E-2 -9.37300164E-6  1.46802923E-9-8.57235351E-14    2
  -4.28167231E4  -1.15570823E2  -4.83855276E0  9.58882441E-2 -6.26015772E-5    3
   1.8072236E-8-1.65344473E-12  -3.16519503E4   5.51682446E1                   4
NEC6O13-4OOH            H  12O   3C   6     G     300.0    5000.0  1434.0      1
    2.6911176E1  2.64563597E-2 -9.06285801E-6  1.40959847E-9-8.19205901E-14    2
  -4.42721447E4  -1.17770738E2  -4.84180844E0  9.86763959E-2 -6.86883633E-5    3
  2.22183262E-8-2.57930035E-12  -3.33544505E4   5.29455476E1                   4
TC4H9CHO                H  10O   1C   5     G     300.0    5000.0  1394.0      1
   1.60608148E1  2.33025153E-2 -7.94739312E-6   1.2313816E-9-7.13390449E-14    2
  -3.87418923E4  -6.10842527E1  9.50855658E-1  5.43967026E-2 -3.07475965E-5    3
  8.04280273E-9 -7.0177171E-13  -3.30692262E4   2.15633585E1                   4
NEC6-1                  H  13C   6          G     300.0    5000.0  1466.0      1
    2.2847119E1  2.67549166E-2 -9.59858665E-6  1.53853098E-9-9.12690127E-14    2
  -9.63186073E3  -1.01542403E2   4.41968769E0  3.90549542E-2  1.73643832E-5    3
 -2.87590703E-8 8.11535228E-12  -2.80331304E2   8.13614116E0                   4
NEC6D3-1                H  11C   6          G     300.0    5000.0  1399.0      1
   1.89073863E1   2.2839593E-2 -7.66824433E-6  1.17627541E-9-6.76916972E-14    2
    9.2286282E3  -7.54313708E1  -2.07184658E0  7.29092069E-2 -5.29942214E-5    3
  1.96552393E-8-2.92726725E-12   1.63181928E4   3.67132072E1                   4
NEC6OH4-3O2             H  13O   3C   6     G     300.0    5000.0  1372.0      1
   2.89853836E1  2.69420382E-2   -9.352665E-6  1.46763857E-9 -8.5820287E-14    2
  -4.86228785E4   -1.2522327E2   1.39301468E0  8.33633406E-2 -4.88992359E-5    3
  1.16850071E-8-5.83495186E-13  -3.83917839E4   2.55605417E1                   4
NEC6-3O2                H  13O   2C   6     G     300.0    5000.0  1369.0      1
   2.65616375E1  2.72041457E-2 -9.50972591E-6  1.49865725E-9-8.78759936E-14    2
  -2.95758052E4  -1.16686043E2   1.86343008E0   7.4409175E-2 -3.83680872E-5    3
  6.33232084E-9 4.12626048E-13  -2.00438624E4   1.95258254E1                   4
NEC6-3O                 H  13O   1C   6     G     300.0    5000.0  1507.0      1
   2.57489293E1  2.68314697E-2 -9.62339353E-6  1.54222987E-9-9.14771721E-14    2
  -2.88862881E4  -1.17287539E2   4.07334658E0  5.21102264E-2 -1.02498319E-6    3
 -1.77736826E-8 5.75636138E-12  -1.89194384E4   7.96865355E0                   4
NEC6OOH1-4              H  13O   2C   6     G     300.0    5000.0  2037.0      1
   2.27169528E1  3.23505273E-2 -1.19199899E-5    1.951375E-9-1.17619074E-13    2
  -1.76268482E4  -9.03539771E1  3.98625838E-1  7.85121642E-2   -4.401467E-5    3
  1.02940169E-8-6.43476589E-13  -9.73184104E3   3.10083642E1                   4
NEC6OOH4-3              H  13O   2C   6     G     300.0    5000.0  1685.0      1
   2.24734048E1  3.25962048E-2 -1.20144041E-5  1.96720688E-9-1.18587575E-13    2
  -1.88463682E4  -9.01077054E1    1.7497051E0  7.29674389E-2 -3.67302262E-5    3
  6.36340597E-9 1.09699138E-13  -1.13039975E4   2.34501377E1                   4
NEC6O3-4                H  12O   1C   6     G     300.0    5000.0  1525.0      1
     2.262662E1  2.52056481E-2 -8.58180805E-6  1.32923322E-9-7.70240905E-14    2
  -3.25980892E4  -1.01049851E2  -4.05968827E0  8.35200049E-2 -5.35843032E-5    3
  1.51956588E-8-1.32736948E-12  -2.31951884E4   4.32520242E1                   4
NEC6OOH3-1O2            H  13O   4C   6     G     300.0    5000.0  1373.0      1
   3.17235846E1    2.715184E-2 -9.51365945E-6  1.50180732E-9-8.81698049E-14    2
  -4.08314021E4  -1.36451798E2   2.81480429E0  8.67636999E-2 -5.22569741E-5    3
  1.32810504E-8-8.90037778E-13  -3.01329226E4   2.13979926E1                   4
NEC6KET1-1A             H  12O   3C   6     G     300.0    5000.0  1396.0      1
   2.44786226E1  2.77826139E-2 -9.53147757E-6  1.48287519E-9-8.61602684E-14    2
  -5.37655687E4  -9.61609603E1   1.68017501E0  7.92932073E-2 -5.33743964E-5    3
  1.82083919E-8-2.50094002E-12  -4.56921955E4   2.68682958E1                   4
NEC6KET3-4              H  12O   3C   6     G     300.0    5000.0  1392.0      1
   2.70989527E1  2.46494248E-2  -8.2752338E-6  1.27043746E-9-7.31878218E-14    2
   -5.7015806E4   -1.1166492E2  -1.32839856E0  9.56528383E-2 -7.64366098E-5    3
  3.10897904E-8-5.07124943E-12  -4.77182539E4    3.9188033E1                   4
NEC6Q11A-1B             H  13O   4C   6     G     300.0    5000.0  1369.0      1
   3.17406419E1  2.73481649E-2 -9.72218832E-6   1.5490391E-9-9.15145828E-14    2
  -3.11094451E4  -1.34090557E2   2.24446125E0   8.6073321E-2 -4.93420319E-5    3
  1.10530343E-8 -3.8451076E-13  -1.99386804E4     2.778733E1                   4
NEC6Q13-4               H  13O   4C   6     G     300.0    5000.0  1375.0      1
   3.22233619E1  2.64259279E-2 -9.28954594E-6  1.46948737E-9-8.63933288E-14    2
  -3.29686324E4  -1.37048428E2   2.99394174E0  8.75878902E-2   -5.437369E-5    3
  1.46763086E-8-1.19529242E-12  -2.22400932E4   2.22371154E1                   4
NEC6KET1-1AO            H  11O   2C   6     G     300.0    5000.0  1399.0      1
   2.19209257E1  2.54010352E-2 -8.64438521E-6  1.33776275E-9-7.74477016E-14    2
  -3.48201228E4  -8.48550529E1   2.67336474E0  6.52544858E-2 -3.73764713E-5    3
  9.29689689E-9-6.16819357E-13   -2.7713416E4   2.01793291E1                   4
NEC6KET3-4O             H  11O   2C   6     G     300.0    5000.0  2002.0      1
    1.8069109E1  2.98011726E-2 -1.04940027E-5  1.66757513E-9-9.84821637E-14    2
  -3.60245865E4  -6.40563565E1   5.98364892E0   5.1913341E-2 -2.20377406E-5    3
  2.37706766E-9  4.2388772E-13  -3.14758374E4   2.68572692E0                   4
NEC6O11A-3OOH           H  12O   3C   6     G     300.0    5000.0  1486.0      1
    2.7211073E1  2.60185078E-2  -8.8741383E-6   1.3764308E-9 -7.9845746E-14    2
  -4.47005422E4  -1.18775938E2  -4.33422446E0  9.76196235E-2 -6.75777024E-5    3
  2.15419971E-8-2.41691773E-12  -3.38649535E4   5.08332085E1                   4
NEC6O14-1AOOH           H  12O   3C   6     G     300.0    5000.0  1419.0      1
   2.61447928E1  2.79459918E-2 -9.66707412E-6  1.51323658E-9-8.83298951E-14    2
  -5.29079436E4    -1.138883E2  -6.47416441E0  9.89827441E-2  -6.4395265E-5    3
  1.84172472E-8-1.63786722E-12  -4.13671991E4    6.2619679E1                   4
TC4H9CO                 H   9O   1C   5     G     300.0    5000.0  1395.0      1
   1.56659551E1  2.11331387E-2 -7.20878019E-6   1.1171111E-9-6.47270809E-14    2
  -1.97876007E4  -5.72982679E1   1.66660364E0  4.98317513E-2 -2.80100656E-5    3
  7.14775216E-9-5.73473913E-13  -1.45314967E4   1.92959989E1                   4
NEC6-3                  H  13C   6          G     300.0    5000.0  1464.0      1
   2.19087827E1  2.75757471E-2 -9.88715553E-6  1.58415056E-9-9.39489475E-14    2
  -1.09745368E4  -9.70995192E1   4.30114928E0   3.5997254E-2  2.28207868E-5    3
 -3.21597112E-8 8.84363578E-12  -1.70098976E3   8.89023996E0                   4
NEC6OH3-4J              H  13O   1C   6     G     300.0    5000.0  1673.0      1
   2.15732331E1  3.17437687E-2 -1.18456028E-5   1.9550836E-9-1.18497197E-13    2
   -2.7774173E4  -8.96505218E1    2.7205038E0  6.35007683E-2 -2.43348761E-5    3
-5.48905734E-10 1.46492041E-12   -2.0428706E4   1.54375899E1                   4
NEC6-1OOH               H  14O   2C   6     G     300.0    5000.0  2034.0      1
    2.3230122E1   3.4445605E-2 -1.26446583E-5  2.06515315E-9-1.24282641E-13    2
    -4.269548E4  -9.58565275E1 -1.47156698E-1  8.27670694E-2 -4.61796923E-5    3
  1.07370644E-8-6.58424115E-13  -3.44254294E4   3.12708959E1                   4
NEC6-4OOH               H  14O   2C   6     G     300.0    5000.0  2034.0      1
    2.3230122E1   3.4445605E-2 -1.26446583E-5  2.06515315E-9-1.24282641E-13    2
    -4.269548E4  -9.69536588E1 -1.47156698E-1  8.27670694E-2 -4.61796923E-5    3
  1.07370644E-8-6.58424115E-13  -3.44254294E4   3.01737646E1                   4
NEC6-4O                 H  13O   1C   6     G     300.0    5000.0  1431.0      1
   2.66057708E1  2.62411009E-2 -9.45327279E-6  1.51941909E-9-9.03084735E-14    2
  -2.73833422E4  -1.21642558E2   7.62037373E0  3.34748687E-2  3.11814848E-5    3
 -3.95207252E-8 1.08044156E-11   -1.7364467E4  -6.98288134E0                   4
NEC6OOH3-1              H  13O   2C   6     G     300.0    5000.0  1369.0      1
   2.71169597E1  2.61568954E-2 -9.11829971E-6  1.43466449E-9-8.40404963E-14    2
   -2.1721553E4  -1.16616839E2   1.32886935E0  7.73681237E-2 -4.30652898E-5    3
  9.00092135E-9-1.15555587E-13  -1.19875763E4   2.48800986E1                   4
NEC6O1-1A               H  12O   1C   6     G     300.0    5000.0  1430.0      1
   2.16797421E1  2.68663676E-2 -9.24848538E-6  1.44294288E-9-8.40317327E-14    2
   -3.1582237E4  -9.53468609E1  -5.69683991E0  8.32543981E-2 -4.83136157E-5    3
  1.08022275E-8-2.61768076E-13   -2.1581162E4    5.3926008E1                   4
NEC6OOH1-1AO2           H  13O   4C   6     G     300.0    5000.0  1367.0      1
    3.1334446E1   2.8104172E-2 -9.97966212E-6  1.58886108E-9-9.38176746E-14    2
  -3.90083908E4  -1.33183891E2   2.64968627E0  8.36087927E-2 -4.52352802E-5    3
  8.61422187E-9  1.1969321E-13  -2.79736067E4   2.48283893E1                   4
NEC6OOH3-4O2            H  13O   4C   6     G     300.0    5000.0  1373.0      1
   3.17235846E1    2.715184E-2 -9.51365945E-6  1.50180732E-9-8.81698049E-14    2
  -4.08314021E4  -1.37548929E2   2.81480429E0  8.67636999E-2 -5.22569741E-5    3
  1.32810504E-8-8.90037778E-13  -3.01329226E4   2.03008612E1                   4
NEC6KET1-3              H  12O   3C   6     G     300.0    5000.0  1405.0      1
   2.48143701E1  2.69568714E-2 -9.12786572E-6  1.40756488E-9-8.12789012E-14    2
  -5.55913382E4  -9.91747638E1   1.97765978E0  8.18057375E-2 -5.95026667E-5    3
  2.24164458E-8-3.43103055E-12  -4.78694492E4   2.28394374E1                   4
NEC6KET4-1              H  12O   3C   6     G     300.0    5000.0  1668.0      1
   2.44566927E1  3.11402131E-2 -1.15691568E-5  1.90425227E-9-1.15209476E-13    2
   -5.3698332E4  -9.91443785E1   1.55433627E0  7.62058028E-2 -3.95231049E-5    3
  7.01354124E-9 1.16834228E-13  -4.54327288E4   2.61418963E1                   4
NEC6Q11A-3              H  13O   4C   6     G     300.0    5000.0  1676.0      1
   2.66829871E1  3.33420986E-2 -1.22942916E-5  2.01377455E-9-1.21432018E-13    2
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  9.92793788E-9-4.16548123E-13  -2.14510459E4   2.76004128E1                   4
NEC6Q14-1A              H  13O   4C   6     G     300.0    5000.0  1369.0      1
   3.17406419E1  2.73481649E-2 -9.72218832E-6   1.5490391E-9-9.15145828E-14    2
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  1.10530343E-8 -3.8451076E-13  -1.99386804E4   2.84768116E1                   4
NEC6KET1-3O             H  11O   2C   6     G     300.0    5000.0  1412.0      1
   2.20765561E1  2.48473152E-2 -8.36149166E-6  1.28413595E-9-7.39450148E-14    2
  -3.66679892E4  -8.68460936E1   2.64095931E0  6.81342967E-2 -4.36093882E-5    3
  1.35548171E-8 -1.5718611E-12  -2.98128323E4   1.81059848E1                   4
NEC6KET4-1O             H  11O   2C   6     G     300.0    5000.0  1445.0      1
   2.61281265E1  2.31817501E-2 -8.19524524E-6  1.30192751E-9-7.67890336E-14    2
  -3.71293031E4  -1.12737784E2   3.97586272E0  5.46130625E-2 -9.83138817E-6    3
  -1.2027248E-8  4.5947322E-12  -2.76462464E4   1.30427932E1                   4
NEC6O11A-4OOH           H  12O   3C   6     G     300.0    5000.0  1412.0      1
   2.67175017E1  2.70721666E-2 -9.37300164E-6  1.46802923E-9-8.57235351E-14    2
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   1.8072236E-8-1.65344473E-12  -3.16519503E4   5.51682446E1                   4
NEC6O14-3OOH            H  12O   3C   6     G     300.0    5000.0  1494.0      1
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   -5.4799646E4  -1.18312432E2  -6.38145804E0  1.02123759E-1 -7.12140468E-5    3
  2.29416096E-8-2.62176594E-12  -4.35058313E4   5.89036713E1                   4
IC5Y3-2J                H   9O   1C   5     G     300.0    5000.0  1453.0      1
   1.48298031E1  2.06197746E-2  -6.7836513E-6  1.02662571E-9-5.85338158E-14    2
   -2.0481183E4   -4.8514851E1    3.5442249E0  3.87182432E-2 -1.21956765E-5    3
 -2.47717822E-9 1.54844406E-12  -1.58312784E4   1.48677635E1                   4
NEC6-4                  H  13C   6          G     300.0    5000.0  1466.0      1
    2.2847119E1  2.67549166E-2 -9.59858665E-6  1.53853098E-9-9.12690127E-14    2
  -9.63186073E3  -1.02639534E2   4.41968769E0  3.90549542E-2  1.73643832E-5    3
 -2.87590703E-8 8.11535228E-12  -2.80331304E2    7.0390098E0                   4
NEC6OH4-3J              H  13O   1C   6     G     300.0    5000.0  1515.0      1
   2.48741127E1  2.71276261E-2 -9.72004955E-6  1.55669616E-9-9.22928431E-14    2
  -2.93014224E4  -1.08675687E2   4.17270541E0   4.9754731E-2  1.47411141E-6    3
 -1.88392939E-8 5.91571305E-12   -1.9609258E4   1.15257597E1                   4
NEC6-1O2                H  13O   2C   6     G     300.0    5000.0  2026.0      1
   2.22643587E1  3.31601532E-2 -1.22005892E-5  1.99539677E-9-1.20192712E-13    2
  -2.54951101E4   -8.9854375E1  7.44796304E-1  7.64101575E-2 -4.06077594E-5    3
  8.38624715E-9-2.77437339E-13  -1.77600743E4   2.76150121E1                   4
NEC6-4O2                H  13O   2C   6     G     300.0    5000.0  2026.0      1
   2.22643587E1  3.31601532E-2 -1.22005892E-5  1.99539677E-9-1.20192712E-13    2
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  8.38624715E-9-2.77437339E-13  -1.77600743E4   2.65178808E1                   4
NEC6OOH1-1A             H  13O   2C   6     G     300.0    5000.0  2037.0      1
   2.27169528E1  3.23505273E-2 -1.19199899E-5    1.951375E-9-1.17619074E-13    2
  -1.76268482E4  -8.96644955E1  3.98625838E-1  7.85121642E-2   -4.401467E-5    3
  1.02940169E-8-6.43476589E-13  -9.73184104E3   3.16978458E1                   4
NEC6OOH3-4              H  13O   2C   6     G     300.0    5000.0  1368.0      1
   2.72478036E1  2.61086319E-2 -9.11470227E-6  1.43539627E-9-8.41334141E-14    2
  -2.17653713E4  -1.18287528E2   1.89680778E0  7.57938668E-2 -4.11341424E-5    3
   7.9513009E-9  9.3562065E-14   -1.2127186E4   2.10501941E1                   4
NEC6O1-3                H  12O   1C   6     G     300.0    5000.0  1544.0      1
   2.18633646E1  2.62631967E-2 -8.94379129E-6   1.3854899E-9-8.02912677E-14    2
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  1.54628296E-8-1.29513386E-12  -2.36497023E4    5.2691369E1                   4
NEC6OOH1-3O2            H  13O   4C   6     G     300.0    5000.0  1373.0      1
   3.17235846E1    2.715184E-2 -9.51365945E-6  1.50180732E-9-8.81698049E-14    2
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  1.32810504E-8-8.90037778E-13  -3.01329226E4   2.13979926E1                   4
NEC6OOH4-1O2            H  13O   4C   6     G     300.0    5000.0  1367.0      1
    3.1334446E1   2.8104172E-2 -9.97966212E-6  1.58886108E-9-9.38176746E-14    2
  -3.90083908E4  -1.33873373E2   2.64968627E0  8.36087927E-2 -4.52352802E-5    3
  8.61422187E-9  1.1969321E-13  -2.79736067E4   2.41389076E1                   4
NEC6KET1-4              H  12O   3C   6     G     300.0    5000.0  1396.0      1
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  1.82083919E-8-2.50094002E-12  -4.56921955E4   2.61788141E1                   4
NEC6KET4-3              H  12O   3C   6     G     300.0    5000.0  1365.0      1
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  1.84607433E-8-1.68822755E-12  -4.52815583E4   4.40108935E1                   4
NEC6Q11A-4              H  13O   4C   6     G     300.0    5000.0  1369.0      1
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NEC6Q14-3               H  13O   4C   6     G     300.0    5000.0  2040.0      1
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NEC6KET1-4O             H  11O   2C   6     G     300.0    5000.0  1399.0      1
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  9.29689689E-9-6.16819357E-13   -2.7713416E4   1.94898474E1                   4
NEC6KET4-3O             H  11O   2C   6     G     300.0    5000.0  1533.0      1
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NEC6O13-1AOOH           H  12O   3C   6     G     300.0    5000.0  1434.0      1
    2.6911176E1  2.64563597E-2 -9.06285801E-6  1.40959847E-9-8.19205901E-14    2
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NEC6O34-1OOH            H  12O   3C   6     G     300.0    5000.0  1428.0      1
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  2.23170945E-8-2.68797361E-12  -3.32775227E4   4.52773904E1                   4
XC6                     H  14C   6          G     300.0    5000.0  1398.0      1
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XC6-1                   H  13C   6          G     300.0    5000.0  1399.0      1
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  2.80597128E-8-4.96971077E-12   8.90799302E2   4.08745096E1                   4
XC6D1-1A                H  11C   6          G     300.0    5000.0  1394.0      1
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  1.93055826E-8-2.94210456E-12     7.853302E3   3.68750448E1                   4
XC6OH2-3J               H  13O   1C   6     G     300.0    5000.0  1390.0      1
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XC6-1OOH                H  14O   2C   6     G     300.0    5000.0  1399.0      1
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XC6-1O                  H  13O   1C   6     G     300.0    5000.0  1401.0      1
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XC6OOH1-3               H  13O   2C   6     G     300.0    5000.0  1394.0      1
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XC6OOH2-4               H  13O   2C   6     G     300.0    5000.0  1399.0      1
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XC6O1-4                 H  12O   1C   6     G     300.0    5000.0  1428.0      1
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XC6OOH1-3O2             H  13O   4C   6     G     300.0    5000.0  1399.0      1
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XC6OOH2-4O2             H  13O   4C   6     G     300.0    5000.0  1399.0      1
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XC6KET1-4               H  12O   3C   6     G     300.0    5000.0  1399.0      1
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XC6D1-3OOH              H  12O   2C   6     G     300.0    5000.0  1393.0      1
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XC6Q12-1A               H  13O   4C   6     G     300.0    5000.0  1399.0      1
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XC6Q13-2                H  13O   4C   6     G     300.0    5000.0  1395.0      1
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XC6Q23-1                H  13O   4C   6     G     300.0    5000.0  1399.0      1
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XC6KET1-4O              H  11O   2C   6     G     300.0    5000.0  1405.0      1
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XC6O12-1AOOH            H  12O   3C   6     G     300.0    5000.0  1413.0      1
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XC6O13-2OOH             H  12O   3C   6     G     300.0    5000.0  1410.0      1
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XC6O23-1OOH             H  12O   3C   6     G     300.0    5000.0  1404.0      1
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XC6D1-3O                H  11O   1C   6     G     300.0    5000.0  1390.0      1
   2.15701148E1  2.32922064E-2 -7.86120479E-6  1.21023872E-9-6.98250785E-14    2
  -1.26534516E4  -8.72206971E1   2.05776867E0  6.65207594E-2 -4.30904053E-5    3
  1.36377395E-8-1.64620903E-12  -5.71689335E3    1.8282771E1                   4
DC5H10O                 H  10O   1C   5     G     300.0    5000.0  1383.0      1
   1.70194059E1  2.23541546E-2 -7.59760895E-6  1.17496754E-9-6.79975164E-14    2
  -3.69052947E4  -6.35759895E1  5.60209195E-1   5.9502124E-2 -4.09402956E-5    3
  1.60160065E-8-2.91092227E-12    -3.096534E4   2.54825881E1                   4
XC6D13-1AR              H   9C   6          G     100.0    5000.0  971.93      1
   1.51441149E1  2.30415153E-2  -8.0187182E-6    1.430479E-9-1.00899234E-13    2
   1.65737533E4  -5.48158948E1   1.00436715E0  5.43261196E-2  -1.4773751E-5    3
 -2.24202292E-8 1.33606233E-11   2.05932534E4   1.95357941E1                   4
XC6-2                   H  13C   6          G     300.0    5000.0  1392.0      1
   1.73989422E1   2.9155699E-2 -9.91490973E-6  1.53307274E-9-8.86843024E-14    2
  -8.17295859E3   -6.5771837E1  1.91030803E-1  6.56467017E-2 -3.87840533E-5    3
   1.1699098E-8-1.43876298E-12  -1.74864252E3   2.80886511E1                   4
XC6D1-3                 H  11C   6          G     300.0    5000.0  1387.0      1
    1.7988415E1  2.41485632E-2 -8.14260718E-6  1.25268725E-9-7.22363304E-14    2
   -1.4601823E3  -7.04850431E1 -5.73888631E-1  6.49058899E-2  -4.1240889E-5    3
  1.30044806E-8-1.59933047E-12    5.2149891E3    3.0078241E1                   4
XC6OH1-2O2              H  13O   3C   6     G     300.0    5000.0  1401.0      1
   2.53178196E1  2.90172643E-2 -9.82186623E-6  1.51387928E-9-8.73792601E-14    2
  -4.81725091E4  -1.01129302E2  -3.7474118E-1  9.78673111E-2 -8.25919923E-5    3
  3.70174635E-8-6.72293297E-12  -4.00756827E4   3.38169526E1                   4
XC6-1O2                 H  13O   2C   6     G     300.0    5000.0  1398.0      1
   2.32316136E1  2.89175635E-2 -9.84290727E-6  1.52291711E-9-8.81377166E-14    2
  -2.52121918E4  -9.19663152E1  -1.17923305E0  9.19620997E-2 -7.41820367E-5    3
   3.2029488E-8-5.67309644E-12  -1.72628546E4   3.71218597E1                   4
XC6-2O                  H  13O   1C   6     G     300.0    5000.0  1390.0      1
   2.18336569E1  2.83633649E-2 -9.73725588E-6  1.51541565E-9-8.80673164E-14    2
  -2.69972341E4  -9.04197269E1   1.98983212E0  7.12939268E-2 -4.45459222E-5    3
  1.41395681E-8-1.82386381E-12   -1.9706602E4   1.74633508E1                   4
XC6OOH1-4               H  13O   2C   6     G     300.0    5000.0  1399.0      1
   2.36347087E1  2.81787222E-2 -9.59450915E-6  1.48483545E-9-8.59489007E-14    2
  -1.73157536E4  -9.14854875E1  -1.60168365E0  9.45002331E-2 -7.83999088E-5    3
  3.45469151E-8-6.19712298E-12  -9.22522827E3   4.15402463E1                   4
XC6O1-1A                H  12O   1C   6     G     300.0    5000.0  1427.0      1
   1.91287155E1  2.70432294E-2 -8.86784821E-6  1.33738459E-9-7.60128672E-14    2
  -2.92071388E4  -7.78969001E1  -8.47679788E0  1.03300493E-1 -8.97362442E-5    3
  4.00365429E-8-7.06790248E-12  -2.09695416E4   6.58929221E1                   4
XC6O2-3                 H  12O   1C   6     G     300.0    5000.0  1404.0      1
    2.0140851E1  2.71633371E-2 -9.21080527E-6  1.42162572E-9-8.21394187E-14    2
  -3.53050389E4  -8.63096601E1  -1.59776055E0  7.85034517E-2 -5.54727245E-5    3
  2.03276323E-8 -3.0352451E-12   -2.7850881E4   3.01737804E1                   4
XC6OOH1-4O2             H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.82816196E1  2.91065473E-2 -9.96065378E-6  1.54687935E-9-8.97623442E-14    2
  -3.64423977E4  -1.11551969E2 -4.99918075E-2  1.03564692E-1 -8.70474644E-5    3
  3.84601959E-8-6.88599162E-12  -2.73795856E4   3.77560609E1                   4
XC6KET1-1A              H  12O   3C   6     G     300.0    5000.0  1399.0      1
   2.46714355E1  2.74883862E-2  -9.4000101E-6  1.45914377E-9 -8.4645768E-14    2
  -5.24451758E4  -9.66058099E1   1.11064577E0  8.42853027E-2 -6.23669784E-5    3
  2.41729407E-8-3.85012551E-12  -4.44379273E4   2.93066716E1                   4
XC6D1-1AOOH             H  12O   2C   6     G     300.0    5000.0  1392.0      1
   2.46108799E1  2.58553347E-2 -8.93603978E-6  1.39724741E-9-8.14732899E-14    2
  -2.74198015E4  -9.96048088E1  -1.73911908E0  9.22082138E-2 -7.46178831E-5    3
  3.16085923E-8-5.46978634E-12  -1.86976472E4   4.02964033E1                   4
XC6Q11A-2               H  13O   4C   6     G     300.0    5000.0  1395.0      1
   2.74536765E1  2.94762294E-2 -1.01076744E-5  1.57180525E-9-9.12919851E-14    2
  -3.05293742E4  -1.06388912E2   3.22415162E0  8.86486529E-2 -6.68314578E-5    3
  2.68998037E-8 -4.4979865E-12  -2.22986069E4   2.29487158E1                   4
XC6Q12-3                H  13O   4C   6     G     300.0    5000.0  1395.0      1
   2.73634337E1  2.93924511E-2 -1.00425028E-5  1.55779191E-9-9.03186353E-14    2
  -3.45239102E4  -1.07405173E2   4.20188765E0  8.67994696E-2 -6.62453743E-5    3
  2.72724267E-8-4.67358379E-12   -2.6716075E4   1.59727807E1                   4
XC6Q13-4                H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.87261564E1  2.82427926E-2 -9.64805685E-6  1.49647712E-9-8.67598938E-14    2
   -3.2584515E4  -1.14319454E2   1.24943906E0   1.0193365E-1 -8.76541117E-5    3
  3.96351417E-8 -7.2323509E-12  -2.39268459E4   2.99853314E1                   4
XC6KET1-1AO             H  11O   2C   6     G     300.0    5000.0  1405.0      1
   2.21353419E1  2.50701368E-2 -8.49634782E-6  1.31104675E-9-7.57436193E-14    2
  -3.39004964E4  -8.53991411E1   2.25714335E0  6.96759603E-2 -4.55531647E-5    3
  1.47511057E-8-1.85100256E-12  -2.68883654E4    2.1882367E1                   4
XC6O11A-2OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.50195232E1  2.72490593E-2 -9.14796144E-6  1.40261107E-9 -8.0672822E-14    2
  -4.51423035E4  -1.05653236E2  -7.51230163E0  1.16289788E-1 -1.03265025E-4    3
  4.65428454E-8-8.28886649E-12  -3.52953885E4   6.41873508E1                   4
XC6O12-3OOH             H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.59570757E1  2.61804562E-2 -8.81333118E-6  1.35393821E-9-7.79834789E-14    2
   -4.7620241E4  -1.10603225E2  -2.27686394E0  9.91031092E-2  -8.1170196E-5    3
  3.39354351E-8-5.66175906E-12  -3.86595433E4   3.83093645E1                   4
XC6O13-4OOH             H  12O   3C   6     G     300.0    5000.0  1408.0      1
   2.51815694E1  2.77689347E-2  -9.4713786E-6  1.46800115E-9-8.50805728E-14    2
  -4.45437169E4  -1.05165887E2  -5.42607054E0  1.05176751E-1  -8.4745319E-5    3
  3.47712237E-8-5.71194698E-12  -3.46339806E4   5.69030502E1                   4
C4H72-2CHO              H   8O   1C   5     G     300.0    5000.0  1387.0      1
   1.67230784E1   1.7825111E-2 -6.01393758E-6 9.25750867E-10-5.34111044E-14    2
  -2.53242873E4  -6.30324679E1     1.349306E0  5.33431395E-2 -3.71622345E-5    3
  1.32823882E-8-1.92824582E-12  -1.99689848E4   1.96371383E1                   4
DC5H9O-C                H   9O   1C   5     G     300.0    5000.0  1382.0      1
   1.64952419E1  2.06785496E-2 -7.10753548E-6  1.10711698E-9-6.43808772E-14    2
  -1.73859201E4  -6.02592731E1   2.97148231E0  5.09598679E-2  -3.5154312E-5    3
  1.46259326E-8-2.92662633E-12  -1.23796083E4   1.31855976E1                   4
C6H11-1D5O              H  11O   1C   6     G     300.0    5000.0  1407.0      1
   2.02215422E1  2.43935819E-2 -8.22353442E-6   1.2643591E-9 -7.2859142E-14    2
  -8.25382946E3  -7.72058086E1   1.56545896E0  6.72671217E-2  -4.5883398E-5    3
  1.66166474E-8-2.59273522E-12  -1.73899772E3   2.32046764E1                   4
XC6D1                   H  12C   6          G     300.0    5000.0  1396.0      1
   1.75867134E1  2.70341477E-2 -9.21902992E-6  1.42821722E-9-8.27320341E-14    2
  -1.71048398E4  -6.92316049E1  -1.65724749E0  7.11887345E-2 -4.81415887E-5    3
  1.71761453E-8-2.55414229E-12  -1.02995608E4   3.44731528E1                   4
XC6OH1-2J               H  13O   1C   6     G     300.0    5000.0  1400.0      1
   2.04842762E1  2.83265005E-2 -9.55500826E-6  1.46916738E-9-8.46495228E-14    2
  -2.56754214E4  -7.77950001E1 -9.04295117E-1  8.40275741E-2 -6.70208245E-5    3
  2.90258042E-8-5.18025849E-12  -1.87407195E4   3.51723594E1                   4
XC6OH2-1O2              H  13O   3C   6     G     300.0    5000.0  1392.0      1
   2.58469366E1  2.91759653E-2 -1.00133922E-5  1.55820109E-9-9.05494205E-14    2
  -4.77622207E4  -1.03529298E2  8.51853683E-1  9.02643847E-2 -6.86260628E-5    3
  2.77619834E-8-4.65737678E-12  -3.92784863E4   2.98756733E1                   4
XC6-2OOH                H  14O   2C   6     G     300.0    5000.0  1399.0      1
   2.40897692E1  3.01783906E-2 -1.02476939E-5   1.5829179E-9 -9.1501137E-14    2
  -4.64283467E4  -1.00581745E2 -7.97451792E-1   9.5285452E-2 -7.77101022E-5    3
  3.40545217E-8-6.11431487E-12  -3.83928415E4   3.07538377E1                   4
XC6OOH1-1A              H  13O   2C   6     G     300.0    5000.0  1399.0      1
   2.36347087E1  2.81787222E-2 -9.59450915E-6  1.48483545E-9-8.59489007E-14    2
  -1.73157536E4  -9.21749692E1  -1.60168365E0  9.45002331E-2 -7.83999088E-5    3
  3.45469151E-8-6.19712298E-12  -9.22522827E3   4.08507647E1                   4
XC6OOH2-1               H  13O   2C   6     G     300.0    5000.0  1399.0      1
   2.36758583E1  2.80484932E-2 -9.52734044E-6  1.47194044E-9-8.50975662E-14    2
  -2.13555346E4  -9.47387759E1  1.30272375E-1  9.02511859E-2 -7.46530338E-5    3
  3.31149092E-8-5.99907623E-12  -1.38105997E4   2.93072319E1                   4
XC6O1-2                 H  12O   1C   6     G     300.0    5000.0  1409.0      1
   2.06783339E1  2.66441155E-2 -9.01934049E-6  1.39057205E-9-8.02877863E-14    2
  -3.23449761E4  -8.67052008E1  -4.95309827E0  9.15283829E-2 -7.23982733E-5    3
  2.96408644E-8-4.89820163E-12  -2.40261306E4   4.90356479E1                   4
XC6OOH1-1AO2            H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.82816196E1  2.91065473E-2 -9.96065378E-6  1.54687935E-9-8.97623442E-14    2
  -3.64423977E4   -1.1224145E2 -4.99918075E-2  1.03564692E-1 -8.70474644E-5    3
  3.84601959E-8-6.88599162E-12  -2.73795856E4   3.70665793E1                   4
XC6OOH2-1O2             H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.81710896E1  2.90629339E-2 -9.91418212E-6  1.53627135E-9-8.90063848E-14    2
  -4.04289017E4  -1.14108682E2   1.06447201E0  1.01154689E-1 -8.56670029E-5    3
  3.83682469E-8-6.96427317E-12  -3.18190385E4   2.84811566E1                   4
XC6KET1-2               H  12O   3C   6     G     300.0    5000.0  1392.0      1
   2.88732155E1  2.42360866E-2  -8.3590741E-6  1.30594962E-9-7.61283876E-14    2
  -5.56163049E4  -1.21844625E2  -1.87122073E0  1.01973389E-1 -8.45547126E-5    3
  3.55803765E-8-6.00767332E-12  -4.55999177E4   4.10615677E1                   4
XC6D2-1OOH              H  12O   2C   6     G     300.0    5000.0  1390.0      1
   2.35435847E1  2.66994141E-2 -9.21514556E-6  1.43969651E-9-8.39041065E-14    2
  -2.86787321E4   -9.4082869E1  -2.74388333E0  9.03436128E-2  -6.9091762E-5    3
  2.74730662E-8-4.47887582E-12  -1.97554133E4   4.63358392E1                   4
XC6Q11A-3               H  13O   4C   6     G     300.0    5000.0  1395.0      1
   2.74172993E1  2.96028641E-2 -1.01738424E-5  1.58457986E-9 -9.2138099E-14    2
  -3.05922801E4   -1.0582848E2   2.57912823E0  8.83136938E-2 -6.38625891E-5    3
  2.42222345E-8-3.79909985E-12   -2.2001954E4   2.73789572E1                   4
XC6Q12-4                H  13O   4C   6     G     300.0    5000.0  1400.0      1
   2.85660995E1  2.83372978E-2 -9.67166211E-6  1.49923875E-9-8.68837789E-14    2
  -3.25295273E4  -1.13582417E2  6.76372173E-1  1.03542906E-1 -8.96680731E-5    3
  4.07572282E-8-7.46110146E-12  -2.37866651E4   3.27399689E1                   4
XC6Q14-1A               H  13O   4C   6     G     300.0    5000.0  1400.0      1
   2.86883137E1  2.83595673E-2 -9.70837744E-6  1.50808503E-9-8.75278228E-14    2
  -2.85469892E4  -1.11779964E2 -4.77764912E-1   1.0611819E-1 -9.12790149E-5    3
   4.0979756E-8-7.40929138E-12  -1.93409391E4   4.15112981E1                   4
XC6KET1-2O              H  11O   2C   6     G     300.0    5000.0  1387.0      1
   2.41672406E1   2.4260567E-2 -8.42121878E-6  1.32070006E-9-7.71747717E-14    2
  -3.64381341E4  -9.99228043E1   2.36730808E0  6.96220532E-2 -4.16981634E-5    3
  1.10253398E-8-8.86131056E-13  -2.83853223E4   1.90066276E1                   4
XC6O11A-3OOH            H  12O   3C   6     G     300.0    5000.0  1415.0      1
   2.50195232E1  2.72490593E-2 -9.14796144E-6  1.40261107E-9 -8.0672822E-14    2
  -4.51423035E4  -1.05653236E2  -7.51230163E0  1.16289788E-1 -1.03265025E-4    3
  4.65428454E-8-8.28886649E-12  -3.52953885E4   6.41873508E1                   4
XC6O12-4OOH             H  12O   3C   6     G     300.0    5000.0  1413.0      1
   2.61608252E1  2.62636048E-2  -8.8991628E-6  1.37332927E-9-7.93564674E-14    2
  -4.37199478E4  -1.08699248E2  -3.41494715E0  1.01282434E-1 -8.17192298E-5    3
  3.33778431E-8-5.42904717E-12  -3.42089302E4   4.77560986E1                   4
XC6O14-1AOOH            H  12O   3C   6     G     300.0    5000.0  1414.0      1
   2.42964648E1  2.83167473E-2  -9.5229887E-6  1.46187999E-9-8.41543631E-14    2
   -5.1111714E4  -9.98569032E1  -1.18288807E1  1.28775706E-1 -1.17406778E-4    3
  5.39627871E-8-9.75226113E-12  -4.03305998E4   8.81913785E1                   4
XC6D1-4                 H  11C   6          G     300.0    5000.0  1395.0      1
   1.70258257E1  2.50253367E-2 -8.53995005E-6  1.32365698E-9-7.67019174E-14    2
   8.00281773E3  -6.27545558E1  -1.37538655E0  6.80943899E-2 -4.76212895E-5    3
  1.77308885E-8-2.76164499E-12   1.44337967E4   3.61225273E1                   4
IC3H7COCH2              H   9O   1C   5     G     300.0    5000.0  1392.0      1
   1.71358006E1  2.04135931E-2 -7.07825623E-6  1.10904867E-9-6.47575444E-14    2
  -1.91759763E4  -6.57203548E1  -1.39438834E0  6.43760252E-2 -4.76105491E-5    3
  1.84219134E-8-2.94771401E-12  -1.27695653E4   3.36240984E1                   4
XC6D2                   H  12C   6          G     300.0    5000.0  1395.0      1
   1.65377042E1  2.78440131E-2  -9.4823599E-6  1.46780225E-9-8.49802129E-14    2
  -1.83660263E4  -6.55948716E1  -2.73003499E0  6.96661577E-2 -4.31377242E-5    3
  1.33549256E-8-1.62973897E-12  -1.13482233E4   3.90271047E1                   4
XC6OH2-1J               H  13O   1C   6     G     300.0    5000.0  1391.0      1
   2.18429903E1  2.77618131E-2 -9.49146319E-6  1.47298771E-9-8.54301682E-14    2
  -2.83298367E4  -8.68983653E1   1.35663298E0  7.74796181E-2 -5.73581155E-5    3
  2.31726995E-8-3.94733272E-12   -2.1276674E4    2.2674854E1                   4
XC6OH2-3O2              H  13O   3C   6     G     300.0    5000.0  1392.0      1
   2.58453423E1  2.89393564E-2 -9.87966027E-6  1.53193844E-9-8.88033882E-14    2
  -5.17840952E4  -1.06683289E2   1.89288234E0  8.81195607E-2 -6.75041481E-5    3
  2.77252224E-8-4.72823457E-12  -4.37056593E4    2.0951099E1                   4
XC6-2O2                 H  13O   2C   6     G     300.0    5000.0  1398.0      1
   2.31141254E1  2.88841845E-2 -9.80092854E-6  1.51311104E-9 -8.7432531E-14    2
  -2.91979693E4  -9.44873248E1 -4.28682158E-2  8.94296189E-2 -7.26102264E-5    3
   3.1820373E-8-5.72623054E-12  -2.17048644E4   2.77511695E1                   4
XC6OOH1-2               H  13O   2C   6     G     300.0    5000.0  1394.0      1
   2.23992842E1  2.92860415E-2 -9.98842717E-6  1.54749639E-9-8.96426545E-14    2
  -1.92982999E4  -8.51183648E1   2.09017172E0  7.70327659E-2  -5.3934188E-5    3
  2.04452567E-8-3.27925055E-12  -1.21801091E4   2.40050562E1                   4
XC6OOH2-3               H  13O   2C   6     G     300.0    5000.0  1394.0      1
   2.22895318E1  2.92441286E-2 -9.94306476E-6  1.53711596E-9-8.89021474E-14    2
  -2.32861317E4  -8.69926872E1   3.18258815E0  7.47151493E-2 -5.26867128E-5    3
   2.0435096E-8-3.37562282E-12   -1.6616073E4   1.55229295E1                   4
XC6O1-3                 H  12O   1C   6     G     300.0    5000.0  1417.0      1
   1.92217871E1  2.76783179E-2 -9.23948965E-6  1.41087672E-9 -8.0906203E-14    2
  -3.26700641E4  -7.96736625E1  -6.05363325E0  9.29065545E-2 -7.40582812E-5    3
   3.0692295E-8-5.11981194E-12  -2.46222606E4   5.36868051E1                   4
XC6OOH1-2O2             H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.81710896E1  2.90629339E-2 -9.91418212E-6  1.53627135E-9-8.90063848E-14    2
  -4.04289017E4  -1.14108682E2   1.06447201E0  1.01154689E-1 -8.56670029E-5    3
  3.83682469E-8-6.96427317E-12  -3.18190385E4   2.84811566E1                   4
XC6OOH2-3O2             H  13O   4C   6     G     300.0    5000.0  1399.0      1
   2.80931806E1   2.8967732E-2 -9.84495459E-6  1.52162004E-9-8.79959089E-14    2
   -4.4428658E4  -1.16853067E2   1.96976258E0  9.96370861E-2 -8.55667261E-5    3
  3.90352399E-8-7.20355318E-12  -3.62259043E4   2.01824811E1                   4
XC6KET1-3               H  12O   3C   6     G     300.0    5000.0  1399.0      1
   2.45734236E1   2.7408457E-2 -9.33551127E-6  1.44516319E-9-8.36712673E-14    2
  -5.64275812E4  -9.85225559E1   2.30224356E0  8.15966255E-2 -6.06025252E-5    3
  2.38378252E-8-3.87216699E-12  -4.88909301E4   2.03498272E1                   4
XC6D1-4OOH              H  12O   2C   6     G     300.0    5000.0  1396.0      1
   2.26724656E1  2.72770145E-2 -9.37386534E-6  1.45988475E-9-8.48824934E-14    2
   -2.8375446E4  -8.90888307E1 -8.72627818E-1  8.43170699E-2 -6.32339927E-5    3
  2.50155074E-8 -4.0880561E-12  -2.03643144E4   3.67031396E1                   4
XC6Q11A-4               H  13O   4C   6     G     300.0    5000.0  1400.0      1
   2.86883137E1  2.83595673E-2 -9.70837744E-6  1.50808503E-9-8.75278228E-14    2
  -2.85469892E4  -1.12469445E2 -4.77764912E-1   1.0611819E-1 -9.12790149E-5    3
   4.0979756E-8-7.40929138E-12  -1.93409391E4   4.08218165E1                   4
XC6Q13-1A               H  13O   4C   6     G     300.0    5000.0  1400.0      1
   2.85660995E1  2.83372978E-2 -9.67166211E-6  1.49923875E-9-8.68837789E-14    2
  -3.25295273E4  -1.14271898E2  6.76372173E-1  1.03542906E-1 -8.96680731E-5    3
  4.07572282E-8-7.46110146E-12  -2.37866651E4   3.20504873E1                   4
XC6Q14-2                H  13O   4C   6     G     300.0    5000.0  1395.0      1
   2.74536765E1  2.94762294E-2 -1.01076744E-5  1.57180525E-9-9.12919851E-14    2
  -3.05293742E4  -1.04728116E2   3.22415162E0  8.86486529E-2 -6.68314578E-5    3
  2.68998037E-8 -4.4979865E-12  -2.22986069E4   2.46095109E1                   4
XC6KET1-3O              H  11O   2C   6     G     300.0    5000.0  1380.0      1
   2.20429619E1  2.59322996E-2 -8.96618448E-6  1.40227331E-9-8.17771834E-14    2
  -3.74421647E4  -8.71101602E1   4.47637448E0  5.79471691E-2 -2.67256349E-5    3
  3.21291683E-9 5.93426543E-13  -3.04446764E4   1.04250994E1                   4
XC6O11A-4OOH            H  12O   3C   6     G     300.0    5000.0  1413.0      1
   2.49696644E1  2.73591347E-2 -9.20035102E-6  1.41224808E-9-8.12917316E-14    2
  -4.10147074E4  -1.02010484E2  -9.35466874E0   1.2291214E-1 -1.12018358E-4    3
  5.15729152E-8-9.34304111E-12  -3.07702222E4   7.66449866E1                   4
XC6O13-1AOOH            H  12O   3C   6     G     300.0    5000.0  1408.0      1
   2.51815694E1  2.77689347E-2  -9.4713786E-6  1.46800115E-9-8.50805728E-14    2
  -4.45437169E4  -1.05855369E2  -5.42607054E0  1.05176751E-1  -8.4745319E-5    3
  3.47712237E-8-5.71194698E-12  -3.46339806E4   5.62135686E1                   4
XC6O14-2OOH             H  12O   3C   6     G     300.0    5000.0  1414.0      1
   2.42589986E1  2.81915319E-2 -9.44453975E-6   1.4459193E-9-8.30732521E-14    2
  -5.50911204E4  -1.02060402E2  -9.94135649E0  1.23611034E-1 -1.12309533E-4    3
  5.16969567E-8-9.36928085E-12  -4.49068636E4    7.5870736E1                   4
XC6D1-1AO               H  11O   1C   6     G     300.0    5000.0  1374.0      1
   2.03650571E1  2.57933866E-2 -9.04282039E-6  1.42726634E-9-8.37614237E-14    2
  -9.19857036E3  -8.02464572E1   3.01781363E0  5.82417085E-2 -2.97517442E-5    3
  6.31316761E-9-3.12394105E-13  -2.21625477E3   1.60388099E1                   4
IC6D13-1AR              H   9C   6          G     300.0    5000.0  1394.0      1
   1.79405946E1  2.00276213E-2 -6.91533008E-6  1.08038189E-9-6.29532593E-14    2
   1.47698585E4  -7.14263476E1  -2.05117868E0  7.49568152E-2 -6.89350265E-5    3
  3.47811444E-8-7.30618168E-12   2.10800315E4   3.34084697E1                   4
DC5H9O-B                H   9O   1C   5     G     300.0    5000.0  2007.0      1
   1.28694305E1  2.43877237E-2 -8.60077074E-6  1.36840737E-9-8.08920178E-14    2
  -1.23563023E4   -3.5850208E1   4.12081525E0   4.0249319E-2 -1.74948308E-5    3
  2.74678558E-9 1.75283515E-14  -9.00817235E3   1.26427359E1                   4
IC5D2Y4                 H   8O   1C   5     G     300.0    5000.0  1395.0      1
   1.61188768E1  1.88125631E-2 -6.45114607E-6  1.00342151E-9-5.82957259E-14    2
  -2.59402813E4  -6.00813259E1  -1.32390537E0  6.10339766E-2  -4.6011792E-5    3
  1.80591574E-8-2.90259716E-12  -2.00334224E4   3.30689696E1                   4
IC5D2Y4-1J              H   7O   1C   5     G     298.0    5000.0 1375.47      1
   7.64436233E0  2.95721597E-2 -1.24368774E-5  2.37359129E-9 -1.6892438E-13    2
  -5.13377077E3  -1.10024895E1   1.55780865E0   4.2706868E-2 -2.13594446E-5    3
  4.00691527E-9 1.28290969E-14  -3.08765715E3   2.17768574E1                   4
IC5D2Y4-4J              H   7O   1C   5     G     298.0    5000.0 1394.09      1
   8.40958505E0  2.72636775E-2 -1.11783718E-5  2.09566786E-9 -1.4724406E-13    2
  -2.26539592E3  -1.38876193E1   2.45468285E0  4.33836533E-2   -2.756416E-5    3
  9.61100744E-9-1.48006657E-12  -5.22662513E2   1.71471631E1                   4
IC5Y4OH2-3J             H   9O   2C   5     G     298.0    5000.0 1358.18      1
   1.07656474E1  3.39810956E-2 -1.44189613E-5  2.76910221E-9-1.97958024E-13    2
  -3.62992751E4  -2.23277814E1   4.04950696E0  4.53367204E-2 -1.67306356E-5    3
  -1.4017514E-9 1.56736102E-12  -3.38042181E4   1.48123717E1                   4
IC5Y4OH3-2J             H   9O   2C   5     G     298.0    5000.0 1368.34      1
   1.08783102E1  3.41355034E-2 -1.45616772E-5   2.8066461E-9-2.01153099E-13    2
  -3.14361536E4  -2.09331774E1   2.45021712E0  5.18063026E-2 -2.55694772E-5    3
  3.91505099E-9  3.7481638E-13  -2.85699531E4   2.46032727E1                   4
IC5Y4OH2-3O2            H   9O   4C   5     G     298.0    5000.0  1395.9      1
   1.84733275E1  3.30984173E-2 -1.44550583E-5  2.83093013E-9-2.05184758E-13    2
  -5.14164678E4  -6.05597724E1   1.11820575E0  8.25892367E-2 -6.79175156E-5    3
  2.89974804E-8-5.13765589E-12  -4.65447291E4   2.90742099E1                   4
IC5Y4OH3-2O2            H   9O   4C   5     G     298.0    5000.0 1403.97      1
   1.67262537E1  3.34586671E-2 -1.41859921E-5  2.72302087E-9-1.94602067E-13    2
  -5.24499514E4  -5.16926376E1   2.12796051E0   7.7064838E-2 -6.38209253E-5    3
  2.83692827E-8-5.28040704E-12  -4.85071065E4   2.30809389E1                   4
IC5Y4OOH2-3J            H   9O   3C   5     G     298.0    5000.0 1375.58      1
   1.39240699E1  3.24739515E-2 -1.35524992E-5  2.57364068E-9-1.82548313E-13    2
  -2.93171665E4  -3.82912817E1   3.80318805E0  5.87181128E-2 -3.83341843E-5    3
  1.26768025E-8 -1.6865787E-12  -2.62855706E4   1.47743077E1                   4
IC5Y4OOH3-2J            H   9O   3C   5     G     298.0    5000.0 1382.48      1
   1.55608791E1  3.26703128E-2  -1.4175395E-5  2.76415208E-9-1.99744108E-13    2
  -2.33399257E4  -4.45359528E1    1.2618964E0  7.04618287E-2 -5.10692827E-5    3
  1.86607871E-8-2.78310128E-12  -1.90998301E4    3.0237911E1                   4
IC5CHO1-3O              H   8O   2C   5     G     298.0    5000.0 1383.75      1
   1.23036054E1  2.95667973E-2 -1.23553974E-5  2.34984108E-9-1.66908254E-13    2
  -3.57442876E4   -3.7206826E1  -2.30180423E0  7.15635935E-2 -5.76004044E-5    3
  2.41142458E-8 -4.1327708E-12  -3.17061678E4   3.80442932E1                   4
IC5D1Y4-3OJ             H   7O   2C   5     G     298.0    5000.0 1340.58      1
    1.0960995E1  2.80865095E-2 -1.17870351E-5  2.24767909E-9-1.59923742E-13    2
  -1.08718799E4  -2.38223568E1   3.76930312E0  4.19463886E-2 -1.78823452E-5    3
 2.85486022E-10 1.16927631E-12  -8.35668202E3   1.53633638E1                   4
IC5D2Y4-1OJ             H   7O   2C   5     G     298.0    5000.0 1343.97      1
   1.36828906E1  2.78077887E-2 -1.24025773E-5  2.46316128E-9-1.80269231E-13    2
  -1.29791788E4  -4.18605775E1    5.0473815E0  3.96460066E-2 -8.64888317E-6    3
 -8.31105535E-9 3.52852316E-12  -9.56673693E3   6.73731792E0                   4
IC5D1Y4-3OOH            H   8O   3C   5     G     298.0    5000.0 1369.83      1
    1.2777986E1  3.16520894E-2 -1.33683441E-5  2.55974856E-9-1.82633058E-13    2
  -2.94525896E4  -3.15777786E1   2.60705264E0  5.67778745E-2 -3.53357543E-5    3
  1.04315294E-8-1.10859374E-12  -2.63078655E4   2.21438902E1                   4
IC5D2Y4-1OOH            H   8O   3C   5     G     298.0    5000.0 1389.97      1
   1.32620385E1  3.10949813E-2 -1.31156269E-5   2.5089951E-9-1.78889858E-13    2
  -3.03046733E4  -3.38540519E1   1.07399255E0  6.52581803E-2 -4.90927566E-5    3
  1.95299406E-8-3.25929138E-12  -2.68477657E4   2.92579499E1                   4
IC5D2Y14                H   6O   2C   5     G     298.0    5000.0  1102.8      1
   1.06937266E1  2.32569347E-2 -9.18358259E-6  1.67610296E-9-1.15495181E-13    2
  -3.28512752E4  -2.23821618E1   2.73811615E0  4.90193004E-2 -4.07099065E-5    3
  1.89488072E-8-3.68518586E-12  -3.08715927E4   1.77095959E1                   4
NC5D124-5R              H   5C   5          G     300.0    5000.0  1399.0      1
   1.33964825E1  1.17782554E-2 -4.01970713E-6 6.23045129E-10-3.61029449E-14    2
   5.39142829E4  -4.46425477E1  3.27071362E-1  4.96606208E-2 -4.72787626E-5    3
  2.31750855E-8 -4.4770893E-12   5.77723151E4   2.30313267E1                   4
IC6D14                  H  10C   6          G     100.0    5000.0 1020.64      1
   1.33829125E1  2.83659724E-2 -1.07662234E-5  1.95746961E-9-1.36587716E-13    2
   2.68922976E3  -4.14516938E1  9.97407073E-1  5.59779456E-2 -2.05889045E-5    3
 -1.17171411E-8 8.13406124E-12   6.30749943E3   2.38942565E1                   4
I3C6D15                 H  10C   6          G     100.0    5000.0 1020.64      1
   1.33829125E1  2.83659724E-2 -1.07662234E-5  1.95746961E-9-1.36587716E-13    2
   3.23169981E3  -4.20968205E1  9.97407073E-1  5.59779456E-2 -2.05889045E-5    3
 -1.17171411E-8 8.13406124E-12   6.84996947E3   2.32491298E1                   4
I3C6D15-3               H   9C   6          G     100.0    5000.0  965.66      1
   1.28508122E1  2.59267282E-2 -8.99835995E-6  1.59787336E-9-1.12287728E-13    2
   1.31757373E4  -4.12567561E1   1.45430356E0  4.38196186E-2  8.74276553E-6    3
 -4.20861672E-8 1.93355455E-11   1.67435469E4   2.04034832E1                   4
C6Y2-1J                 H  11O   1C   6     G     300.0    5000.0  1396.0      1
   2.04383273E1  2.38253206E-2 -8.04100895E-6  1.23762461E-9-7.13843846E-14    2
   -2.1612865E4  -7.85857876E1   1.58756071E0  6.54827981E-2 -4.24834077E-5    3
  1.41708122E-8-2.01102258E-12   -1.4877471E4   2.34398097E1                   4
C2H5CO3                 H   5O   3C   3     G     300.0    5000.0  1000.0      1
   -8.4316063E0   4.7750685E-2  -2.0184867E-5   3.7543364E-9 -2.5770339E-13    2
   -2.1769566E4    8.2914917E1   -2.2556863E0   5.7826187E-2  -5.2041793E-5    3
   2.0459542E-8 -1.4303576E-12   -2.6306033E4    4.0830891E1                   4
C2H5CO3H                H   6O   3C   3     G     300.0    3000.0  1000.0      1
    -1.106824E1     5.63143E-2    -2.56204E-5    5.020074E-9  -3.577803E-13    2
    -3.972311E4     9.852999E1    -1.034449E0    5.468781E-2   -4.310281E-5    3
    1.259064E-8   1.006007E-12    -4.528159E4     3.672221E1                   4
IC6D13-5R               H   9C   6          G     300.0    5000.0  1382.0      1
   1.78725528E1  2.06681706E-2 -7.26966607E-6  1.14993259E-9-6.75901704E-14    2
   1.00441021E4  -7.13373645E1  -2.26644305E0  7.12231968E-2 -6.04960127E-5    3
  2.92882078E-8-6.19213446E-12   1.69429768E4   3.60837469E1                   4
DC5H9O-A                H   9O   1C   5     G     300.0    5000.0  1379.0      1
   1.68308524E1  1.98251371E-2 -6.70063133E-6  1.03289145E-9 -5.9656313E-14    2
  -1.19268862E4   -5.9750495E1   1.35587154E0  5.46495093E-2 -3.76262266E-5    3
  1.45513313E-8-2.60061264E-12  -6.35313399E3   2.39822087E1                   4
IC6D14-1                H   9C   6          G     100.0    5000.0  977.98      1
   1.31177447E1   2.6222176E-2 -9.50598522E-6  1.73911191E-9-1.24269096E-13    2
   2.15740612E4  -4.16380928E1   1.49763444E0  4.16465596E-2  1.60742705E-5    3
 -4.92623872E-8 2.14930641E-11   2.53821379E4    2.2012442E1                   4
I3C6D25                 H  10C   6          G     100.0    5000.0 2066.84      1
   2.01367276E1  2.52304781E-2 -1.14027891E-5  2.01769426E-9  -1.285287E-13    2
  -3.31895772E3  -8.68726947E1   1.96487117E0  5.04479533E-2 -2.24824144E-5    3
  3.26202938E-9 2.72337319E-15   6.31812987E3   1.91308839E1                   4
I3C6D15-4               H   9C   6          G     100.0    5000.0 1478.14      1
   1.11865869E1  2.82370678E-2 -1.04470518E-5  1.78734422E-9-1.16910144E-13    2
    2.8460967E4  -2.84949938E1    1.2205734E0  5.52060649E-2 -3.78148203E-5    3
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IC6D24                  H  10C   6          G     300.0    5000.0  1396.0      1
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I3C6D13                 H  10C   6          G     100.0    5000.0 1020.64      1
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XC6D13                  H  10C   6          G     300.0    5000.0  1398.0      1
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  3.22801939E-8-5.68831605E-12  -3.23082886E4   2.23933949E1                   4
C6H11O13-6              H  11O   1C   6     G     300.0    5000.0  1412.0      1
   1.94680493E1  2.55210612E-2 -8.62688975E-6  1.32887037E-9-7.66797753E-14    2
  -4.81321989E3  -7.66311153E1  -8.91473164E0   1.0196369E-1 -8.98069806E-5    3
  4.16194842E-8-7.90726101E-12   3.98946647E3   7.21850269E1                   4
C6H11O14-6              H  11O   1C   6     G     300.0    5000.0  1455.0      1
   1.82831468E1  2.54265745E-2 -8.27252851E-6  1.24123104E-9-7.03046026E-14    2
  -1.42189155E4  -7.02878825E1   -7.9573892E0  9.48182979E-2  -7.8417063E-5    3
   3.3401624E-8-5.71300514E-12  -6.14438945E3   6.74010274E1                   4
C6H11O15-6              H  11O   1C   6     G     300.0    5000.0  1444.0      1
   1.87856469E1  2.59182642E-2 -8.54662736E-6  1.29454658E-9-7.38246342E-14    2
  -1.67660029E4  -7.84552214E1  -8.55127448E0  9.68982478E-2 -7.91356086E-5    3
  3.32572439E-8-5.64175351E-12  -8.19710107E3   6.54971422E1                   4
C6H11O23-1              H  11O   1C   6     G     300.0    5000.0  1428.0      1
   2.09510264E1  2.32219824E-2 -7.70555586E-6  1.17228694E-9-6.70636135E-14    2
  -6.03992032E3  -8.35738798E1  -5.13154189E0  9.22153452E-2 -7.82747434E-5    3
  3.43355161E-8-6.10472117E-12   2.05390931E3   5.34065531E1                   4
C6H11O23-6              H  11O   1C   6     G     300.0    5000.0  1428.0      1
   2.09510264E1  2.32219824E-2 -7.70555586E-6  1.17228694E-9-6.70636135E-14    2
  -6.03992032E3  -8.35738798E1  -5.13154189E0  9.22153452E-2 -7.82747434E-5    3
  3.43355161E-8-6.10472117E-12   2.05390931E3   5.34065531E1                   4
C6H11O24-1              H  11O   1C   6     G     300.0    5000.0  1418.0      1
   1.97676292E1  2.48505263E-2 -8.30594789E-6  1.26961939E-9-7.28648539E-14    2
  -6.73736757E3  -7.87971461E1  -8.68977008E0  1.03478772E-1 -9.34870259E-5    3
  4.40221555E-8-8.39788057E-12   1.85486103E3   6.96436714E1                   4
C6H11O24-6              H  11O   1C   6     G     300.0    5000.0  1418.0      1
   1.97676292E1  2.48505263E-2 -8.30594789E-6  1.26961939E-9-7.28648539E-14    2
  -6.73736757E3  -7.87971461E1  -8.68977008E0  1.03478772E-1 -9.34870259E-5    3
  4.40221555E-8-8.39788057E-12   1.85486103E3   6.96436714E1                   4
C6H11O34-1              H  11O   1C   6     G     300.0    5000.0  1428.0      1
   2.09510264E1  2.32219824E-2 -7.70555586E-6  1.17228694E-9-6.70636135E-14    2
  -6.03992032E3  -8.35738798E1  -5.13154189E0  9.22153452E-2 -7.82747434E-5    3
  3.43355161E-8-6.10472117E-12   2.05390931E3   5.34065531E1                   4
C6Y3-6J                 H  11O   1C   6     G     300.0    5000.0  1428.0      1
     1.931453E1  2.40496101E-2 -7.97552707E-6  1.21393244E-9-6.95022464E-14    2
  -1.87204562E4  -7.10967648E1   3.08191049E0  5.18699421E-2 -1.89289729E-5    3
 -2.07583066E-9 1.95559842E-12  -1.22587662E4   1.93460685E1                   4
C6Y3-1J                 H  11O   1C   6     G     300.0    5000.0  1428.0      1
     1.931453E1  2.40496101E-2 -7.97552707E-6  1.21393244E-9-6.95022464E-14    2
  -1.87204562E4  -7.10967648E1   3.08191049E0  5.18699421E-2 -1.89289729E-5    3
 -2.07583066E-9 1.95559842E-12  -1.22587662E4   1.93460685E1                   4
C6Y2                    H  12O   1C   6     G     300.0    5000.0  1393.0      1
    1.9170258E1  2.71941021E-2   -9.146028E-6  1.40414058E-9-8.08375794E-14    2
  -4.34145169E4  -7.21896772E1   1.76029691E0  6.23600615E-2 -3.41443694E-5    3
   8.6912223E-9 -8.1530651E-13  -3.68465456E4   2.32382063E1                   4
NC7H16                  H  16C   7          G     300.0    5000.0  1395.0      1
   2.25012314E1  3.46122447E-2 -1.18043982E-5    1.828945E-9-1.05955678E-13    2
  -3.42943478E4  -9.33565656E1  -1.29241398E0   8.8020959E-2 -5.89244935E-5    3
   2.2108453E-8-3.82062624E-12  -2.57053655E4   3.54340878E1                   4
C7H15-1                 H  15C   7          G     300.0    5000.0  1395.0      1
   2.18654648E1  3.27099467E-2 -1.11707195E-5   1.7323078E-9-1.00418683E-13    2
  -9.15809161E3  -8.64578314E1 -9.05064926E-1  8.44203755E-2 -5.76612364E-5    3
  2.22197616E-8 -3.9322513E-12  -9.86691874E2   3.66040736E1                   4
C7H15-2                 H  15C   7          G     300.0    5000.0  1396.0      1
   2.14174224E1  3.28392073E-2 -1.11628188E-5  1.72585155E-9-9.98390142E-14    2
  -1.06387327E4  -8.35878703E1  1.77775885E-1  7.57183109E-2 -4.19506136E-5    3
  1.10550024E-8-1.15311754E-12    -2.590939E3   3.28967607E1                   4
C7H15-3                 H  15C   7          G     300.0    5000.0  1396.0      1
   2.14174224E1  3.28392073E-2 -1.11628188E-5  1.72585155E-9-9.98390142E-14    2
  -1.06387327E4  -8.35878703E1  1.77775885E-1  7.57183109E-2 -4.19506136E-5    3
  1.10550024E-8-1.15311754E-12    -2.590939E3   3.28967607E1                   4
C7H15-4                 H  15C   7          G     300.0    5000.0  1396.0      1
   2.14174224E1  3.28392073E-2 -1.11628188E-5  1.72585155E-9-9.98390142E-14    2
  -1.06387327E4  -8.42773519E1  1.77775885E-1  7.57183109E-2 -4.19506136E-5    3
  1.10550024E-8-1.15311754E-12    -2.590939E3   3.22072791E1                   4
C8H16-3                 H  16C   8          G     300.0    5000.0  1395.0      1
   2.35546537E1  3.61565347E-2 -1.23125868E-5  1.90568539E-9-1.10318482E-13    2
  -2.34767314E4  -9.59677728E1  -1.02872172E0  9.09886206E-2 -5.86882332E-5    3
  1.96698376E-8 -2.7202988E-12  -1.46304556E4   3.70613581E1                   4
C8H153-2                H  15C   8          G     100.0    5000.0 1261.54      1
   1.48088037E1  4.86605874E-2 -1.98557715E-5  3.61177112E-9-2.45861206E-13    2
  -2.85911522E3  -4.84295734E1 -1.50284189E-1  7.95610426E-2 -3.69415411E-5    3
  2.25366332E-9 2.08172037E-12   2.23059212E3   3.24283993E1                   4
C8H153-5                H  15C   8          G     100.0    5000.0 1115.81      1
   1.42211811E1  4.91717594E-2 -1.99941522E-5  3.68901327E-9-2.55813494E-13    2
  -2.36707356E3  -4.46103675E1 -2.52621331E-2   7.5314167E-2 -2.16257685E-5    3
 -1.53585778E-8 8.49790261E-12   2.36405659E3   3.26355895E1                   4
C8H152-4OOH             H  16O   2C   8     G     100.0    5000.0 1457.07      1
   1.92120244E1   5.4509193E-2 -2.33868007E-5  4.33850569E-9-2.97818566E-13    2
  -3.28455487E4  -6.48696201E1  -1.21169769E0  1.10577121E-1 -8.11066766E-5    3
  3.07476149E-8-4.82902016E-12  -2.68937907E4   4.13510831E1                   4
C8H152-4O               H  15O   1C   8     G     100.0    5000.0 1683.15      1
   2.15896973E1  4.24631953E-2 -1.68202434E-5  2.96864698E-9-1.96439136E-13    2
  -1.53773289E4  -8.09890109E1 -9.51575334E-1  9.60329326E-2 -6.45612828E-5    3
  2.18782192E-8-3.00512267E-12  -7.78932868E3   3.94958937E1                   4
C8H153-5OOH             H  16O   2C   8     G     100.0    5000.0 1547.18      1
    2.2445465E1   4.9071058E-2 -2.03100072E-5  3.69228152E-9-2.49954172E-13    2
  -3.41565972E4  -8.29379429E1  -1.52024793E0  1.11030567E-1 -8.03798986E-5    3
  2.95757939E-8-4.43230865E-12  -2.67407166E4   4.31423033E1                   4
C8H153-5O               H  15O   1C   8     G     100.0    5000.0 1151.65      1
    1.8146907E1  4.71751389E-2 -1.91333416E-5  3.51936799E-9-2.43269336E-13    2
  -1.34379582E4  -6.06377136E1 -8.07711186E-1  9.16680637E-2 -4.92871355E-5    3
  4.88339609E-9 2.95376371E-12  -7.65687517E3   3.96282042E1                   4
I3C8D1                  H  16C   8          G     300.0    5000.0  1397.0      1
    2.4365936E1  3.54524554E-2 -1.20663946E-5  1.86691099E-9-1.08046799E-13    2
  -2.34535319E4  -1.00846378E2  -1.31631579E0    9.516825E-2 -6.55723296E-5    3
  2.39111485E-8-3.63135525E-12  -1.44612053E4   3.72560596E1                   4
I3C8D1-3                H  15C   8          G     100.0    5000.0 1091.02      1
   1.37460408E1  4.92789764E-2 -1.95245744E-5  3.55710491E-9-2.45246997E-13    2
   -2.8007326E3  -4.27092969E1 -1.50661164E-2  7.55260465E-2 -2.23318801E-5    3
 -1.50624326E-8 8.68091164E-12   1.64259824E3   3.14809493E1                   4
I3C8D1-3O               H  15O   1C   8     G     100.0    5000.0 1628.03      1
   2.00332419E1  4.45768749E-2 -1.75156595E-5   3.0848721E-9-2.04343744E-13    2
  -1.62952976E4  -7.17441242E1 -8.88838327E-1   9.5981561E-2 -6.48778552E-5    3
  2.24793649E-8-3.18256043E-12  -9.48294689E3   3.93896149E1                   4
I2C8D3                  H  16C   8          G     300.0    5000.0  1396.0      1
    2.3609812E1  3.60633754E-2 -1.22698575E-5  1.89788444E-9-1.09817604E-13    2
    -2.436289E4   -9.7662071E1  -1.31168618E0  9.30412396E-2 -6.22768647E-5    3
  2.20311643E-8-3.25338073E-12  -1.55259854E4   3.67166317E1                   4
I2C8D3-2                H  15C   8          G     100.0    5000.0 1062.26      1
   1.34676054E1  4.93108044E-2 -1.94354468E-5  3.55030759E-9-2.45987838E-13    2
  -4.10142122E3  -4.13565339E1  1.20697745E-1  7.17770108E-2 -1.19143653E-5    3
 -2.57999948E-8 1.24581816E-11   3.02187942E2   3.12213717E1                   4
I2C8D2-4O               H  15O   1C   8     G     100.0    5000.0 1564.71      1
   1.87682975E1  4.69472293E-2 -1.92171519E-5  3.46949365E-9-2.33744813E-13    2
  -1.57464879E4  -6.56403459E1 -7.49698313E-1  9.68427208E-2 -6.70491647E-5    3
   2.3848992E-8-3.48985873E-12  -9.63848653E3   3.72609204E1                   4
I4C8D2                  H  16C   8          G     300.0    5000.0  1394.0      1
   2.36959224E1  3.60505995E-2 -1.22793583E-5  1.90085976E-9-1.10052608E-13    2
  -2.44032866E4  -9.75177558E1  -1.08214909E0  9.19006536E-2 -6.03620972E-5    3
  2.08101185E-8 -2.9870232E-12  -1.55331924E4   3.63786234E1                   4
I4C8D2-4                H  15C   8          G     100.0    5000.0 1146.12      1
   1.32039799E1  5.00986421E-2 -1.99879451E-5  3.62656438E-9-2.48178748E-13    2
  -4.18272437E3  -4.02829979E1  8.52138736E-3  7.59623591E-2 -2.74150884E-5    3
  -7.4223319E-9 5.51427756E-12   1.67997857E2   3.09618342E1                   4
I4C8D2-4O               H  15O   1C   8     G     100.0    5000.0 1621.73      1
   1.82484938E1  4.73375291E-2 -1.90302855E-5  3.39125185E-9-2.26231423E-13    2
  -1.70928458E4  -6.22027546E1 -6.34771317E-1  9.39126565E-2 -6.21089547E-5    3
  2.11000052E-8-2.95612028E-12  -1.09680711E4   3.80282147E1                   4
C7H13-1D3O              H  13O   1C   7     G     300.0    5000.0  1405.0      1
   2.36362297E1  2.86566622E-2 -9.68156652E-6  1.49063898E-9-8.59816717E-14    2
  -1.25477358E4  -9.38865071E1    1.8849173E0   7.8207718E-2 -5.19373704E-5    3
  1.74716051E-8-2.33845172E-12  -4.93120602E3   2.32701785E1                   4
C7H13-2D1O              H  13O   1C   7     G     300.0    5000.0  1682.0      1
   2.25346566E1  3.38849145E-2 -1.25817006E-5  2.06973927E-9-1.25159974E-13    2
  -1.06212929E4  -9.00210033E1   4.74467036E0  6.29167074E-2 -2.26721503E-5    3
 -1.27934393E-9 1.55440668E-12  -3.58119089E3   9.51197151E0                   4
C7H13-2D4O              H  13O   1C   7     G     300.0    5000.0  1403.0      1
    2.2862769E1  2.93050163E-2 -9.90285399E-6  1.52489778E-9-8.79638717E-14    2
  -1.34297115E4   -8.9910963E1   2.15301871E0  7.49102537E-2 -4.69158184E-5    3
  1.45519272E-8-1.73829151E-12  -6.01065377E3   2.22101397E1                   4
C7H13-3D5O              H  13O   1C   7     G     300.0    5000.0  1383.0      1
   2.37587144E1  2.98416387E-2 -1.03744412E-5  1.62830253E-9-9.51890868E-14    2
  -1.37595221E4  -9.57014283E1   1.75028772E0  7.70926066E-2 -5.04975725E-5    3
  1.88197225E-8-3.39505878E-12  -5.51553504E3   2.43467036E1                   4
C7H14OH-1J2             H  15O   1C   7     G     300.0    5000.0  1396.0      1
   2.38166116E1  3.29487814E-2 -1.12036524E-5  1.73236311E-9-1.00218147E-13    2
  -2.87585737E4  -9.19289933E1  8.31837939E-1  8.59845734E-2 -5.97610676E-5    3
  2.34501024E-8-4.18350725E-12  -2.06066527E4   3.19711932E1                   4
C7H14OH-2J1             H  15O   1C   7     G     300.0    5000.0  1402.0      1
   2.50087998E1  3.15305124E-2 -1.06261019E-5  1.63312194E-9-9.40751455E-14    2
   -2.9703372E4  -9.92651052E1  4.11692321E-1  9.37448915E-2 -7.37750597E-5    3
  3.24652413E-8-6.16821664E-12  -2.15547956E4   3.13402792E1                   4
C7H14OH-2J3             H  15O   1C   7     G     300.0    5000.0  1401.0      1
   2.41756177E1   3.2013317E-2 -1.07458095E-5  1.64715331E-9-9.47106929E-14    2
  -3.06675942E4  -9.43409275E1   5.5667843E-1  8.97263175E-2 -6.68254124E-5    3
  2.78497903E-8-5.08306978E-12  -2.26649703E4   3.17439939E1                   4
C7H14OH-3J2             H  15O   1C   7     G     300.0    5000.0  1401.0      1
   2.41756177E1   3.2013317E-2 -1.07458095E-5  1.64715331E-9-9.47106929E-14    2
  -3.06675942E4  -9.43409275E1   5.5667843E-1  8.97263175E-2 -6.68254124E-5    3
  2.78497903E-8-5.08306978E-12  -2.26649703E4   3.17439939E1                   4
C7H14OH-3J4             H  15O   1C   7     G     300.0    5000.0  1401.0      1
   2.41756177E1   3.2013317E-2 -1.07458095E-5  1.64715331E-9-9.47106929E-14    2
  -3.06675942E4  -9.43409275E1   5.5667843E-1  8.97263175E-2 -6.68254124E-5    3
  2.78497903E-8-5.08306978E-12  -2.26649703E4   3.17439939E1                   4
C7H14OH-4J3             H  15O   1C   7     G     300.0    5000.0  1401.0      1
   2.41756177E1   3.2013317E-2 -1.07458095E-5  1.64715331E-9-9.47106929E-14    2
  -3.06675942E4  -9.43409275E1   5.5667843E-1  8.97263175E-2 -6.68254124E-5    3
  2.78497903E-8-5.08306978E-12  -2.26649703E4   3.17439939E1                   4
C7H14OH-1O2-2           H  15O   3C   7     G     300.0    5000.0  1403.0      1
   2.96517284E1  3.27070176E-2 -1.11327901E-5  1.72285104E-9-9.97346708E-14    2
  -4.94471661E4  -1.19918351E2   4.7822229E-1  1.04434995E-1 -8.07250432E-5    3
  3.38638206E-8 -6.0971609E-12  -3.96610286E4    3.5564059E1                   4
C7H14OH-2O2-1           H  15O   3C   7     G     300.0    5000.0  1401.0      1
   2.87755285E1   3.3475029E-2 -1.14005874E-5  1.76476211E-9 -1.0217353E-13    2
  -4.91086451E4  -1.14704326E2   7.0597556E-2  1.05846861E-1 -8.45743942E-5    3
  3.73634092E-8-7.09865044E-12  -3.95796892E4   3.77890116E1                   4
C7H14OH-2O2-3           H  15O   3C   7     G     300.0    5000.0  1407.0      1
   2.91474754E1  3.26332166E-2 -1.09950902E-5  1.68957012E-9-9.73167191E-14    2
  -5.09594416E4  -1.17262246E2  5.19161139E-1  1.07546631E-1 -8.91852448E-5    3
  4.04212309E-8-7.71854096E-12  -4.17771517E4   3.37682123E1                   4
C7H14OH-3O2-2           H  15O   3C   7     G     300.0    5000.0  1407.0      1
   2.91474754E1  3.26332166E-2 -1.09950902E-5  1.68957012E-9-9.73167191E-14    2
  -5.09594416E4  -1.17262246E2  5.19161139E-1  1.07546631E-1 -8.91852448E-5    3
  4.04212309E-8-7.71854096E-12  -4.17771517E4   3.37682123E1                   4
C7H14OH-3O2-4           H  15O   3C   7     G     300.0    5000.0  1407.0      1
   2.91474754E1  3.26332166E-2 -1.09950902E-5  1.68957012E-9-9.73167191E-14    2
  -5.09594416E4  -1.17262246E2  5.19161139E-1  1.07546631E-1 -8.91852448E-5    3
  4.04212309E-8-7.71854096E-12  -4.17771517E4   3.37682123E1                   4
C7H14OH-4O2-3           H  15O   3C   7     G     300.0    5000.0  1407.0      1
   2.91474754E1  3.26332166E-2 -1.09950902E-5  1.68957012E-9-9.73167191E-14    2
  -5.09594416E4  -1.17262246E2  5.19161139E-1  1.07546631E-1 -8.91852448E-5    3
  4.04212309E-8-7.71854096E-12  -4.17771517E4   3.37682123E1                   4
C7H13OH1Q2-1            H  15O   3C   7     G     300.0    5000.0  1398.0      1
    3.0755582E1  3.18052498E-2 -1.09242908E-5  1.70104577E-9-9.89014823E-14    2
  -4.50090811E4  -1.25833293E2   1.76100068E0  9.89032616E-2 -6.96596154E-5    3
  2.48261108E-8-3.55452254E-12  -3.49417542E4   3.00005056E1                   4
C7H13OH1Q2-3            H  15O   3C   7     G     300.0    5000.0  1393.0      1
    3.1099324E1  3.17007024E-2 -1.09329992E-5  1.70733123E-9-9.94750834E-14    2
  -4.37009262E4  -1.27073534E2   2.34972542E0  9.27540268E-2  -5.7047934E-5    3
  1.58315532E-8-1.42541805E-12  -3.32425977E4    2.9267569E1                   4
C7H13OH1Q2-4            H  15O   3C   7     G     300.0    5000.0  1410.0      1
   2.87250512E1  3.25386198E-2 -1.09605404E-5  1.68432383E-9-9.70279543E-14    2
  -4.25536515E4  -1.11863307E2   1.63779196E0  9.60973213E-2 -6.71030265E-5    3
  2.38100726E-8-3.37013272E-12  -3.32961896E4   3.33062394E1                   4
C7H13OH1Q2-5            H  15O   3C   7     G     300.0    5000.0  1410.0      1
   2.87250512E1  3.25386198E-2 -1.09605404E-5  1.68432383E-9-9.70279543E-14    2
  -4.25536515E4  -1.11863307E2   1.63779196E0  9.60973213E-2 -6.71030265E-5    3
  2.38100726E-8-3.37013272E-12  -3.32961896E4   3.33062394E1                   4
C7H13OH1Q2-6            H  15O   3C   7     G     300.0    5000.0  1410.0      1
   2.87250512E1  3.25386198E-2 -1.09605404E-5  1.68432383E-9-9.70279543E-14    2
  -4.25536515E4  -1.11863307E2   1.63779196E0  9.60973213E-2 -6.71030265E-5    3
  2.38100726E-8-3.37013272E-12  -3.32961896E4   3.33062394E1                   4
C7H13OH2Q1-2            H  15O   3C   7     G     300.0    5000.0  1399.0      1
   2.94933898E1   3.2624427E-2 -1.11476183E-5  1.72947149E-9-1.00287957E-13    2
  -4.43638415E4  -1.18051236E2     1.081801E0   1.0264353E-1 -7.83608123E-5    3
  3.15234949E-8-5.21045732E-12  -3.48461057E4    3.3267171E1                   4
C7H13OH2Q1-3            H  15O   3C   7     G     300.0    5000.0  1400.0      1
   2.86335807E1  3.30778818E-2 -1.12418771E-5  1.73763605E-9-1.00495984E-13    2
  -4.17129257E4  -1.11335679E2   2.62644794E0   9.6299971E-2 -7.10092937E-5    3
  2.78252743E-8 -4.5112263E-12  -3.29034981E4   2.75016233E1                   4
C7H13OH2Q1-4            H  15O   3C   7     G     300.0    5000.0  1407.0      1
   2.84489868E1  3.29103936E-2 -1.11177613E-5  1.71177575E-9-9.87408966E-14    2
  -4.25306366E4  -1.10281952E2   1.25069733E0  9.66664602E-2 -6.75466186E-5    3
  2.40837923E-8-3.44440563E-12  -3.32076932E4   3.55406822E1                   4
C7H13OH1-1              H  14O   1C   7     G     300.0    5000.0  1401.0      1
   2.41939252E1  3.03008443E-2 -1.02458685E-5   1.5782969E-9-9.10645237E-14    2
  -4.02471281E4  -9.81401972E1  -1.32163575E0  9.50917387E-2  -7.4578118E-5    3
  3.10680985E-8-5.30287877E-12  -3.18937822E4    3.7070772E1                   4
C7H13OH1-2              H  14O   1C   7     G     300.0    5000.0  1360.0      1
   2.63894771E1  3.07190977E-2 -1.09060278E-5    1.735927E-9-1.02478356E-13    2
   -3.9705647E4  -1.12848911E2    3.0738218E0  6.95707648E-2 -2.81674735E-5    3
 6.25092953E-10 1.41694865E-12  -2.99167155E4   1.81361752E1                   4
C7H13OH2-1              H  14O   1C   7     G     300.0    5000.0  1407.0      1
   2.52125415E1   2.7889543E-2 -9.10587258E-6  1.37080732E-9-7.78649835E-14    2
  -4.29824728E4  -1.03401389E2  -1.20212594E0  9.33783309E-2 -7.07355756E-5    3
  2.74556294E-8-4.25715581E-12  -3.43667221E4   3.68201586E1                   4
C7H13OH1O1-2            H  14O   2C   7     G     300.0    5000.0  1410.0      1
   2.71498666E1  3.04793577E-2 -1.03439693E-5  1.59783508E-9-9.23864083E-14    2
  -5.74512888E4  -1.13427393E2  -2.24024225E0  1.01124964E-1 -7.46938704E-5    3
  2.79384844E-8-4.17194961E-12  -4.75884806E4   4.34654134E1                   4
C7H13OH1O2-3            H  14O   2C   7     G     300.0    5000.0  1422.0      1
   2.72359462E1  2.97431987E-2 -9.94929864E-6  1.52202673E-9 -8.7411467E-14    2
  -5.44373214E4  -1.14285656E2  -5.50898728E0  1.13821549E-1 -9.23249101E-5    3
  3.79280297E-8-6.18358919E-12  -4.40518192E4    5.8500009E1                   4
C7H13OH1O2-4            H  14O   2C   7     G     300.0    5000.0  1417.0      1
   2.59552749E1   3.1251025E-2 -1.04648684E-5  1.60175656E-9-9.20152828E-14    2
  -5.50416124E4  -1.08809907E2  -9.06535408E0  1.24906488E-1 -1.06934814E-4    3
  4.66785124E-8-8.08873506E-12  -4.42471869E4   7.47603215E1                   4
C7H13OH1O2-5            H  14O   2C   7     G     300.0    5000.0  1418.0      1
   2.53440022E1  3.21651554E-2 -1.07745122E-5  1.64956808E-9-9.47802974E-14    2
  -6.51440696E4  -1.06968501E2  -1.11759943E1  1.29611564E-1 -1.10823121E-4    3
  4.82166152E-8-8.32160318E-12  -5.38761256E4   8.45211328E1                   4
C7H13OH1O2-6            H  14O   2C   7     G     300.0    5000.0  1416.0      1
   2.58346035E1  3.24507654E-2 -1.09336896E-5  1.68067747E-9-9.68435582E-14    2
  -6.76363341E4  -1.14931278E2  -1.16591338E1  1.31366338E-1 -1.11342222E-4    3
  4.79275383E-8-8.19289088E-12  -5.59489107E4   8.20754995E1                   4
C7H13OH2O1-2            H  14O   2C   7     G     300.0    5000.0  1405.0      1
   2.56338925E1  3.18007865E-2 -1.08051448E-5  1.67021055E-9-9.66111175E-14    2
  -5.65088625E4  -1.05476167E2  -1.31775461E0  9.41186719E-2 -6.49613068E-5    3
  2.26458862E-8-3.14413822E-12  -4.71802136E4   3.93367942E1                   4
C7H13OH2O1-3            H  14O   2C   7     G     300.0    5000.0  1417.0      1
   2.59552749E1   3.1251025E-2 -1.04648684E-5  1.60175656E-9-9.20152828E-14    2
  -5.50416124E4  -1.08809907E2  -9.06535408E0  1.24906488E-1 -1.06934814E-4    3
  4.66785124E-8-8.08873506E-12  -4.42471869E4   7.47603215E1                   4
C7H13OH2O1-4            H  14O   2C   7     G     300.0    5000.0  1418.0      1
   2.53440022E1  3.21651554E-2 -1.07745122E-5  1.64956808E-9-9.47802974E-14    2
  -6.51440696E4  -1.06968501E2  -1.11759943E1  1.29611564E-1 -1.10823121E-4    3
  4.82166152E-8-8.32160318E-12  -5.38761256E4   8.45211328E1                   4
C7H13OH1Q2-3O2          H  15O   5C   7     G     300.0    5000.0  1403.0      1
   3.36499006E1  3.36200235E-2 -1.14619931E-5  1.77576556E-9-1.02878939E-13    2
  -6.23229795E4  -1.35323901E2   1.69831709E0  1.12559061E-1 -8.67125365E-5    3
  3.45892306E-8-5.59918871E-12  -5.17238096E4   3.46367947E1                   4
C7H13OH1Q2-4O2          H  15O   5C   7     G     300.0    5000.0  1403.0      1
   3.36499006E1  3.36200235E-2 -1.14619931E-5  1.77576556E-9-1.02878939E-13    2
  -6.23229795E4  -1.35323901E2   1.69831709E0  1.12559061E-1 -8.67125365E-5    3
  3.45892306E-8-5.59918871E-12  -5.17238096E4   3.46367947E1                   4
C7H13OH1Q2-5O2          H  15O   5C   7     G     300.0    5000.0  1403.0      1
   3.36499006E1  3.36200235E-2 -1.14619931E-5  1.77576556E-9-1.02878939E-13    2
  -6.23229795E4  -1.35323901E2   1.69831709E0  1.12559061E-1 -8.67125365E-5    3
  3.45892306E-8-5.59918871E-12  -5.17238096E4   3.46367947E1                   4
C7H13OH1Q2-6O2          H  15O   5C   7     G     300.0    5000.0  1403.0      1
   3.36499006E1  3.36200235E-2 -1.14619931E-5  1.77576556E-9-1.02878939E-13    2
  -6.23229795E4  -1.35323901E2   1.69831709E0  1.12559061E-1 -8.67125365E-5    3
  3.45892306E-8-5.59918871E-12  -5.17238096E4   3.46367947E1                   4
C7H13OH2Q1-3O2          H  15O   5C   7     G     300.0    5000.0  1400.0      1
   3.75127322E1  3.11379331E-2 -1.07900026E-5  1.69065545E-9-9.87426357E-14    2
  -6.41929505E4  -1.58169777E2   1.89638561E0  1.12030646E-1 -7.84501768E-5    3
   2.6206105E-8-3.29786349E-12  -5.18219276E4   3.35492847E1                   4
C7H13OH2Q1-4O2          H  15O   5C   7     G     300.0    5000.0  1400.0      1
   3.75127322E1  3.11379331E-2 -1.07900026E-5  1.69065545E-9-9.87426357E-14    2
  -6.41929505E4  -1.58169777E2   1.89638561E0  1.12030646E-1 -7.84501768E-5    3
   2.6206105E-8-3.29786349E-12  -5.18219276E4   3.35492847E1                   4
C7H123OH1Q2             H  14O   3C   7     G     300.0    5000.0  1403.0      1
   2.71480875E1  3.22290808E-2 -1.09543677E-5  1.69350124E-9 -9.7962293E-14    2
  -5.01454657E4  -1.04995413E2  2.95649623E-1  9.61119762E-2 -6.91240625E-5    3
  2.57933867E-8-3.92525477E-12  -4.09801175E4    3.8732375E1                   4
C7H124OH1Q2             H  14O   3C   7     G     300.0    5000.0  1406.0      1
    2.7775696E1  3.13980624E-2 -1.06014924E-5  1.63149711E-9-9.40709619E-14    2
   -5.1316498E4  -1.09316485E2  4.84642836E-1  1.00235631E-1 -7.79371234E-5    3
  3.18349519E-8 -5.2968331E-12  -4.23912257E4   3.53730854E1                   4
C7H125OH1Q2             H  14O   3C   7     G     300.0    5000.0  1405.0      1
   2.77699289E1  3.15062283E-2 -1.06613145E-5  1.64315388E-9-9.48427603E-14    2
  -5.13216338E4  -1.09340363E2  8.29844856E-1  9.85862583E-2 -7.53772072E-5    3
  3.02876944E-8 -4.9712483E-12  -4.24153874E4   3.38123685E1                   4
C7H122OH2Q1             H  14O   3C   7     G     300.0    5000.0  1409.0      1
   2.72804805E1   3.0389775E-2 -9.94899154E-6  1.49877199E-9-8.51193983E-14    2
  -5.28551455E4  -1.05684309E2  -1.59041551E0  1.12580472E-1 -1.00802684E-4    3
  4.70635323E-8  -8.717333E-12  -4.43570616E4    4.4046513E1                   4
C7H123OH2Q1             H  14O   3C   7     G     300.0    5000.0  1402.0      1
   2.75907274E1  3.17236565E-2 -1.07510205E-5  1.65870976E-9 -9.5812082E-14    2
  -5.13361245E4  -1.08303434E2  3.26180775E-1  9.96377438E-2 -7.64583921E-5    3
  3.08962275E-8-5.10893798E-12  -4.23085732E4   3.65926716E1                   4
C7H124OH2Q1             H  14O   3C   7     G     300.0    5000.0  1403.0      1
   2.75961289E1  3.16303445E-2 -1.06996016E-5  1.64871117E-9-9.51510128E-14    2
  -5.13384084E4  -1.08292988E2  3.73901568E-2  1.00988014E-1 -7.85450399E-5    3
  3.21558425E-8-5.37401179E-12  -4.22915779E4    3.7902543E1                   4
C7H13OH1KET2-3          H  14O   4C   7     G     300.0    5000.0  1381.0      1
   3.35647467E1  2.92657166E-2 -1.00370292E-5  1.56311278E-9-9.09457469E-14    2
  -7.88538723E4  -1.37867666E2    1.6187609E0  1.03909457E-1 -7.65707336E-5    3
  2.85509034E-8-4.30466508E-12  -6.78106314E4   3.36202551E1                   4
C7H13OH1KET2-4          H  14O   4C   7     G     300.0    5000.0  1383.0      1
   3.07694772E1  3.07334099E-2 -1.03383424E-5  1.58845554E-9-9.15331124E-14    2
  -7.91246014E4  -1.22666205E2   5.64534476E0  8.43682609E-2 -5.13314151E-5    3
  1.44904381E-8  -1.396757E-12  -7.00050143E4   1.38757138E1                   4
C7H13OH1KET2-5          H  14O   4C   7     G     300.0    5000.0  1383.0      1
   3.07694772E1  3.07334099E-2 -1.03383424E-5  1.58845554E-9-9.15331124E-14    2
  -7.91246014E4  -1.22666205E2   5.64534476E0  8.43682609E-2 -5.13314151E-5    3
  1.44904381E-8  -1.396757E-12  -7.00050143E4   1.38757138E1                   4
C7H13OH2KET1-3          H  14O   4C   7     G     300.0    5000.0  1394.0      1
   3.29172544E1   3.0526486E-2 -1.06079569E-5  1.66478322E-9-9.73245021E-14    2
  -7.87716619E4  -1.35725113E2   1.18479292E0  1.05040969E-1 -7.73280285E-5    3
  2.87863418E-8 -4.3228939E-12  -6.78460871E4   3.44685141E1                   4
C7H13OH2KET1-4          H  14O   4C   7     G     300.0    5000.0  1394.0      1
   3.29172544E1   3.0526486E-2 -1.06079569E-5  1.66478322E-9-9.73245021E-14    2
  -7.87716619E4  -1.35725113E2   1.18479292E0  1.05040969E-1 -7.73280285E-5    3
  2.87863418E-8 -4.3228939E-12  -6.78460871E4   3.44685141E1                   4
C7H131-1O2              H  13O   2C   7     G     300.0    5000.0  1395.0      1
   2.63444194E1  2.92843591E-2 -1.00747577E-5  1.57031547E-9-9.13586585E-14    2
  -1.35157062E4  -1.05568671E2   1.05580212E0  8.84663765E-2 -6.32862862E-5    3
  2.34864358E-8-3.58087943E-12  -4.73394271E3   3.02256985E1                   4
C7H131-2O2              H  13O   2C   7     G     300.0    5000.0  1406.0      1
   2.39171155E1   2.9634086E-2 -9.82387808E-6  1.49300186E-9-8.53293423E-14    2
  -1.49892378E4  -8.99084832E1   1.00791733E0  8.74693034E-2 -6.63582494E-5    3
  2.67953692E-8-4.42896327E-12  -7.51292791E3   3.15137435E1                   4
C7H131-3O2              H  13O   2C   7     G     300.0    5000.0  1399.0      1
   2.46967631E1  3.02602092E-2 -1.03168261E-5  1.59818506E-9-9.25780147E-14    2
  -1.30302569E4  -9.53064671E1   1.42478025E0  8.37287199E-2 -5.70497262E-5    3
  2.01109499E-8-2.90013839E-12  -4.86330744E3   2.99867708E1                   4
C7H131-4O2              H  13O   2C   7     G     300.0    5000.0  1403.0      1
   2.53062249E1  2.94661467E-2 -9.98117986E-6  1.53931536E-9-8.88865456E-14    2
  -1.41991209E4  -9.95348659E1   1.68225879E0  8.75305452E-2 -6.53930444E-5    3
  2.58829752E-8-4.21734519E-12  -6.28417339E3   2.63146284E1                   4
C7H131-5O2              H  13O   2C   7     G     300.0    5000.0  1403.0      1
   2.53062249E1  2.94661467E-2 -9.98117986E-6  1.53931536E-9-8.88865456E-14    2
  -1.41991209E4  -9.95348659E1   1.68225879E0  8.75305452E-2 -6.53930444E-5    3
  2.58829752E-8-4.21734519E-12  -6.28417339E3   2.63146284E1                   4
C7H131-6O2              H  13O   2C   7     G     300.0    5000.0  1403.0      1
   2.53062249E1  2.94661467E-2 -9.98117986E-6  1.53931536E-9-8.88865456E-14    2
  -1.41991209E4  -9.95348659E1   1.68225879E0  8.75305452E-2 -6.53930444E-5    3
  2.58829752E-8-4.21734519E-12  -6.28417339E3   2.63146284E1                   4
C7H131-7O2              H  13O   2C   7     G     300.0    5000.0  1395.0      1
   2.49936071E1  3.02530836E-2 -1.03679025E-5    1.611681E-9-9.35857066E-14    2
  -1.23881079E4  -9.73522706E1   1.25192272E0  8.55356555E-2 -5.99996071E-5    3
  2.21165194E-8-3.38312686E-12  -4.08465278E3   3.02855528E1                   4
C7H121OOH3-1            H  13O   2C   7     G     300.0    5000.0  1399.0      1
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  4.77308772E-9 8.96465208E-13  -1.77204898E4   2.18719365E1                   4
C7H121KET47O            H  11O   2C   7     G     300.0    5000.0  1672.0      1
   2.38333934E1  2.93698451E-2 -1.08064387E-5  1.76772886E-9-1.06502916E-13    2
  -2.32650627E4  -9.35500101E1   1.47275488E0  7.61706947E-2 -4.36956726E-5    3
  1.03746852E-8-6.40936803E-13  -1.54718865E4   2.77608532E1                   4
C7H121KET53O            H  11O   2C   7     G     300.0    5000.0  1426.0      1
   2.45616321E1   2.5146683E-2 -8.45704044E-6  1.29998386E-9-7.49585118E-14    2
  -2.67941046E4  -9.67735742E1   4.96365528E0   5.8262166E-2 -2.08857867E-5    3
 -2.98108305E-9 2.35859127E-12  -1.89481233E4   1.25956448E1                   4
C7H121KET54O            H  11O   2C   7     G     300.0    5000.0  1388.0      1
   2.42293826E1  2.61468144E-2 -8.93860198E-6  1.38768889E-9-8.05214007E-14    2
  -2.58114377E4  -9.36394206E1   4.18144891E0  6.60892701E-2 -3.56362717E-5    3
  7.48028331E-9-1.47814583E-13  -1.82473897E4   1.63286024E1                   4
C7H121KET56O            H  11O   2C   7     G     300.0    5000.0  1388.0      1
   2.42293826E1  2.61468144E-2 -8.93860198E-6  1.38768889E-9-8.05214007E-14    2
  -2.58114377E4  -9.36394206E1   4.18144891E0  6.60892701E-2 -3.56362717E-5    3
  7.48028331E-9-1.47814583E-13  -1.82473897E4   1.63286024E1                   4
C7H121KET57O            H  11O   2C   7     G     300.0    5000.0  1322.0      1
   2.41189736E1  2.49420956E-2 -8.25959341E-6  1.25605807E-9-7.18735762E-14    2
  -2.43524422E4  -9.26826212E1   5.12508731E0   5.9350155E-2 -2.48464795E-5    3
 5.88918784E-11 1.65057755E-12  -1.70122732E4   1.24381526E1                   4
C7H121KET63O            H  11O   2C   7     G     300.0    5000.0  1456.0      1
    2.3772725E1  2.52160927E-2  -8.3371769E-6  1.26545987E-9-7.22827577E-14    2
  -2.58537711E4  -9.04360278E1   4.52100039E0  6.67225655E-2 -3.97698323E-5    3
   1.0632399E-8-8.41892866E-13  -1.89953768E4   1.38943627E1                   4
C7H121KET64O            H  11O   2C   7     G     300.0    5000.0  1462.0      1
   2.38213359E1  2.50588987E-2 -8.25918275E-6  1.25095005E-9-7.13476058E-14    2
  -2.58748208E4  -9.06717573E1   4.23691343E0  6.80349994E-2 -4.17660083E-5    3
  1.18146655E-8-1.08667773E-12  -1.89787581E4   1.51853376E1                   4
C7H121KET65O            H  11O   2C   7     G     300.0    5000.0  1382.0      1
   2.50833279E1  2.60857514E-2 -9.06319628E-6  1.42221081E-9 -8.3138551E-14    2
  -2.63215922E4   -9.8538728E1   3.40519818E0  6.88724188E-2  -3.7387164E-5    3
  7.82450492E-9-1.53192248E-13  -1.80695017E4   2.05700906E1                   4
C7H121KET67O            H  11O   2C   7     G     300.0    5000.0  1669.0      1
   2.18497895E1  2.98067299E-2 -1.06801486E-5   1.7189242E-9 -1.0247514E-13    2
  -2.22539202E4   -7.9409361E1   5.95901324E0  5.83462279E-2 -2.46358232E-5    3
  1.75634353E-9 7.94350056E-13  -1.62497843E4   8.50696509E0                   4
C7H121KET74O            H  11O   2C   7     G     300.0    5000.0  1413.0      1
   2.52349697E1   2.4915576E-2 -8.43412749E-6  1.30091904E-9-7.51529751E-14    2
  -2.29411721E4  -9.93376146E1   3.62977778E0  7.08650393E-2 -4.26267763E-5    3
  1.12153042E-8-8.33618261E-13   -1.5155421E4   1.80149409E1                   4
C7H121KET76O            H  11O   2C   7     G     300.0    5000.0  1381.0      1
   2.63106338E1  2.53608012E-2 -8.88497688E-6  1.40200372E-9-8.22739874E-14    2
  -2.31248891E4  -1.05636353E2   2.59611214E0  7.35558292E-2   -4.282701E-5    3
   1.0494607E-8-6.47982582E-13  -1.42339817E4   2.41738616E1                   4
C7H121-3                H  12C   7          G     300.0    5000.0  1403.0      1
   2.08823245E1  2.65357432E-2 -8.99371014E-6  1.38758967E-9-8.01488874E-14    2
  -5.77101042E3  -8.40624583E1  -2.76037693E0   8.7380551E-2 -7.01961972E-5    3
  2.97523646E-8-5.13499948E-12   1.87644921E3   4.09167241E1                   4
C7H121-4                H  12C   7          G     300.0    5000.0  1395.0      1
   1.88470935E1  2.83918052E-2 -9.66135693E-6  1.49459481E-9-8.64903683E-14    2
   -2.9388629E3  -7.12564391E1 -6.27652501E-1  7.27185243E-2 -4.83863807E-5    3
  1.70232958E-8-2.50448189E-12   3.99323725E3   3.38348286E1                   4
C7H121-5                H  12C   7          G     300.0    5000.0  1395.0      1
   1.87590389E1  2.84142054E-2 -9.65723983E-6  1.49269801E-9-8.63285164E-14    2
  -3.39433235E3  -7.07207075E1 -1.14989839E-1  7.11445322E-2 -4.67658446E-5    3
  1.62839834E-8-2.37689827E-12   3.35389642E3   3.12217996E1                   4
C7H121-6                H  12C   7          G     300.0    5000.0  1397.0      1
   1.94957163E1  2.77768519E-2 -9.43504345E-6  1.45778987E-9-8.42874269E-14    2
  -2.48558032E3  -7.44631336E1 -3.88967983E-1  7.45410522E-2 -5.20499687E-5    3
  1.93986283E-8-3.02252994E-12   4.43264958E3   3.22907933E1                   4
CVCCVCCOJCC             H  11O   1C   7     G     300.0    5000.0  1413.0      1
    2.3632627E1  2.39342086E-2 -8.04165403E-6  1.23360565E-9-7.09752159E-14    2
    8.0280635E0  -9.50788573E1   -2.897661E-1  8.58511848E-2 -6.98336524E-5    3
  2.93030054E-8-4.93318698E-12   7.61204483E3   3.10883485E1                   4
CVCCJCVCCC              H  11C   7          G     300.0    5000.0  1397.0      1
   1.85239492E1  2.65421486E-2 -9.02365398E-6  1.39512811E-9-8.07029589E-14    2
   1.40243938E4  -6.94120127E1  -1.11817293E0  7.27468471E-2 -5.10533742E-5    3
  1.90197617E-8-2.95086141E-12   2.08465302E4    3.6018375E1                   4
CVCCOJCVCCC             H  11O   1C   7     G     300.0    5000.0  1515.0      1
   2.97452982E1  2.11867919E-2 -7.64804639E-6  1.23094785E-9-7.32329779E-14    2
   -1.1498873E3  -1.33827556E2   2.46087929E0  7.05103057E-2 -3.26072443E-5    3
  1.17674511E-9 1.83157811E-12   9.54253418E3   1.74534282E1                   4
CVCCJCCVCC              H  11C   7          G     300.0    5000.0  1397.0      1
   1.84368375E1  2.65638438E-2 -9.01932808E-6   1.3932033E-9-8.05396917E-14    2
   1.35683188E4  -6.88822559E1 -6.12543316E-1  7.12025541E-2 -4.94751199E-5    3
  1.83058848E-8-2.82878796E-12   2.02082921E4   3.34382282E1                   4
CVCCOJCCVCC             H  11O   1C   7     G     300.0    5000.0  1406.0      1
   2.13392717E1  2.58967813E-2 -8.71961449E-6  1.33935211E-9 -7.7123723E-14    2
   2.49609917E3  -8.06636209E1    2.4833281E0  6.92815164E-2 -4.63308138E-5    3
  1.59194775E-8-2.20524149E-12   9.06545199E3   2.07613663E1                   4
CVCCJCCCVC              H  11C   7          G     300.0    5000.0  1399.0      1
   1.91745156E1  2.59260882E-2 -8.79711026E-6  1.35830541E-9-7.84997912E-14    2
   1.44763599E4  -7.26310133E1 -8.81361236E-1  7.45748162E-2 -5.47207462E-5    3
  2.13962499E-8-3.46908723E-12   2.12862902E4   3.44835464E1                   4
CVCCOJCCCVC             H  11O   1C   7     G     300.0    5000.0  1408.0      1
   2.21205768E1  2.52410885E-2 -8.49571077E-6  1.30468109E-9 -7.5117517E-14    2
   3.37449399E3  -8.46901901E1   2.21205146E0  7.25922821E-2 -5.13593164E-5    3
  1.88371935E-8-2.80403894E-12   1.01453199E4   2.18308213E1                   4
C5D2Y1-1R               H   7O   1C   5     G     300.0    5000.0  1390.0      1
   1.58396423E1  1.66571765E-2 -5.74155776E-6 8.96152306E-10-5.21898413E-14    2
  -5.43955462E3  -5.57243534E1  7.67163837E-1  5.23888982E-2 -3.85650887E-5    3
  1.48263722E-8-2.35263797E-12  -2.36668558E2   2.50746199E1                   4
C4Y1-3OR                H   7O   2C   4     G     300.0    5000.0  1417.0      1
   1.64998473E1  1.58390093E-2 -5.41015815E-6 8.39905247E-10-4.87505919E-14    2
  -2.64255263E4  -5.83764957E1   4.01589124E0  3.61077425E-2 -1.13014099E-5    3
 -3.57760345E-9 1.97543469E-12  -2.13575497E4   1.15538433E1                   4
C6D2Y1                  H  10O   1C   6     G     300.0    5000.0  1392.0      1
   1.95305471E1  2.32320952E-2  -7.9972199E-6  1.24699364E-9  -7.256875E-14    2
  -2.85719761E4  -7.57135584E1 -2.69585026E-1  6.98099901E-2 -5.04217305E-5    3
  1.90982509E-8-2.99716926E-12  -2.16923258E4   3.05709242E1                   4
C6D2Y1-1R               H   9O   1C   6     G     300.0    5000.0  1392.0      1
   1.91108039E1  2.11064142E-2  -7.2783819E-6  1.13627682E-9 -6.6181888E-14    2
  -9.60886866E3  -7.17888495E1  5.03660007E-1  6.50190464E-2 -4.73912739E-5    3
  1.80513164E-8-2.84079598E-12   -3.1639955E3   2.80316159E1                   4
C7H14-1                 H  14C   7          G     300.0    5000.0  1396.0      1
   2.09738042E1  3.12079131E-2 -1.06225093E-5  1.64360171E-9-9.51267104E-14    2
  -1.83831368E4  -8.34225904E1 -7.07919938E-1  8.01443405E-2 -5.26749528E-5    3
  1.80746253E-8-2.56560424E-12  -1.06454394E4   3.36888891E1                   4
C7H14-2                 H  14C   7          G     300.0    5000.0  1393.0      1
   2.02991745E1  3.18135847E-2 -1.08388346E-5   1.6781523E-9-9.71705999E-14    2
  -1.93318417E4   -8.0074458E1 -4.75911001E-1  7.68831975E-2  -4.7479071E-5    3
  1.49871562E-8-1.92520522E-12  -1.17169681E4   3.28173159E1                   4
C7H14-3                 H  14C   7          G     300.0    5000.0  1395.0      1
   2.02174775E1  3.18191128E-2 -1.08260914E-5  1.67459604E-9-9.68988205E-14    2
  -1.92924464E4  -7.95527452E1 -7.02630447E-1  7.80137436E-2 -4.93737481E-5    3
  1.61909913E-8-2.18681484E-12  -1.17103007E4   3.38309951E1                   4
C7H131-1                H  13C   7          G     300.0    5000.0  1397.0      1
   2.09731327E1  2.85570292E-2 -9.68593723E-6  1.49515792E-9-8.63938744E-14    2
   1.13885024E4  -8.15808867E1  9.16974437E-2  7.75111497E-2 -5.39226473E-5    3
  1.98619992E-8-3.04018663E-12   1.86470469E4   3.05424751E1                   4
C7H131-2                H  13C   7          G     300.0    5000.0  1392.0      1
   2.07210195E1  2.93000533E-2 -1.00572899E-5  1.56495221E-9-9.09316545E-14    2
   9.48139749E3  -8.05422565E1  9.31631366E-2  7.58236977E-2 -5.04652141E-5    3
  1.77697714E-8-2.63303531E-12   1.68983297E4   3.09767366E1                   4
C7H131-3                H  13C   7          G     300.0    5000.0  1398.0      1
   2.06581441E1  2.93506828E-2 -9.98196067E-6  1.54366939E-9-8.93114107E-14    2
  -1.42240286E3  -8.16202387E1    -1.224439E0  8.03086777E-2 -5.55537745E-5    3
  2.02046358E-8-3.04174034E-12   6.21118123E3   3.59883066E1                   4
C7H131-4                H  13C   7          G     300.0    5000.0  1399.0      1
   1.98118252E1   2.9477325E-2 -9.99013054E-6  1.54136564E-9-8.90361615E-14    2
   5.32587583E3  -7.38464435E1  7.53497124E-1  6.84664298E-2 -3.78594336E-5    3
  9.26276396E-9-6.33051595E-13   1.24588732E4   3.04035584E1                   4
C7H131-5                H  13C   7          G     300.0    5000.0  1399.0      1
   1.98118252E1   2.9477325E-2 -9.99013054E-6  1.54136564E-9-8.90361615E-14    2
   5.32587583E3  -7.38464435E1  7.53497124E-1  6.84664298E-2 -3.78594336E-5    3
  9.26276396E-9-6.33051595E-13   1.24588732E4   3.04035584E1                   4
C7H131-6                H  13C   7          G     300.0    5000.0  1399.0      1
   1.98118252E1   2.9477325E-2 -9.99013054E-6  1.54136564E-9-8.90361615E-14    2
   5.32587583E3  -7.38464435E1  7.53497124E-1  6.84664298E-2 -3.78594336E-5    3
  9.26276396E-9-6.33051595E-13   1.24588732E4   3.04035584E1                   4
C7H131-7                H  13C   7          G     300.0    5000.0  1396.0      1
   2.03501573E1  2.92864422E-2 -9.98040298E-6  1.54547204E-9-8.94960254E-14    2
   6.74920505E3  -7.72841965E1 -2.91900235E-1  7.64317841E-2  -5.1254872E-5    3
  1.80940475E-8-2.65879991E-12   1.40684507E4   3.40281977E1                   4
C7H132-4                H  13C   7          G     300.0    5000.0  1389.0      1
   2.02204603E1  2.98619421E-2 -1.01919239E-5  1.58015892E-9-9.15931884E-14    2
  -2.51503987E3  -8.14608162E1   -6.886849E-1  7.50330278E-2 -4.76785604E-5    3
  1.65274591E-8-2.66150078E-12   5.18680295E3    3.2303513E1                   4
C7H132-5                H  13C   7          G     300.0    5000.0  1391.0      1
   1.90854765E1  3.01791168E-2 -1.02513232E-5  1.58415277E-9-9.16099642E-14    2
   4.32145444E3  -7.06099753E1   1.65052849E0  6.23077727E-2 -2.90992514E-5    3
  4.78094447E-9 7.09479211E-14   1.12388159E4   2.61034863E1                   4
C7H132-6                H  13C   7          G     300.0    5000.0  1391.0      1
   1.90854765E1  3.01791168E-2 -1.02513232E-5  1.58415277E-9-9.16099642E-14    2
   4.32145444E3  -7.06099753E1   1.65052849E0  6.23077727E-2 -2.90992514E-5    3
  4.78094447E-9 7.09479211E-14   1.12388159E4   2.61034863E1                   4
C7H132-7                H  13C   7          G     300.0    5000.0  1390.0      1
   1.99821175E1  2.96591221E-2 -1.01244293E-5  1.56973641E-9-9.09863758E-14    2
   5.58211221E3  -7.61515796E1  2.37676296E-2  7.31827708E-2 -4.71406535E-5    3
  1.69769397E-8-2.87650045E-12   1.29272856E4   3.23567905E1                   4
C7H133-1                H  13C   7          G     300.0    5000.0  1389.0      1
   1.97137107E1  2.97943652E-2 -1.01517896E-5  1.57209319E-9  -9.104911E-14    2
   5.67008996E3  -7.47603526E1 -4.08828699E-1  7.36000277E-2 -4.72163227E-5    3
  1.68606653E-8-2.82724069E-12    1.3073821E4   3.46511055E1                   4
C7H133-5                H  13C   7          G     300.0    5000.0  1388.0      1
   1.99813268E1  2.99618307E-2 -1.02051724E-5  1.58014428E-9-9.15119629E-14    2
  -2.43710645E3  -8.02326426E1  -1.12440527E0  7.55087533E-2 -4.78430089E-5    3
  1.64592759E-8-2.62140705E-12   5.33236452E3    3.4601734E1                   4
C7H133-6                H  13C   7          G     300.0    5000.0  1388.0      1
   1.88327779E1  3.03047716E-2 -1.02765174E-5  1.58631403E-9-9.16678097E-14    2
   4.39834768E3  -6.93182766E1   1.22009826E0   6.2714948E-2 -2.91792232E-5    3
  4.70089851E-9 1.01165918E-13    1.1385131E4    2.8388381E1                   4
C7H133-7                H  13C   7          G     300.0    5000.0  1389.0      1
   1.97137107E1  2.97943652E-2 -1.01517896E-5  1.57209319E-9  -9.104911E-14    2
   5.67008996E3  -7.47603526E1 -4.08828699E-1  7.36000277E-2 -4.72163227E-5    3
  1.68606653E-8-2.82724069E-12    1.3073821E4   3.46511055E1                   4
H15DE25DM-AO            H  13O   1C   8     G     300.0    5000.0  1378.0      1
   2.50985951E1  3.15085628E-2 -1.10076915E-5  1.73332426E-9-1.01557468E-13    2
  -2.49465338E3  -1.01097942E2   3.03691957E0  7.50640438E-2 -4.17779534E-5    3
  1.07915725E-8-9.97734397E-13    6.1164978E3   2.04746031E1                   4
H15DE25DM-SO            H  13O   1C   8     G     300.0    5000.0  1388.0      1
   2.60152179E1  3.04295766E-2 -1.05676513E-5  1.65746547E-9-9.68470091E-14    2
   -4.7956852E3  -1.06442472E2  9.30464015E-1  8.71669873E-2 -5.99582593E-5    3
  2.15026041E-8-3.21687573E-12   4.19310073E3   2.90924508E1                   4
H15DE2M-T               H  11C   7          G     300.0    5000.0  1389.0      1
   1.90144729E1  2.61932198E-2 -9.01183878E-6  1.40455988E-9-8.17075251E-14    2
   2.35551101E4  -7.15568628E1  3.88856066E-1    6.702157E-2 -4.29671268E-5    3
  1.42489875E-8-1.96105571E-12   3.03627273E4   2.95444186E1                   4
IC4H7CHO                H   8O   1C   5     G     300.0    5000.0  1391.0      1
   1.59171638E1  1.93357284E-2 -6.70857943E-6  1.05155191E-9-6.14175906E-14    2
  -2.16140735E4  -5.67616631E1  -1.20982776E0  5.92603375E-2 -4.26960089E-5    3
  1.60356164E-8-2.49347521E-12  -1.56205327E4   3.53137305E1                   4
H15DE25DM               H  14C   8          G     300.0    5000.0  1395.0      1
   2.13213816E1  3.33893387E-2 -1.13593767E-5  1.75700952E-9-1.01665309E-13    2
  -8.58613758E3  -8.33300492E1  -1.64721229E0  8.59222044E-2  -5.7597311E-5    3
  2.04854866E-8-3.05297856E-12  -4.32261306E2   4.05309695E1                   4
H15DE25DM-S             H  13C   8          G     300.0    5000.0  1395.0      1
   2.21422958E1  3.06966055E-2  -1.0461738E-5  1.62037747E-9-9.38578511E-14    2
   6.56045671E3  -9.04059585E1  -2.04235551E0  8.66261688E-2 -5.99110976E-5    3
   2.1555163E-8-3.18976697E-12   1.50224279E4   3.96917763E1                   4
H15DE25DM-A             H  13C   8          G     300.0    5000.0  1391.0      1
   2.33282646E1  2.93694154E-2 -9.94258906E-6  1.53368063E-9-8.86030202E-14    2
   7.37319036E3  -9.55902415E1  -2.21863377E0  8.91652629E-2 -6.33360636E-5    3
  2.32007379E-8-3.46329567E-12   1.61971179E4    4.1511662E1                   4
L-C6H4                  H   4C   6          G     300.0    3000.0  1000.0      1
    1.2715182E1   1.3839662E-2   -4.376544E-6  3.1541636E-10  4.6619026E-14    2
    5.7031148E4     -3.94646E1   2.9590225E-1   5.8053318E-2  -6.7766756E-5    3
   4.3376762E-8 -1.1418864E-11    6.0001371E4     2.231897E1                   4
C-C6H4                  H   4C   6          G     300.0    3000.0  1000.0      1
    1.3849209E1    7.880792E-3   1.8243836E-6  -2.1169166E-9  3.7459977E-13    2
     4.744634E4   -5.0404953E1   -3.0991268E0   5.4030564E-2  -4.0839004E-5    3
   1.0738837E-8   9.807849E-13    5.2205711E4    3.7415207E1                   4
C6H3                    H   3C   6          G     300.0    3000.0  1000.0      1
    5.8188343E0   2.7933408E-2  -1.7825427E-5   5.3702536E-9 -6.1707627E-13    2
     8.518825E4  -9.2147827E-1    1.1790619E0    5.554736E-2  -7.3076168E-5    3
   5.2076736E-8 -1.5046964E-11    8.5647312E4    1.9179199E1                   4
C6H2                    H   2C   6          G     300.0    3000.0  1000.0      1
    1.3226281E1   7.3904302E-3  -2.2715381E-6  2.5875217E-10 -5.5356741E-15    2
    8.0565258E4   -4.1201176E1   -1.5932624E0   8.0530145E-2  -1.4800649E-4    3
   1.3300031E-7 -4.5332313E-11    8.3273227E4    2.7980873E1                   4
C6H5OO                  H   5O   2C   6     G     300.0    5000.0  1403.0      1
   1.67078262E1  1.62326229E-2  -5.4796963E-6  8.4351006E-10-4.86562431E-14    2
   8.14242915E3  -6.08346973E1  -2.99164672E0   7.0385715E-2 -6.34400574E-5    3
   2.9154892E-8-5.30706938E-12    1.4132024E4   4.20142955E1                   4
C6H5OOH                 H   6O   2C   6     G     300.0    5000.0  1404.0      1
   1.92317474E1  1.63154699E-2 -5.53448904E-6 8.55059974E-10 -4.9458379E-14    2
  -1.01971012E4  -7.61674471E1  -4.03105975E0  7.96101888E-2 -7.21655013E-5    3
  3.27610696E-8-5.85584239E-12  -3.10973017E3   4.54324978E1                   4
C6H6                    H   6C   6          G     200.0    6000.0  1000.0      1
   1.10809576E1  2.07176746E-2 -7.52145991E-6  1.22320984E-9-7.36091279E-14    2
   4.30641035E3   -4.0041331E1  5.04818632E-1  1.85020642E-2  7.38345881E-5    3
 -1.18135741E-7 5.07210429E-11   8.55247913E3   2.16412893E1                   4
FULVENE                 H   6C   6          G     200.0    5000.0  1000.0      1
    1.1103525E1   2.0600685E-2  -7.5302224E-6   1.2388695E-9 -7.5415976E-14    2
    2.0361843E4   -3.6665197E1  -7.1813191E-1   3.7934312E-2   1.1398837E-5    3
  -4.1333503E-8  1.8055927E-11    2.4223825E4    2.7855714E1                   4
C6H5                    H   5C   6          G     200.0    6000.0  1000.0      1
   1.08444762E1  1.73212473E-2 -6.29233249E-6  1.02369961E-9-6.16216828E-14    2
   3.55598475E4  -3.53735134E1  2.10306633E-1  2.04745507E-2  5.89743006E-5    3
 -1.01534255E-7  4.4710566E-11   3.95468722E4   2.52910455E1                   4
OC6H4OH                 H   5O   2C   6     G     300.0    5000.0  1403.0      1
    2.2271821E1  1.21038561E-2 -4.18429526E-6 6.54475399E-10-3.81746504E-14    2
  -2.34827539E4  -9.61035467E1  -8.02205657E0   1.0940321E-1 -1.23489276E-4    3
  6.56286805E-8 -1.3152787E-11  -1.55949156E4   5.72175202E1                   4
O-C6H4O2                H   4O   2C   6     G     270.0    3000.0  1370.0      1
   1.23614349E1  2.40491397E-2 -1.16529057E-5  2.71332785E-9-2.47593219E-13    2
  -1.67079717E4  -4.00310857E1  -2.36179712E0  6.86058343E-2 -6.39129516E-5    3
  3.06903009E-8-5.97357785E-12  -1.26704431E4   3.53724482E1                   4
P-C6H4O2                H   4O   2C   6     G     270.0    3000.0  1370.0      1
   1.23423732E1   2.4061269E-2 -1.16565184E-5  2.71393504E-9-2.47643065E-13    2
  -2.06185312E4  -4.08244024E1  -2.43170113E0  6.87937608E-2 -6.41382837E-5    3
  3.08126855E-8-5.99832072E-12  -1.65696994E4    3.4830943E1                   4
O-OC6H5OJ               H   5O   2C   6     G     300.0    5000.0  1400.0      1
   1.84625733E1  1.57607263E-2 -5.44671499E-6  8.5176576E-10-4.96759541E-14    2
  -1.72770226E2  -7.28742484E1  -2.65459198E0  7.17179095E-2 -6.31552372E-5    3
  2.81132946E-8-4.97463333E-12    6.4528315E3   3.81123139E1                   4
P-OC6H5OJ               H   5O   2C   6     G     300.0    5000.0  1400.0      1
    1.8279977E1  1.59280974E-2  -5.5076522E-6 8.61649836E-10-5.02677539E-14    2
  -6.25907994E1  -7.25809444E1   -3.2968329E0  7.27365977E-2  -6.3615822E-5    3
  2.80683553E-8-4.92279426E-12   6.73402222E3   4.09349895E1                   4
P-C6H3O2                H   3O   2C   6     G     270.0    3000.0  1290.0      1
   1.22963699E1  2.15055142E-2 -1.07516136E-5  2.57528163E-9-2.41023652E-13    2
   1.15428998E4  -3.72584002E1  -1.57852347E0  6.55376473E-2 -6.50308721E-5    3
  3.32026554E-8-6.86665555E-12   1.51750093E4   3.31518638E1                   4
C6H5OH                  H   6O   1C   6     G     300.0    5000.0  1000.0      1
    1.4912073E1   1.8378135E-2  -6.1983128E-6  9.1983221E-10 -4.9209565E-14    2
   -1.8375199E4   -5.5924103E1   -1.6956539E0   5.2271299E-2   -7.202405E-6    3
  -3.5859603E-8  2.0449073E-11   -1.3284121E4     3.254216E1                   4
C6H5O                   H   5O   1C   6     G     200.0    6000.0  1000.0      1
    1.3722172E1  1.74688771E-2  -6.3550452E-6  1.03492308E-9-6.23410504E-14    2
   2.87274751E2   -4.8818168E1 -4.66204455E-1  4.13443975E-2  1.32412991E-5    3
 -5.72872769E-8 2.89763707E-11   4.77858391E3   2.76990274E1                   4
C6H4OH                  H   5O   1C   6     G     300.0    5000.0  1402.0      1
    1.7318756E1  1.36366984E-2 -4.68316332E-6 7.29071204E-10-4.23805358E-14    2
   1.14990276E4  -6.89986593E1  -5.99875435E0  8.59063379E-2 -9.12525636E-5    3
   4.7227589E-8-9.35576749E-12   1.78621926E4   4.99931427E1                   4
CVCCJCVCOH              H   7O   1C   5     G     300.0    5000.0  1397.0      1
   1.67465815E1   1.5835724E-2 -5.44954706E-6 8.49881387E-10-4.94743246E-14    2
   -4.3097287E3  -6.19378748E1  -2.91175436E0  6.69362484E-2 -5.71603047E-5    3
  2.48753749E-8-4.33243894E-12   1.96441523E3   4.17454344E1                   4
CVCCVCCOH               H   8O   1C   5     G     300.0    5000.0  1396.0      1
    1.6307967E1  1.79957763E-2 -6.03115896E-6 9.23992259E-10-5.31254053E-14    2
  -1.58204603E4  -5.84137244E1 -5.31488384E-1  6.06983915E-2 -4.81499862E-5    3
  2.00308244E-8-3.38987282E-12  -1.03301302E4   3.07961436E1                   4
C5H5OH                  H   6O   1C   5     G     300.0    5000.0  1398.0      1
   1.53433477E1  1.50754059E-2 -5.13553582E-6 7.95807816E-10-4.61311517E-14    2
  -1.19645453E4   -5.8520443E1  -4.26822012E0  6.62446749E-2 -5.68494038E-5    3
  2.46858526E-8-4.26820696E-12  -5.75581338E3    4.4796285E1                   4
C5H5O                   H   5O   1C   5     G     300.0    5000.0  1681.0      1
   1.34710763E1  1.61066202E-2 -5.99692863E-6 9.88445351E-10-5.98578582E-14    2
   1.89094075E4   -4.8047025E1   5.0309767E-1  4.22205299E-2 -2.23092668E-5    3
  3.59238942E-9 2.90334475E-13   2.35030042E4   2.25958568E1                   4
C5H4OH                  H   5O   1C   5     G     200.0    6000.0  1000.0      1
   1.33741248E1  1.51996469E-2 -5.45685046E-6 8.80944866E-10-5.27493258E-14    2
   2.20358027E3  -4.59569069E1  -1.28398054E0  4.90298511E-2 -1.35844414E-5    3
 -2.92983743E-8 1.90820619E-11   6.37364803E3   3.08073591E1                   4
C5H4O                   H   4O   1C   5     G     200.0    6000.0  1000.0      1
   1.00806824E1  1.61143465E-2 -5.83314509E-6  9.4675932E-10-5.68972206E-14    2
   1.94364771E3  -2.94521623E1  2.64576497E-1  3.34873827E-2   1.6773847E-6    3
 -2.96207455E-8 1.54431476E-11   5.11159287E3   2.35409513E1                   4
C5H3O                   H   3O   1C   5     G     300.0    3500.0  1500.0      1
   1.19961781E1  1.34287065E-2 -5.90045309E-6  1.22553862E-9-9.86114716E-14    2
    2.8959201E4  -4.07548249E1  -3.03242604E0  5.43937201E-2 -4.95018348E-5    3
  2.25523751E-8 -4.1072792E-12   3.35644081E4   3.78374823E1                   4
CJVCCVCCVO              H   5O   1C   5     G     300.0    5000.0  1396.0      1
   1.62360823E1  1.18297101E-2 -4.11454219E-6 6.46026823E-10-3.77767639E-14    2
   1.93499885E4  -5.83498817E1 -5.06628841E-1  6.04671965E-2 -5.97396749E-5    3
  2.96804228E-8 -5.7624001E-12   2.42765544E4   2.82994148E1                   4
CVCCVCCJVO              H   5O   1C   5     G     300.0    5000.0  1399.0      1
   1.53178248E1  1.27352911E-2 -4.35882964E-6 6.76912763E-10-3.92771371E-14    2
   7.60582726E3  -5.43599625E1 -2.18492198E-1  5.92100223E-2 -5.89241174E-5    3
   2.9741192E-8 -5.8524477E-12   1.20600764E4    2.5596853E1                   4
CJVCCVO                 H   3O   1C   3     G     298.0    5000.0  1392.9      1
   6.96038839E0  1.18316209E-2 -4.97857869E-6 9.50633138E-10-6.76830879E-14    2
   1.83186165E4  -8.63569518E0   3.06807099E0  2.25920298E-2  -1.6177468E-5    3
  6.21074861E-9-1.01962872E-12   1.94380516E4    1.1574471E1                   4
HOCVCCVO                H   4O   2C   3     G     300.0    5000.0  1413.0      1
   1.66505478E1  6.11745137E-3 -2.09080785E-6 3.24985683E-10-1.88875073E-14    2
  -3.82179939E4  -6.36794754E1  -2.01837189E0  6.26539783E-2  -6.7335928E-5    3
  3.39430425E-8-6.48917648E-12  -3.31367523E4    3.1816286E1                   4
HOCVCCJVO               H   3O   2C   3     G     300.0    5000.0  1414.0      1
   1.52720985E1  5.02586331E-3 -1.68408578E-6 2.58390706E-10-1.48849424E-14    2
  -1.98506828E4  -5.54641734E1  6.07270082E-1  4.96011303E-2 -5.32300885E-5    3
  2.68392951E-8 -5.1309451E-12  -1.58814562E4   1.94817133E1                   4
OC5H7O                  H   7O   2C   5     G     300.0    5000.0  1375.0      1
   1.65416953E1  1.86677673E-2 -6.44836048E-6  1.00787611E-9-5.87521858E-14    2
  -2.82017168E4  -5.47258181E1   4.88394767E0    4.034013E-2  -1.9777415E-5    3
  3.68903501E-9-3.40202384E-14  -2.35295942E4   9.97070337E0                   4
OC4H6O                  H   6O   2C   4     G     300.0    5000.0  1382.0      1
   1.41894774E1   1.5334551E-2 -5.24594862E-6 8.14655154E-10-4.72759368E-14    2
  -4.10001835E4  -4.43771751E1   4.21628848E0  3.57422725E-2 -2.04226185E-5    3
  5.63821367E-9-5.88888993E-13  -3.72055911E4    1.0281462E1                   4
OC4H5O                  H   5O   2C   4     G     300.0    5000.0  1388.0      1
   1.32138775E1  1.37339051E-2 -4.62639517E-6  7.1094137E-10-4.09538499E-14    2
  -2.16535271E4  -3.64185255E1   4.60550978E0  3.30498712E-2 -2.13102363E-5    3
  7.37021089E-9-1.08289438E-12  -1.85460831E4   1.01599453E1                   4
O2CCHOOJ                H   1O   4C   2     G     300.0    5000.0  1682.0      1
   1.09910849E1  7.46985861E-3 -2.75568271E-6 4.51353051E-10-2.72108652E-14    2
  -3.51335323E4  -2.11652231E1   8.91497688E0  8.60571847E-3  5.24416766E-7    3
 -2.79301331E-9 7.62963051E-13  -3.40867754E4  -8.72978273E0                   4
C5H6                    H   6C   5          G     200.0    6000.0  1000.0      1
    9.9757848E0   1.8905543E-2  -6.8411461E-6    1.109934E-9 -6.6680236E-14    2
    1.1081693E4   -3.2209454E1   8.6108957E-1   1.4804031E-2   7.2108895E-5    3
  -1.1338055E-7  4.8689972E-11    1.4801755E4    2.1353453E1                   4
C5H5                    H   5C   5          G    298.15    3500.0  969.35      1
   1.33675715E0  3.24793912E-2 -1.67587774E-5  4.03514137E-9-3.70739036E-13    2
   3.00730524E4   1.60315806E1  -3.97555452E0  7.41370991E-2 -1.11803345E-4    3
  9.04628776E-8-2.80999747E-11   3.01769405E4   3.67153636E1                   4
C5H6-L                  H   6C   5          G     300.0    5000.0  1372.0      1
   1.29600892E1  1.48953758E-2 -5.23622902E-6 8.27916389E-10-4.86464523E-14    2
     2.381808E4  -4.25312093E1   3.58448213E0  3.24459626E-2 -1.70150991E-5    3
  4.22715914E-9-4.18452556E-13   2.76514681E4   9.60644208E0                   4
C#CCVCCJ                H   5C   5          G     300.0    5000.0  1396.0      1
   1.41230912E1   1.1423319E-2 -3.95851276E-6 6.20128961E-10-3.62097887E-14    2
   4.25158384E4  -5.02942871E1 -6.16143558E-1  5.06466579E-2 -4.48561743E-5    3
  2.02459419E-8-3.64542145E-12   4.71532377E4   2.71623299E1                   4
C5H7                    H   7C   5          G     300.0    5000.0  1377.0      1
   1.36630213E1  1.68061358E-2 -5.98746539E-6 9.55341072E-10-5.64951981E-14    2
   1.27238941E4  -5.46331286E1  -6.75118368E0  6.06461693E-2 -4.01260152E-5    3
  1.22051562E-8-1.33459844E-12   2.01365277E4   5.62694938E1                   4
BZCOOH                  H   8O   2C   7     G     300.0    5000.0  1388.0      1
   2.32849942E1  2.11249905E-2 -7.42176803E-6  1.17341778E-9-6.89572814E-14    2
  -1.39352842E4  -9.56328725E1  -3.90619768E0  8.82323518E-2 -7.17190897E-5    3
  2.95644635E-8 -4.9189893E-12  -4.87198921E3   4.90970451E1                   4
O-O2C6H4CH3             H   7O   2C   7     G     300.0    5000.0  1408.0      1
   2.12862164E1   1.9302068E-2  -6.4848544E-6  9.9514695E-10 -5.7282826E-14    2
   3.19865442E3  -8.60791351E1  -5.17635366E0  9.32722534E-2 -8.64517889E-5    3
  4.02042133E-8-7.33445923E-12   1.10698763E4   5.15568699E1                   4
OC6H4CH2                H   6O   1C   7     G     300.0    5000.0  1000.0      1
   1.24204756E1   2.7017183E-2 -1.09476851E-5  2.02705529E-9-1.40757462E-13    2
   4.49159466E2   -4.1023626E1 -6.21979546E-1  5.14918065E-2 -6.11682462E-6    3
 -2.88887155E-8 1.45119845E-11   4.44241036E3   2.88224802E1                   4
C6H5CH2OO               H   7O   2C   7     G     300.0    5000.0  1390.0      1
   2.20121613E1  2.02138197E-2 -7.13572689E-6  1.13165222E-9-6.66401341E-14    2
   4.29764154E3  -9.24408014E1  -4.38932246E0  8.51137624E-2 -6.89728872E-5    3
  2.82508845E-8-4.66501606E-12   1.31191261E4   4.81693011E1                   4
C6H5CH3                 H   8C   7          G     200.0    6000.0  1000.0      1
    1.2940034E1   2.6691287E-2  -9.6838505E-6   1.5738629E-9 -9.4663601E-14    2
   -6.9764908E2   -4.6728785E1    1.6152663E0   2.1099438E-2   8.5366018E-5    3
  -1.3261066E-7  5.5956604E-11      4.07563E3     2.028221E1                   4
C6H5CH2                 H   7C   7          G     250.0    6000.0  1000.0      1
    1.4723052E1   2.3034244E-2  -8.4847359E-6   1.3916962E-9 -8.4247967E-14    2
    1.7990189E4   -5.5950989E1   -1.2303836E0   4.8986376E-2   1.3815518E-5    3
  -6.2587233E-8  3.1595731E-11    2.3192877E4    3.0555495E1                   4
C6H4CH3                 H   7C   7          G     300.0    5000.0  1393.0      1
    1.5008804E1  2.08076711E-2 -7.18274868E-6  1.12201995E-9-6.53756838E-14    2
   2.89360689E4  -5.63866198E1  -2.51731357E0  6.18263711E-2 -4.43238513E-5    3
  1.66517959E-8-2.59379321E-12   3.50509401E4   3.77723973E1                   4
C7H6                    H   6C   7          G     300.0    5000.0  1401.0      1
   1.70564548E1  1.67766601E-2 -5.75637904E-6 8.95748927E-10-5.20574674E-14    2
   3.43929834E4  -6.83510071E1   -3.9640685E0  7.40750426E-2 -6.68009279E-5    3
  3.06821623E-8 -5.5925882E-12    4.0857505E4    4.1608855E1                   4
C7H5                    H   5C   7          G     300.0    5000.0  1404.0      1
    1.6564405E1  1.44569152E-2  -4.9136902E-6 7.59739947E-10-4.39556749E-14    2
   4.96364603E4   -6.2948726E1  -2.77567748E0  6.97210344E-2 -6.63891369E-5    3
  3.18329494E-8-5.98040634E-12   5.53261073E4   3.73111448E1                   4
C6H5CHO                 H   6O   1C   7     G     300.0    5000.0  1386.0      1
   1.74024893E1  1.89508317E-2 -6.58694307E-6  1.03413046E-9-6.04793155E-14    2
  -1.31418522E4  -6.83371315E1  -2.37082285E0  6.28843128E-2 -4.26460754E-5    3
  1.39416083E-8-1.74474949E-12  -6.11656186E3   3.85478773E1                   4
C6H5CO                  H   5O   1C   7     G     300.0    5000.0  1396.0      1
   1.79587471E1  1.58218495E-2 -5.48154854E-6 8.58709339E-10-5.01435299E-14    2
   3.78486787E3  -7.06341032E1  -1.71526142E0    6.533205E-2 -5.36914036E-5    3
   2.2369744E-8-3.73946626E-12   1.02136508E4   3.36880709E1                   4
OCH3C6H4O               H   7O   2C   7     G     300.0    5000.0  1393.0      1
   2.34089224E1  1.94710682E-2 -6.88461038E-6  1.09305933E-9-6.44198189E-14    2
  -2.26138847E4  -1.00700116E2  -7.01264913E0  9.89740849E-2 -8.79431488E-5    3
  3.90945887E-8-6.90477641E-12  -1.29339297E4   5.96245751E1                   4
HOC6H4CH2O              H   7O   2C   7     G     300.0    5000.0  1372.0      1
   2.19433055E1  2.04594075E-2 -7.26309775E-6  1.15607323E-9-6.82487355E-14    2
  -1.66912824E4  -8.93308628E1   1.68544886E0  6.20400092E-2 -3.79399395E-5    3
  1.06169395E-8-1.05016133E-12  -9.04996901E3   2.15617869E1                   4
HOC6H4CHO               H   6O   2C   7     G     300.0    5000.0  1398.0      1
   2.21273365E1  1.63766266E-2 -5.56012678E-6  8.6034209E-10-4.98422896E-14    2
  -3.66254103E4  -9.10377901E1  -2.48411968E0  8.02130063E-2 -6.92291016E-5    3
  2.97269461E-8-5.04176921E-12  -2.88470635E4   3.86687893E1                   4
HOC6H4CO                H   5O   2C   7     G     300.0    5000.0  1400.0      1
   2.13743437E1   1.4375607E-2 -4.84732009E-6 7.46563667E-10-4.31103974E-14    2
  -1.83638369E4  -8.60689676E1 -7.91109936E-1  7.35177342E-2 -6.56772806E-5    3
  2.91823964E-8-5.10216711E-12  -1.15203588E4   3.01664142E1                   4
HOC6H4CH2OOH            H   8O   3C   7     G     300.0    5000.0  1394.0      1
   2.61613318E1  2.05361063E-2 -7.15910554E-6  1.12622132E-9 -6.5958529E-14    2
  -3.48441566E4  -1.08404737E2   -2.9756666E0  9.66654029E-2 -8.47224577E-5    3
  3.74478922E-8-6.59470729E-12  -2.55751355E4   4.51493805E1                   4
HOC6H4CH2OO             H   7O   3C   7     G     300.0    5000.0  1390.0      1
   2.56154733E1  1.85434725E-2 -6.40765412E-6  1.00297172E-9 -5.8563054E-14    2
  -1.77745474E4  -1.04708103E2  -2.26809341E0  9.08215743E-2 -7.91861666E-5    3
  3.46197851E-8-6.01880047E-12  -8.87644654E3   4.23964585E1                   4
HOC6H4CH3               H   8O   1C   7     G     300.0    5000.0  1399.0      1
   1.90619388E1  2.18881056E-2 -7.52498751E-6  1.17246043E-9  -6.819814E-14    2
  -2.45191428E4  -7.76523319E1  -2.95484914E0  7.59437004E-2  -5.8803535E-5    3
  2.34749185E-8-3.80419645E-12  -1.71680056E4    3.9606171E1                   4
HOC6H4CH2               H   7O   1C   7     G     300.0    5000.0  1395.0      1
   2.02628865E1  1.87541796E-2 -6.54013354E-6  1.02876061E-9-6.02370606E-14    2
  -6.10427929E3  -8.47524281E1  -2.40899264E0  7.70722558E-2 -6.52750566E-5    3
  2.83479112E-8-4.95744925E-12   1.23788601E3   3.51181131E1                   4
OC6H4CH3                H   7O   1C   7     G     300.0    5000.0  1392.0      1
   1.81647789E1  2.08508345E-2 -7.23911034E-6  1.13534604E-9-6.63414735E-14    2
  -6.88625183E3  -7.15250086E1  -1.85717662E0   6.6715562E-2 -4.70372216E-5    3
  1.67196271E-8-2.39444122E-12    1.3614638E2   3.62916186E1                   4
C6H5CH2OH               H   8O   1C   7     G     300.0    5000.0  1374.0      1
   1.88364511E1  2.31148752E-2 -8.18259004E-6  1.29994648E-9-7.66395338E-14    2
  -2.14507156E4  -7.55761963E1   -2.3183976E0  6.66024713E-2  -4.0764716E-5    3
  1.18105957E-8-1.29709981E-12  -1.34313628E4   4.02807703E1                   4
C6H5CHOH                H   7O   1C   7     G     300.0    5000.0  1369.0      1
   1.87010786E1  2.07188627E-2 -7.36493772E-6   1.1732903E-9-6.93057524E-14    2
   5.13384622E2  -7.34484893E1 -7.47649469E-1  5.95671585E-2 -3.49424064E-5    3
   9.1919441E-9-8.16237111E-13   7.99712345E3    3.3464028E1                   4
C6H5CH2O                H   7O   1C   7     G     300.0    5000.0  1361.0      1
   1.92483236E1  2.07494501E-2 -7.39239154E-6  1.17943671E-9 -6.9742131E-14    2
   5.17232623E3  -7.79664929E1  2.30480198E-1  5.53611203E-2 -2.68816781E-5    3
  3.58435843E-9 4.98228846E-13   1.27838737E4   2.77013803E1                   4
C6H5CHOOCH3             H   9O   2C   8     G     300.0    5000.0  1391.0      1
   2.39389417E1  2.55802179E-2 -8.93645471E-6   1.4072844E-9-8.24626131E-14    2
  -2.90483393E3  -9.84083931E1  -4.15080808E0  9.63086315E-2 -7.90361848E-5    3
   3.3729364E-8-5.86581277E-12   6.40361986E3   5.07485305E1                   4
C6H5CH2CH2OO            H   9O   2C   8     G     300.0    5000.0  1392.0      1
   2.32195676E1  2.60543894E-2 -9.06848696E-6  1.42450939E-9-8.33254784E-14    2
  -9.30560896E2  -9.41996431E1  -2.97717571E0  9.09238597E-2 -7.22332479E-5    3
   3.0077832E-8-5.14215828E-12   7.87040761E3    4.5310022E1                   4
C6H5C2H5                H  10C   8          G     300.0    5000.0  1396.0      1
   2.02158866E1    2.571814E-2 -8.78778587E-6  1.36387819E-9 -7.9125243E-14    2
   -6.8760199E3  -8.53188987E1   -5.7012621E0  8.90606644E-2 -6.84365242E-5    3
  2.70624855E-8-4.33907755E-12   1.79229957E3   5.27926555E1                   4
C6H5C2H                 H   6C   8          G     300.0    5000.0  1391.0      1
   1.93379955E1  1.73557673E-2 -6.04861479E-6 9.51424775E-10-5.57198526E-14    2
   2.78198766E4  -8.10091969E1  -3.17410906E0  7.22092644E-2 -5.72755204E-5    3
  2.27363234E-8-3.60923077E-12   3.53360699E4   3.89679682E1                   4
C6H5CHCH3               H   9C   8          G     300.0    5000.0  1395.0      1
   2.03767475E1  2.34923061E-2 -8.02742753E-6  1.24595589E-9-7.22895395E-14    2
   1.07287463E4  -8.69308644E1  -3.62245458E0  8.22327387E-2 -6.34562719E-5    3
  2.51893798E-8-4.05353192E-12   1.87480811E4   4.09318172E1                   4
C6H5CH2CH2              H   9C   8          G     300.0    5000.0  1397.0      1
   1.97367479E1   2.3435991E-2 -7.88460514E-6  1.21151657E-9-6.98141943E-14    2
   1.82775793E4  -7.90373183E1  -5.03883577E0  8.49439879E-2 -6.65114973E-5    3
  2.66531641E-8-4.29645325E-12   2.64218438E4   5.25744447E1                   4
C6H5C2H3                H   8C   8          G     300.0    3000.0  1000.0      1
    1.1303213E1   3.3709887E-2  -1.3208885E-5   2.1140962E-9 -8.7311377E-14    2
    1.1725388E4   -3.4737919E1   -3.8678493E0   6.7947865E-2  -2.5230333E-5    3
  -1.8017145E-8   1.299847E-11    1.6200269E4     4.527177E1                   4
C6H5CCH2                H   7C   8          G     300.0    5000.0  1387.0      1
   1.92154972E1  2.02185937E-2 -7.07970746E-6  1.11666465E-9-6.55073301E-14    2
   2.44567929E4  -8.09621525E1  -1.75677703E0  6.93776528E-2 -5.15140526E-5    3
  1.96075933E-8-3.05640961E-12   3.17432364E4   3.16482133E1                   4
C6H5CHCH                H   7C   8          G     300.0    5000.0  1397.0      1
   1.90927875E1  1.98909822E-2 -6.86981799E-6  1.07370754E-9-6.25902921E-14    2
   3.82661147E4  -7.72000251E1  -3.64383962E0   7.8560446E-2 -6.60358335E-5    3
  2.85738243E-8-4.98068485E-12   4.55975302E4   4.29246209E1                   4
C14H13OOH               H  14O   2C  14     G     300.0    5000.0  1395.0      1
   4.01427062E1  3.93395367E-2 -1.37664348E-5  2.17056135E-9-1.27304368E-13    2
  -1.39277882E4  -1.84904308E2   -1.0426153E1  1.68709899E-1 -1.42892982E-4    3
  6.15601039E-8 -1.0648594E-11   2.47291567E3    8.2636548E1                   4
C14H13OO                H  13O   2C  14     G     300.0    5000.0  1394.0      1
   3.76701265E1  3.91886728E-2 -1.36838688E-5  2.15430957E-9-1.26216113E-13    2
   4.38748283E3  -1.69872607E2  -9.53800906E0  1.60095043E-1 -1.34982895E-4    3
  5.84090458E-8-1.01919995E-11   1.97390228E4   7.99308597E1                   4
C14H12OOH               H  13O   2C  14     G     300.0    5000.0  1394.0      1
   4.02968908E1  3.71210431E-2 -1.30088643E-5  2.05309245E-9-1.20495552E-13    2
   3.67900543E3  -1.86479334E2  -8.32529422E0  1.61762848E-1 -1.37724101E-4    3
  5.95672829E-8-1.03363053E-11   1.94259748E4   7.06782085E1                   4
C14H12O2H-1O2           H  13O   4C  14     G     300.0    5000.0  1391.0      1
    4.4878596E1  3.75685709E-2  -1.3282404E-5  2.10858085E-9-1.24255944E-13    2
  -9.97231472E3  -2.04041648E2   -9.4064693E0  1.77878119E-1 -1.55260847E-4    3
  6.84418245E-8-1.20655066E-11   7.52457116E3    8.2712841E1                   4
C14H11O-1O2H            H  12O   3C  14     G     300.0    5000.0  1393.0      1
   4.03057402E1  3.72594407E-2  -1.3090295E-5  2.06942373E-9-1.21596482E-13    2
  -2.78034193E4  -1.82398868E2  -7.77794671E0  1.57347464E-1 -1.29564931E-4    3
   5.4060549E-8-9.07699935E-12  -1.19364337E4   7.29984559E1                   4
C14H13O                 H  13O   1C  14     G     300.0    5000.0  1397.0      1
   3.62205336E1  3.75634484E-2 -1.29678295E-5  2.02688785E-9-1.18180078E-13    2
   5.74597621E3  -1.65590808E2  -1.19190739E1  1.59861239E-1  -1.3310543E-4    3
  5.60228564E-8-9.42896323E-12   2.13328544E4   8.92151705E1                   4
C14H12O                 H  12O   1C  14     G     300.0    5000.0  1394.0      1
   3.48141204E1  3.67953648E-2 -1.28282619E-5  2.01783856E-9-1.18158524E-13    2
  -1.68668837E4  -1.61938007E2  -9.56374055E0  1.44801295E-1 -1.13794706E-4    3
  4.50882665E-8-7.17648586E-12  -2.00559523E3   7.46678724E1                   4
C14H14                  H  14C  14          G     200.0    6000.0  1000.0      1
   2.65979897E1   4.6868934E-2 -1.69056103E-5   2.7373709E-9-1.64235887E-13    2
   3.18810786E3  -1.14827874E2   1.30521842E0  5.76220698E-2  1.22418244E-4    3
  -2.1812075E-7 9.59096665E-11   1.26627763E4   2.90742354E1                   4
C14H13                  H  13C  14          G     300.0    5000.0  1396.0      1
   3.47417341E1  3.59337719E-2 -1.22450631E-5  1.89794621E-9-1.10038037E-13    2
   1.74795959E4  -1.61420726E2  -9.29192717E0  1.47032767E-1  -1.2021186E-4    3
  4.97625178E-8-8.23851673E-12   3.17775915E4   7.18644702E1                   4
C14H12                  H  12C  14          G     300.0    5000.0  1397.0      1
   3.32102692E1  3.56298722E-2 -1.23336159E-5  1.93073037E-9-1.12678018E-13    2
   1.27147671E4  -1.53412616E2  -9.31596441E0  1.44390141E-1 -1.20631407E-4    3
  5.15297757E-8-8.85124801E-12   2.64875194E4   7.15504888E1                   4
C14H11                  H  11C  14          G     300.0    5000.0  1395.0      1
   3.27609182E1  3.39480669E-2  -1.1766724E-5  1.84362057E-9-1.07661574E-13    2
   2.92915217E4  -1.51883228E2  -6.70772425E0  1.32788823E-1 -1.07842007E-4    3
  4.47787253E-8-7.50278981E-12   4.22802338E4   5.76442987E1                   4
IND                     H   8C   9          G     300.0    5000.0  1398.0      1
    2.0565008E1  2.40327712E-2 -8.27638045E-6  1.29145387E-9-7.52114721E-14    2
   9.12366072E3  -8.95735971E1  -7.28231243E0  9.11988088E-2 -6.98829415E-5    3
  2.68064158E-8-4.09653374E-12    1.8457619E4   5.90250983E1                   4
C10H9                   H   9C  10          G     300.0    5000.0  1000.0      1
     2.422939E1    2.370296E-2    -7.09346E-6    1.035814E-9  -6.017515E-14    2
     1.950993E4    -1.182374E2    -2.429124E0    8.799829E-2   -5.683909E-5    3
    1.222818E-8   8.474501E-13     2.762304E4     2.253282E1                   4
C10H10                  H  10C  10          G     300.0    5000.0  1000.0      1
     2.245853E1    2.989824E-2   -1.024245E-5    1.642729E-9  -1.015941E-13    2
      4.61718E3    -1.101819E2    -3.379599E0    9.279625E-2   -5.919112E-5    3
    1.237303E-8   1.036264E-12     1.241238E4      2.60167E1                   4
C5H5CH3                 H   8C   6          G     300.0    5000.0  1402.0      1
   1.57725728E1  1.97301063E-2 -6.71858742E-6  1.04012939E-9 -6.0231516E-14    2
    5.7014563E3  -6.32954681E1  -5.76814861E0  7.77873688E-2 -6.92840496E-5    3
  3.29483322E-8-6.48132295E-12    1.2451088E4   4.97658509E1                   4
C9H7                    H   7C   9          G     300.0    3000.0  1000.0      1
   3.65597547E0  5.74808463E-2   -3.428706E-5  9.70278793E-9-1.05386412E-12    2
   3.06843457E4   2.57680216E0  -8.73685384E0  1.03421636E-1 -9.23423393E-5    3
  3.75622958E-8 -4.4060527E-12   3.31641009E4   6.28218291E1                   4
C9H6O                   H   6O   1C   9     G     300.0    3000.0  1000.0      1
   4.65659248E0  5.70055822E-2 -3.43174199E-5  9.76177442E-9-1.06334037E-12    2
    4.5785714E3 -7.03868477E-1  -6.53928778E0  9.69323286E-2 -8.17698656E-5    3
  2.96699474E-8-2.24993392E-12   6.88883578E3   5.40945996E1                   4
NAPH                    H   8C  10          G     300.0    5000.0  1400.0      1
   2.35897511E1  2.43823788E-2 -8.47570474E-6  1.33051182E-9-7.77992813E-14    2
   6.53423379E3  -1.12133982E2  -8.84119851E0  1.09328196E-1 -9.50844165E-5    3
  4.18320252E-8-7.33414017E-12   1.68163789E4   5.86791942E1                   4
NAPH-                   H   7C  10          G     300.0    3000.0  1000.0      1
   3.22892303E0  6.31264486E-2 -3.80582381E-5  1.08454069E-8-1.18342512E-12    2
    4.7840084E4   5.82016697E0  -8.02718034E0  1.02924518E-1  -8.3427201E-5    3
  2.72135383E-8-7.24559554E-13   5.01363344E4   6.08902264E1                   4
NAPHV                   H   7C  10          G     300.0    3000.0  1000.0      1
   3.29950506E0  6.30133365E-2 -3.79760083E-5  1.08180756E-8-1.18007697E-12    2
   4.76658373E4   5.41215697E0  -8.00768796E0  1.03041289E-1 -8.38190998E-5    3
  2.76491726E-8-8.88842208E-13   4.99740633E4    6.0729898E1                   4
NAPHO                   H   7O   1C  10     G     200.0    6000.0  1000.0      1
   2.10591364E1   2.8256307E-2 -1.03328686E-5  1.68867034E-9-1.01974767E-13    2
   4.09143507E3  -8.84963398E1  -1.15176448E0  6.11354512E-2  3.20151083E-5    3
  -9.9428529E-8 4.79990043E-11   1.14058756E4   3.25584836E1                   4
NO                      O   1N   1          G    298.15    3000.0  1000.0      1
   2.79462839E0  2.12260586E-3 -1.11936971E-6 2.79521018E-10-2.68625363E-14    2
   1.00019069E4   8.88322674E0   4.15036687E0 -4.08890008E-3  9.38071726E-6    3
 -7.50908901E-9 2.11742798E-12   9.77018679E3   2.53971032E0                   4
HCN                     H   1C   1N   1     G     200.0    6000.0  1000.0      1
   3.79525127E0  3.16330147E-3 -1.07316905E-6 1.67851828E-10-9.83948026E-15    2
   1.42249758E4   1.61357326E0    2.1057167E0  1.11841419E-2 -1.62402411E-5    3
  1.31663215E-8-4.17254301E-12   1.45427041E4   9.55501287E0                   4
NH3                     H   3N   1          G    298.15    3000.0  1000.0      1
   1.07096958E0  8.75466951E-3 -3.33525419E-6 4.72015791E-10-1.13562571E-14    2
  -5.77168689E3   1.49517392E1    3.2665051E0  3.05892867E-3  5.78755223E-7    3
 9.49077412E-10-9.02221969E-13  -6.36511405E3   3.58794921E0                   4
NH2                     H   2N   1          G    298.15    3000.0  1000.0      1
    2.6283961E0  3.44379888E-3 -1.08606365E-6 1.50714038E-10 -4.5942328E-15    2
   2.15909586E4   7.65372613E0   3.97883538E0 -5.13888088E-4  2.68436156E-6    3
  -9.188326E-10-9.82251152E-14   2.12486673E4  7.77619668E-1                   4
NH                      H   1N   1          G    298.15    3000.0  1000.0      1
   2.95100955E0  9.09994439E-4 -8.35582439E-8-5.17312027E-11 1.13981436E-14    2
   4.19707045E4   4.83056694E0   3.44697209E0  5.57847818E-4  -2.0028936E-6    3
  2.85952922E-9-1.12434284E-12   4.17899268E4   2.02990852E0                   4
N                       N   1               G     200.0    6000.0  1000.0      1
   2.41604245E0  1.74663766E-4 -1.18864562E-7 3.01850054E-11-2.03260159E-15    2
   5.61051512E4   4.64905706E0   2.49976643E0  5.02149594E-7  1.93091211E-9    3
-4.94632629E-12 2.74089506E-15    5.6076071E4   4.19499326E0                   4
NNH                     H   1N   2          G    298.15    3000.0  1000.0      1
   2.90981142E0  4.44718211E-3 -1.82919152E-6 3.64004342E-10-3.13273352E-14    2
   2.92696472E4   9.11653812E0   4.09254871E0 -2.37173287E-3  1.15311297E-5    3
 -1.06308423E-8  3.2393758E-12    2.9137498E4   3.93250587E0                   4
N2H4                    H   4N   2          G    298.15    3000.0  1000.0      1
   3.21893892E0  1.23204128E-2  -5.4437215E-6   1.2222335E-9 -1.1073652E-13    2
   1.05061274E4   6.57037382E0  9.42542945E-1  2.13488271E-2 -1.88705886E-5    3
  1.00963087E-8-2.30996292E-12   1.09652651E4   1.75719609E1                   4
N2H3                    H   3N   2          G    298.15    3000.0  1000.0      1
   3.20302281E0  7.99162955E-3 -3.10892955E-6 5.91433018E-10-4.34549709E-14    2
   2.58689598E4   8.45902214E0   3.80271862E0  5.52764141E-3  6.84860021E-7    3
 -2.00296493E-9 6.21445742E-13   2.57522809E4   5.58213774E0                   4
N2H2                    H   2N   2          G     200.0    6000.0  1000.0      1
   1.31115117E0  9.00187208E-3 -3.14911824E-6 4.81449581E-10-2.71897891E-14    2
   2.33863341E4   1.64091067E1   4.91066031E0  -1.0779188E-2  3.86516489E-5    3
 -3.86501698E-8 1.34852134E-11   2.28241901E4  9.10273396E-2                   4
H2NN                    H   2N   2          G    298.15    3000.0  1000.0      1
   1.46257631E0  1.01013888E-2 -5.16789506E-6  1.27606779E-9 -1.2233255E-13    2
    3.5591851E4   1.51070949E1   3.87707453E0 -2.65244519E-3  1.86066175E-5    3
 -1.76694483E-8 5.38800676E-12   3.52637434E4   4.23249694E0                   4
NH2OH                   H   3O   1N   1     G     200.0    6000.0  1000.0      1
   3.88112502E0  8.15708448E-3 -2.82615576E-6 4.37930933E-10-2.52724604E-14    2
  -6.86018419E3   3.79156136E0   3.21016092E0  6.19671676E-3  1.10594948E-5    3
 -1.96668262E-8  8.8251659E-12  -6.58148481E3   7.93293571E0                   4
H2NO                    H   2O   1N   1     G    298.15    3000.0  1000.0      1
   3.36485636E0  6.13307432E-3 -2.48863886E-6 4.83818467E-10-3.63995936E-14    2
   6.62654717E3    6.7531273E0   3.93370869E0  2.21175605E-3  5.86220201E-6    3
 -6.72931776E-9 2.17836171E-12   6.59507215E3   4.42022091E0                   4
HNOH                    H   2O   1N   1     G     200.0    6000.0  1000.0      1
   3.98321933E0  4.88846374E-3 -1.65086637E-6 2.55371446E-10-1.48308561E-14    2
   1.05780106E4   3.62582838E0   3.95608248E0  -3.0261102E-3  2.56874396E-5    3
  -3.1564512E-8 1.24084574E-11    1.0919979E4   5.55950983E0                   4
HNO                     H   1O   1N   1     G    298.15    3000.0  1000.0      1
   2.58819802E0  4.87708822E-3 -2.29243315E-6 5.82214028E-10-5.94811743E-14    2
   1.20213574E4   1.04315796E1   4.51988078E0 -5.42507623E-3  1.70239636E-5    3
 -1.48708172E-8 4.44763498E-12   1.17637925E4   1.75618526E0                   4
HON                     H   1O   1N   1     G     200.0    6000.0  1000.0      1
   4.12044656E0  2.28738122E-3 -7.14685362E-7 1.03332384E-10  -5.704841E-15    2
   2.43643963E4   3.38857665E0    4.1527245E0 -3.87826402E-3  2.05476031E-5    3
 -2.49049483E-8 9.87365462E-12   2.46037098E4   4.56636321E0                   4
NO2                     O   2N   1          G    298.15    3000.0  1000.0      1
   3.65239279E0   4.7163231E-3 -2.74591748E-6 7.45382834E-10-7.63891108E-14    2
   2.57216137E3    6.5268344E0   3.39100918E0  2.62448348E-3  5.09790306E-6    3
 -7.62120493E-9 2.79960135E-12   2.78130679E3   8.57220275E0                   4
HONO                    H   1O   2N   1     G    298.15    3000.0  1000.0      1
   4.19966671E0  5.94217338E-3 -2.95404834E-6 7.19846187E-10-6.74909061E-14    2
  -1.08122769E4   5.08809833E0   3.49106617E0  6.81116875E-3  -1.3094312E-6    3
 -2.34197204E-9 1.18931535E-12  -1.05722865E4   8.99803804E0                   4
HNO2                    H   1O   2N   1     G    298.15    3000.0  1000.0      1
   2.71886798E0  9.23249468E-3  -5.0092216E-6  1.30155189E-9-1.30503734E-13    2
  -6.61949139E3   1.03430537E1   2.86816457E0  4.08036347E-3  9.55139253E-6    3
 -1.29604691E-8 4.57373772E-12  -6.42160346E3   1.07615202E1                   4
NO3                     O   3N   1          G    298.15    3000.0  1000.0      1
   6.38293838E0  5.42422503E-3  -3.3439778E-6 9.48445417E-10-1.01961714E-13    2
   6.35473962E3  -6.30266486E0   3.09446759E0  1.51014573E-2 -1.26448498E-5    3
  3.67237581E-9 8.62184172E-14   7.18626632E3   1.04314685E1                   4
HONO2                   H   1O   3N   1     G    298.15    3000.0  1000.0      1
   5.28851491E0  1.02507554E-2  -6.0110858E-6  1.65260052E-9-1.73502753E-13    2
  -1.85463799E4  -1.38461402E0   1.03437078E0  2.44807579E-2 -2.31762285E-5    3
   1.0309455E-8-1.64107287E-12  -1.75562224E4   1.98358158E1                   4
N2O                     O   1N   2          G    298.15    3000.0  1000.0      1
   3.61316907E0  5.15970465E-3 -2.97227625E-6 8.00505298E-10-8.26331952E-14    2
   8.60075126E3   4.26880857E0   2.49126356E0  9.16224976E-3 -8.24847853E-6    3
  3.83289657E-9-7.19461784E-13   8.84938621E3   9.80262335E0                   4
HNC                     H   1C   1N   1     G    298.15    3000.0  1000.0      1
   2.93269187E0  3.80007742E-3 -1.71416245E-6 3.79713171E-10-3.33567957E-14    2
   2.19789829E4   6.19552896E0   2.31995135E0  6.47577653E-3 -6.06481667E-6    3
  3.50488635E-9-8.70834349E-13   2.20902942E4    9.0954635E0                   4
CN                      C   1N   1          G    298.15    3000.0  1000.0      1
   2.54417327E0  2.63413257E-3 -1.67393844E-6  5.4674729E-10-6.49315982E-14    2
   5.21657638E4   9.23794091E0    3.8348144E0 -2.57890681E-3  6.22133293E-6    3
 -4.76724184E-9  1.2761844E-12   5.19101593E4   3.02396226E0                   4
HNCO                    H   1O   1C   1N   1G    298.15    3000.0  1000.0      1
   4.16893487E0  6.17767838E-3 -2.35286422E-6 3.24605288E-10-8.03245562E-15    2
  -1.59903892E4   3.07758328E0   1.86224719E0  1.72234752E-2 -2.16501287E-5    3
  1.50084945E-8-4.13376628E-12   -1.5620004E4   1.37512564E1                   4
HOCN                    H   1O   1C   1N   1G    298.15    3000.0  1000.0      1
   4.26758218E0  6.14779617E-3 -2.91885336E-6 6.92686313E-10-6.47954836E-14    2
  -3.34027063E3   2.82895438E0    2.7769203E0   1.2035926E-2 -1.16392715E-5    3
  6.43178073E-9-1.48093966E-12  -3.03841237E3   1.00391657E1                   4
HCNO                    H   1O   1C   1N   1G    298.15    3000.0  1000.0      1
   4.55025354E0  7.57617778E-3 -4.21171419E-6  1.11675152E-9-1.14509217E-13    2
    1.8627049E4  4.52782794E-1   3.86648136E0  1.08161968E-2 -9.82913817E-6    3
  5.36663113E-9-1.30321169E-12   1.87385569E4   3.62535575E0                   4
NCO                     O   1C   1N   1     G    298.15    3000.0  1000.0      1
   3.77930605E0  5.23935486E-3 -3.11170901E-6 8.62141939E-10-9.12475403E-14    2
   1.34827126E4   4.10147682E0   2.80872271E0  7.96075832E-3 -5.45241934E-6    3
   1.2616856E-9 9.90990185E-14   1.37348757E4   9.07421285E0                   4
HNO3                    H   1O   3N   1     G     200.0    6000.0  1000.0      1
   8.03061257E0  4.46368336E-3 -1.72272779E-6 2.91611606E-10-1.80487362E-14    2
  -1.93033764E4  -1.62543421E1   1.55975056E0  2.01502169E-2 -1.15217296E-5    3
  -2.3189123E-9 3.17580552E-12  -1.73955871E4   1.77294677E1                   4
NCN                     C   1N   2          G     200.0    6000.0  1000.0      1
   5.65711708E0  1.64211333E-3 -6.37923438E-7 1.11209213E-10 -6.9932841E-15    2
   5.22097079E4   -6.1404995E0   3.00703195E0  8.38874126E-3 -6.90466542E-6    3
  2.84868816E-9-5.74273041E-13   5.30044793E4   7.78171011E0                   4
HNCN                    H   1C   1N   2     G     200.0    6000.0  1000.0      1
   5.53846448E0  3.89054126E-3 -1.38104752E-6 2.21294765E-10-1.31827325E-14    2
   3.59635337E4  -3.39587098E0   3.06754311E0  1.06789939E-2 -7.96224305E-6    3
   2.5988339E-9-1.27057612E-13   3.66623508E4   9.41074995E0                   4
NCNO                    O   1C   1N   2     G     200.0    3000.0  1000.0      1
   3.99574293E0  7.96025626E-6 -5.76602969E-9 1.80395948E-12 -2.0884688E-16    2
   3.09883543E4   8.58277153E0    3.9983346E0  8.03718093E-6 -1.56383867E-8    3
 1.20479659E-11-3.24908996E-15   3.09870621E4   8.56707356E0                   4
NCNOH                   H   1O   1C   1N   2G     200.0    3000.0  1000.0      1
   4.69841132E0  2.16546382E-3 -1.81441347E-6 5.49591459E-10-5.89846481E-14    2
   2.48820341E4   4.04514611E0   3.45317867E0  4.03550194E-3  1.32583822E-6    3
 -6.69960685E-9  3.4251565E-12   2.52609685E4   1.07521087E1                   4
HNCNH                   H   2C   1N   2     G     300.0    4000.0  1500.0      1
     8.374143E0    2.366143E-3   -3.502324E-7  -4.391102E-11   1.096859E-14    2
     1.461088E4    -2.107393E1     1.001985E0    2.464016E-2    -2.75977E-5    3
    1.532472E-8   -3.26828E-12     1.679368E4     1.694325E1                   4
NCCN                    C   2N   2          G    298.15    3000.0  1000.0      1
   4.84080631E0  6.38810486E-3 -3.64903618E-6 9.79067071E-10-1.01200069E-13    2
   3.53620921E4 -7.30725902E-1   3.64573201E0  1.27413947E-2 -1.55384598E-5    3
  1.04783421E-8-2.86926697E-12   3.55224573E4   4.64156863E0                   4
CH3NO                   H   3O   1C   1N   1G    298.15    3000.0  1000.0      1
   2.79545387E0  1.47873111E-2 -7.49889378E-6  1.86097505E-9-1.80544305E-13    2
   7.21798928E3   1.11556848E1   3.05467756E0  1.02236511E-2  4.63674423E-6    3
 -9.75621558E-9 3.60544468E-12    7.3424828E3   1.07867717E1                   4
CH2NO                   H   2O   1C   1N   1G     200.0    6000.0  1000.0      1
    5.4028152E0   6.9057001E-3  -2.5162977E-6  4.1014066E-10   -2.47183E-14    2
     2.452869E4   -4.4574262E0    3.8781858E0  -6.6530886E-3    5.394761E-5    3
  -6.8176813E-8  2.7181746E-11    2.5716857E4    7.4618774E0                   4
C2H5NO                  H   5O   1C   2N   1G     350.0    3000.0  1000.0      1
    3.2231341E0   2.5156438E-2  -1.2873587E-5   3.1852738E-9 -3.0895042E-13    2
    2.9056127E3    9.6628646E0    1.1950305E0   2.8461203E-2   -1.061926E-5    3
  -3.1252611E-9  2.4705957E-12    3.5516159E3    2.0649205E1                   4
CH3CHNO                 H   4O   1C   2N   1G     350.0    3000.0  1000.0      1
    3.7475482E0   2.1279652E-2  -1.0979616E-5   2.7359216E-9 -2.6695384E-13    2
    1.1741152E4    7.0847455E0    1.9222825E0   2.4433726E-2  -9.4902429E-6    3
  -2.4039831E-9  2.0547696E-12    1.2313554E4    1.6927344E1                   4
CH2CHNO                 H   3O   1C   2N   1G     350.0    3000.0  1000.0      1
    4.4874076E0   1.7018159E-2  -8.8619463E-6   2.2308272E-9 -2.1983603E-13    2
    1.7646007E4    2.3441725E0   7.8213381E-1   2.8625095E-2   -2.145111E-5    3
   7.4094437E-9  -7.109503E-13     1.854777E4    2.1023516E1                   4
CHCHNO                  H   2O   1C   2N   1G     350.0    3000.0  1000.0      1
    5.9152904E0   1.2104998E-2  -6.4464741E-6   1.6555687E-9  -1.659829E-13    2
    4.8091598E4   -3.5748661E0    1.6676729E0   2.7998607E-2  -2.8641596E-5    3
   1.5355456E-8 -3.3167395E-12    4.8995965E4    1.7191648E1                   4
CH3NO2                  H   3O   2C   1N   1G     300.0    5000.0  1382.0      1
   8.37940446E0  8.75823228E-3 -3.06019682E-6 4.81993353E-10  -2.824768E-14    2
  -1.29959359E4  -1.92964833E1  6.21024884E-1  2.52931993E-2 -1.60316189E-5    3
  4.91236912E-9 -5.7996551E-13   -1.0135386E4    2.2947603E1                   4
CH2NO2                  H   2O   2C   1N   1G     200.0    6000.0  1000.0      1
   7.57504807E0  7.01471036E-3 -2.51481162E-6  4.0567055E-10-2.42796598E-14    2
    1.2388008E4  -1.15985589E1   2.42742248E0  1.60496442E-2  2.84727836E-6    3
 -1.82218429E-8 9.35383557E-12   1.40120587E4   1.61086425E1                   4
C2H5NO2                 H   5O   2C   2N   1G     200.0    6000.0  1000.0      1
   9.21849299E0  1.62001532E-2 -5.98159944E-6 9.81277173E-10 -5.9345553E-14    2
  -1.68676292E4  -2.07232926E1   3.37137598E0  1.37914267E-2  3.84687528E-5    3
 -6.02380553E-8 2.49654782E-11  -1.43330647E4   1.40009494E1                   4
CH2CH2NO2               H   4O   2C   2N   1G     350.0    3000.0  1000.0      1
    6.2184105E0   2.2024026E-2  -1.1471041E-5   2.8887966E-9 -2.8483642E-13    2
    1.0142133E4   -3.0128314E0    1.1981474E0   3.8371155E-2  -3.0390851E-5    3
   1.1768081E-8 -1.5711767E-12    1.1332882E4    2.2140517E1                   4
CH3CHNO2                H   4O   2C   2N   1G     350.0    3000.0  1000.0      1
    5.7540282E0   2.2907291E-2  -1.2061343E-5   3.0609884E-9 -3.0346044E-13    2
    4.7458801E3  -5.6053426E-1   9.4831102E-1    3.734304E-2  -2.6534288E-5    3
   7.9224985E-9 -3.2205809E-13    5.9463796E3    2.3821053E1                   4
CH3ONO                  H   3O   2C   1N   1G     200.0    6000.0  1000.0      1
   6.93605239E0  9.97319424E-3 -3.60642537E-6 5.83462161E-10-3.50058729E-14    2
  -1.08381899E4  -6.98144573E0   6.15261387E0 -2.91937431E-3  4.14526828E-5    3
 -4.93954776E-8 1.85608328E-11  -9.85260262E3   8.0405719E-1                   4
CH3ONO2                 H   3O   3C   1N   1G    298.15    3000.0  1000.0      1
   5.66705295E0  2.03893194E-2 -1.15243684E-5  3.09466402E-9-3.19699013E-13    2
  -1.78098683E4  -2.34098857E0    2.5217491E0  2.52086272E-2 -7.11046855E-6    3
 -7.60984351E-9 4.29690478E-12  -1.67927122E4   1.47737613E1                   4
CH3CH2ONO               H   5O   2C   2N   1G     200.0    6000.0  1000.0      1
   9.21849299E0  1.62001532E-2 -5.98159944E-6 9.81277173E-10 -5.9345553E-14    2
  -1.65544389E4  -1.88591687E1   3.37137598E0  1.37914267E-2  3.84687528E-5    3
 -6.02380553E-8 2.49654782E-11  -1.40198744E4   1.58650733E1                   4
CH3CH2ONO2              H   5O   3C   2N   1G     200.0    6000.0  1000.0      1
   1.21360953E1  1.70091385E-2 -6.43739515E-6   1.0721988E-9 -6.5495092E-14    2
   -2.4190207E4  -3.71640527E1   3.75721604E0  1.93623098E-2  3.87534117E-5    3
  -6.6408953E-8 2.82505579E-11  -2.08444383E4    1.1181324E1                   4
CH3NH2                  H   5C   1N   1     G    298.15    3000.0  1000.0      1
   1.58569272E0  1.73392433E-2 -7.57167657E-6  1.63448988E-9-1.43457535E-13    2
  -3.78424898E3   1.50820203E1   2.75019024E0  7.67847749E-3  1.44236358E-5    3
 -1.80318274E-8 6.02381572E-12   -3.7670097E3   1.07146868E1                   4
CH2NH2                  H   4C   1N   1     G    298.15    3000.0  1000.0      1
   5.06945612E0   8.4222145E-3 -3.21265018E-6 5.86970119E-10-4.09769661E-14    2
   1.64189446E4 -4.07549261E-1   1.26708167E0    2.756215E-2 -3.78182101E-5    3
  2.75877811E-8-7.77378915E-12   1.69828977E4   1.69541001E1                   4
CH3NH                   H   4C   1N   1     G    298.15    3000.0  1000.0      1
   1.67934158E0  1.50885948E-2 -7.18687406E-6  1.67511081E-9-1.53477059E-13    2
   2.02751543E4   1.56664859E1   2.71757829E0  7.29786921E-3  9.95588255E-6    3
 -1.33911724E-8 4.52253844E-12   2.02493959E4   1.15670386E1                   4
CH2NH                   H   3C   1N   1     G    298.15    3000.0  1000.0      1
    1.3608705E0  1.27894688E-2 -6.15038118E-6   1.4431774E-9-1.32886877E-13    2
    9.7276431E3   1.58599212E1   2.59904203E0  3.86561483E-3  1.31921517E-5    3
 -1.54230124E-8 5.07645254E-12   9.67856719E3   1.08792513E1                   4
H2CN                    H   2C   1N   1     G    298.15    3000.0  1000.0      1
   2.29739405E0  8.82572819E-3 -4.40033873E-6  1.06264316E-9-1.00386799E-13    2
   2.76230474E4   1.13544949E1   2.85393737E0  4.92290479E-3  3.96887156E-6    3
 -6.19348049E-9 2.13280665E-12   2.75955712E4   9.08865766E0                   4
HCNH                    H   2C   1N   1     G     200.0    6000.0  1000.0      1
     4.040147E0  5.16591694E-3 -1.82276828E-6 2.90299053E-10-1.71614589E-14    2
   3.11540211E4   2.58894095E0   3.97114555E0 -3.88875724E-3   2.9291895E-5    3
 -3.57482411E-8 1.40303911E-11   3.15789298E4   5.06388721E0                   4
CH3CH2NH2               H   7C   2N   1     G    298.15    3000.0  1000.0      1
   2.82804839E0  2.53750154E-2 -1.18740298E-5   2.7099074E-9-2.44590811E-13    2
  -8.03920733E3   1.01771802E1  6.44080211E-1    3.148668E-2 -1.71052145E-5    3
  3.57315578E-9 1.95649123E-13  -7.47120329E3   2.13696162E1                   4
CH2CH2NH2               H   6C   2N   1     G    298.15    3000.0  1000.0      1
   4.10302792E0  2.03084588E-2 -9.25456057E-6  2.06112265E-9-1.81949714E-13    2
   1.70234069E4   5.55411391E0   1.25928611E0  3.01867188E-2 -2.18268895E-5    3
  8.94596797E-9-1.52898422E-12   1.76669906E4   1.96477011E1                   4
CH3CHNH2                H   6C   2N   1     G    298.15    3000.0  1000.0      1
   4.08789216E0  2.05227724E-2 -9.45003681E-6   2.1269461E-9-1.89705755E-13    2
   1.19396821E4   5.24987703E0   1.64074549E0   2.8582681E-2 -1.89468825E-5    3
  6.72949839E-9 -9.0817429E-13   1.25155453E4   1.74881147E1                   4
CH3CH2NH                H   6C   2N   1     G    298.15    3000.0  1000.0      1
   3.09795233E0  2.24757903E-2 -1.07197166E-5  2.48313682E-9-2.26728211E-13    2
   1.65130465E4    1.0292469E1   1.92365746E0  2.38729244E-2 -7.86534966E-6    3
 -2.71981984E-9  1.8990223E-12   1.69129077E4   1.67827743E1                   4
CH2CHNH2                H   5C   2N   1     G    298.15    3000.0  1000.0      1
   4.59217082E0  1.72595719E-2 -7.93920737E-6  1.79644782E-9 -1.6174872E-13    2
   2.46743039E3 -8.63800108E-2 -7.10306111E-1  3.74245041E-2 -3.66191425E-5    3
  1.98714291E-8-4.41925018E-12   3.58017455E3   2.57562499E1                   4
CH3CHNH                 H   5C   2N   1     G    298.15    3000.0  1000.0      1
   1.99419246E0  2.12775413E-2 -1.02686597E-5   2.4003926E-9-2.20647891E-13    2
   4.56273305E3   1.43228859E1   2.24230513E0  1.46071399E-2  8.25386853E-6    3
 -1.56259103E-8 5.70541553E-12   4.79700805E3   1.45453734E1                   4
CH2CHNH                 H   4C   2N   1     G    298.15    3000.0  1000.0      1
   3.67015758E0  1.67405872E-2 -8.17362541E-6  1.94564254E-9-1.82822975E-13    2
   2.26494763E4   5.23472336E0 -1.68729357E-1  2.91658096E-2 -2.24159711E-5    3
  8.51021434E-9 -1.0913846E-12   2.35637699E4   2.44877151E1                   4
CH2CNH2                 H   4C   2N   1     G    298.15    3000.0  1000.0      1
   4.21874005E0  1.56980617E-2 -7.75730038E-6  1.84326074E-9-1.71837565E-13    2
   3.03905504E4   4.69611801E0   2.01233456E0  2.56068048E-2 -2.42450966E-5    3
   1.3918246E-8-3.46136416E-12   3.07776754E4   1.50699688E1                   4
CH3CNH                  H   4C   2N   1     G    298.15    3000.0  1000.0      1
   3.29670257E0  1.69750507E-2 -8.65108533E-6   2.1263586E-9-2.04492818E-13    2
   2.51028107E4    8.6027703E0   2.23655533E0  1.58044545E-2  1.22158661E-6    3
 -9.86660781E-9 4.14654507E-12   2.55853994E4   1.50701642E1                   4
CH3CHN                  H   4C   2N   1     G    298.15    3000.0  1000.0      1
   2.67758316E0  1.76421637E-2 -8.68916543E-6  2.06973359E-9-1.93574323E-13    2
   2.23928599E4   1.20240438E1   2.81409484E0  1.32950847E-2  3.53300166E-6    3
 -9.87941013E-9 3.74396969E-12   2.25556092E4   1.23157119E1                   4
CHCHNH2                 H   4C   2N   1     G    298.15    3000.0  1000.0      1
   4.77534564E0  1.46041683E-2 -6.78153232E-6  1.55237043E-9-1.41604244E-13    2
   3.54379126E4  3.02319529E-1  5.83297823E-1  3.10085354E-2 -3.08423467E-5    3
  1.72290892E-8-3.96982789E-12   3.62945134E4   2.06174831E1                   4
CH3CN                   H   3C   2N   1     G    298.15    3000.0  1000.0      1
   2.42380288E0  1.54861485E-2 -7.68638356E-6  1.86346106E-9-1.76951943E-13    2
   7.52622169E3   1.09652442E1    2.5089112E0  1.33696562E-2 -1.84755678E-6    3
 -3.80514907E-9 1.68421532E-12   7.59800297E3   1.09986605E1                   4
CHCNH2                  H   3C   2N   1     G    298.15    3000.0  1000.0      1
   4.67245309E0   1.0498991E-2 -4.62630454E-6  1.01345924E-9-8.92616681E-14    2
   2.60712723E4 -5.77430843E-1   1.34809615E0  2.60893264E-2 -3.14511691E-5    3
  2.11896099E-8-5.70652625E-12   2.66214983E4   1.48874428E1                   4
CH2CNH                  H   3C   2N   1     G    298.15    3000.0  1000.0      1
   4.08696039E0  1.27930769E-2 -6.17629436E-6  1.46135849E-9-1.36980402E-13    2
   2.06483281E4    2.9536834E0  6.74453393E-1  2.66535164E-2 -2.72825709E-5    3
   1.5742621E-8-3.75989891E-12   2.13203089E4   1.93644542E1                   4
CH2CHN                  H   3C   2N   1     G    298.15    3000.0  1000.0      1
   4.14453572E0  1.31731672E-2 -6.28186453E-6  1.43989655E-9-1.30842159E-13    2
   4.10389141E4   3.75755189E0  3.85114887E-1  2.63155652E-2 -2.31525336E-5    3
   1.0791724E-8-1.99497769E-12   4.18855625E4   2.23684056E1                   4
CH2CHN(S)               H   3C   2N   1     G    298.15    3000.0  1000.0      1
   4.14453572E0  1.31731672E-2 -6.28186453E-6  1.43989655E-9-1.30842159E-13    2
   4.85873563E4   3.75755189E0  3.85114887E-1  2.63155652E-2 -2.31525336E-5    3
   1.0791724E-8-1.99497769E-12   4.94340048E4   2.23684056E1                   4
C-C2H3N                 H   3C   2N   1     G    298.15    3000.0  1000.0      1
   2.80979324E0  1.50201816E-2 -7.58141908E-6  1.85246807E-9-1.77642437E-13    2
   3.06581771E4   8.95343001E0  8.28524446E-2  2.20080656E-2 -1.21834261E-5    3
  1.00059353E-9 1.01529601E-12   3.13995593E4   2.30893128E1                   4
CH2CN                   H   2C   2N   1     G    298.15    3000.0  1000.0      1
   4.06051561E0  1.00705957E-2   -5.023994E-6  1.22784108E-9-1.17649648E-13    2
   2.94219446E4   3.75029564E0   2.41650063E0  1.68217139E-2 -1.54132587E-5    3
   8.3290758E-9 -1.9367229E-12   2.97419947E4    1.1637953E1                   4
CHCNH                   H   2C   2N   1     G    298.15    3000.0  1000.0      1
    5.5466262E0  7.65157744E-3 -3.57997666E-6   8.311089E-10-7.71666875E-14    2
   4.53945633E4  -3.17646312E0   2.87300918E0  1.98561384E-2 -2.41519574E-5    3
  1.60558556E-8-4.26087659E-12   4.58537821E4   9.34467032E0                   4
H2NCHO                  H   3O   1C   1N   1G     200.0    6000.0  1000.0      1
    4.9369466E0  9.60834089E-3 -3.32934933E-6 5.16597902E-10-2.99203362E-14    2
  -2.50910273E4  -2.00078185E0    3.1795247E0   1.9458999E-3  3.43329627E-5    3
 -4.64825836E-8  1.8726812E-11    -2.405804E4   9.94755425E0                   4
H2NCO                   H   2O   1C   1N   1G     200.0    6000.0  1000.0      1
   5.69169331E0  6.08717989E-3 -2.09433522E-6 3.28448737E-10 -1.9270389E-14    2
  -3.81028606E3  -3.22710215E0   3.53640094E0  9.73407134E-3 -3.87292847E-7    3
 -5.90128176E-9 3.01181866E-12  -3.09623872E3   8.47952204E0                   4
CH3NHCH3                H   7C   2N   1     G    298.15    3000.0  1000.0      1
   2.13913083E0  2.68643078E-2 -1.28763453E-5  2.99663495E-9-2.74772023E-13    2
  -4.17331872E3   1.29759199E1    1.2288238E0  2.60430675E-2 -4.95078244E-6    3
 -6.74954202E-9 3.27738931E-12   -3.7681339E3   1.84832422E1                   4
CH3NHCH2                H   6C   2N   1     G    298.15    3000.0  1000.0      1
   3.95751097E0  2.09452232E-2 -9.75570653E-6  2.21626118E-9-1.99156129E-13    2
   1.60587518E4   4.96297406E0    1.7140186E0  2.75573004E-2 -1.61309839E-5    3
  4.10455384E-9-8.07562261E-14   1.66255449E4   1.63770009E1                   4
CH3NCH3                 H   6C   2N   1     G    298.15    3000.0  1000.0      1
   1.54968373E0  2.47836253E-2 -1.20302906E-5  2.81641066E-9-2.58540173E-13    2
   1.73453147E4   1.93447983E1   3.61164557E0  9.06653308E-3   2.2749215E-5    3
 -2.78391712E-8 9.27266651E-12   1.73063845E4   1.12643356E1                   4
CH3NCH2                 H   5C   2N   1     G    298.15    3000.0  1000.0      1
    1.7409627E0  2.20935014E-2 -1.09102093E-5  2.60523608E-9-2.44224882E-13    2
   7.19229187E3   1.52596427E1   2.12431227E0   1.6164164E-2  4.57770566E-6    3
 -1.21159798E-8 4.53506389E-12   7.33541892E3   1.45091874E1                   4
CH2NCH2                 H   4C   2N   1     G    298.15    3000.0  1000.0      1
   3.32004739E0  1.85256567E-2 -9.56913297E-6  2.33791748E-9-2.22816553E-13    2
   2.51357839E4    6.5188096E0  8.69061323E-1  2.52857715E-2 -1.51435611E-5    3
  3.01037347E-9 3.70026806E-13   2.57781726E4   1.91043579E1                   4
CH3NCH                  H   4C   2N   1     G    298.15    3000.0  1000.0      1
   3.29670257E0  1.69750507E-2 -8.65108533E-6   2.1263586E-9-2.04492818E-13    2
   2.51028107E4    8.6027703E0   2.23655533E0  1.58044545E-2  1.22158661E-6    3
 -9.86660781E-9 4.14654507E-12   2.55853994E4   1.50701642E1                   4
C2H4ONO                 H   4O   2C   2N   1G     300.0    5000.0  1000.0      1
     1.003977E1  1.36751354E-2 -5.34844897E-6 9.57716971E-10-6.44638734E-14    2
   8.92311696E3  -2.00487257E1   2.26850129E0  3.51302455E-2 -2.63187864E-5    3
  8.53986697E-9-3.90322984E-13   1.11172427E4    2.0206227E1                   4
C2H3NO2                 H   3O   2C   2N   1G     300.0    5000.0  1392.0      1
   1.10835917E1  1.02246976E-2 -4.35143028E-6 7.87893121E-10-4.98387439E-14    2
   -6.6594085E2  -3.30650111E1   -5.2424291E0  5.77461811E-2  -5.7326924E-5    3
  2.73512685E-8-5.06318146E-12   3.95548946E3   5.11084929E1                   4
HOC2H4NO2               H   5O   3C   2N   1G     300.0    5000.0  1000.0      1
   1.13602772E1  1.73164318E-2 -6.70014499E-6  1.19170033E-9 -7.9860372E-14    2
  -3.59770806E4   -2.8536022E1   2.28174238E0  3.64198806E-2 -1.15926785E-5    3
 -1.16526184E-8 7.59853866E-12  -3.31557381E4   1.98668948E1                   4
CH3CNO                  H   3O   1C   2N   1G     300.0    3000.0  1000.0      1
   4.05201268E0  1.70710032E-2 -8.62916112E-6  2.11096894E-9-2.02704063E-13    2
   1.49098901E4   6.02104535E0   3.31828565E0  1.76062541E-2 -5.83255145E-6    3
 -2.15309478E-9 1.46322619E-12   1.51766183E4   1.01607684E1                   4
NO2CH2CHO               H   3O   3C   2N   1G     300.0    5000.0  1000.0      1
   1.01342077E1   1.4451283E-2 -5.76016827E-6  1.04520234E-9-7.10247566E-14    2
  -2.36502396E4   -2.4395439E1   2.19264991E0  3.03613868E-2 -9.20544493E-6    3
 -9.51119112E-9 5.92665905E-12    -2.108749E4   1.82806884E1                   4
CH3CHOOH                H   5O   2C   2     G     200.0    2500.0  999.99      1
   9.10837027E0  1.52964186E-2 -5.54863574E-6 9.02285762E-10-5.44120016E-14    2
  -9.32702959E2  -2.03914131E1    6.2685379E0  1.11351157E-4  6.15943537E-5    3
 -7.95035384E-8  3.1233345E-11   9.62571275E2 -1.80971233E-1                   4
C2-OOQOOH               H   5O   4C   2     G     300.0    3500.0  1800.0      1
   1.24323243E1  1.62358927E-2 -6.84260319E-6  1.39267431E-9-1.12911127E-13    2
  -1.87641105E4  -2.90906767E1   5.81911522E0  3.09319129E-2 -1.90892866E-5    3
    5.928483E-9-7.42884555E-13  -1.63833552E4   6.70139036E0                   4
CH3OOCH3                H   6O   2C   2     G     298.0    3000.0  1000.0      1
   3.41377431E0   2.6622276E-2 -1.34179276E-5  3.26472017E-9-3.12005925E-13    2
  -1.68683403E4   9.33332126E0   3.17246376E0  2.30594325E-2 -2.09870601E-7    3
  -1.1499535E-8 5.04834633E-12  -1.66293003E4   1.15403809E1                   4
NC3H7NO2                H   7O   2C   3N   1G     100.0    5000.0 1135.61      1
   9.73367597E0  2.61205335E-2  -1.1333245E-5  2.16362047E-9-1.52827628E-13    2
   -1.9015352E4  -2.34122139E1   1.95745444E0   3.7090212E-2 -4.13296798E-6    3
 -1.47965322E-8 6.38404735E-12  -1.61903824E4   1.97543598E1                   4
IC3H7NO2                H   7O   2C   3N   1G     100.0    5000.0 1106.39      1
    1.0347822E1  2.54433818E-2 -1.12104583E-5   2.1736066E-9-1.55488577E-13    2
  -1.99915819E4   -2.8766016E1   1.94745865E0    3.622602E-2  7.27293765E-7    3
 -2.10215643E-8 8.70152241E-12  -1.69339094E4   1.80280734E1                   4
NC3H7ONO                H   7O   2C   3N   1G     100.0    5000.0 1260.21      1
    6.5313463E0  3.31245148E-2 -1.52477664E-5   2.9247614E-9-2.04995296E-13    2
   -1.7445472E4  -3.26528473E0   2.05937817E0  4.73189567E-2  -3.2143195E-5    3
  1.18627045E-8-1.97811161E-12  -1.63183549E4   1.93436197E1                   4
IC3H7ONO                H   7O   2C   3N   1G     100.0    5000.0 1611.08      1
    1.0440877E1  2.66983643E-2 -1.16670336E-5  2.16250168E-9-1.47497834E-13    2
  -2.06092156E4  -2.65693786E1   1.80351504E0  4.81429469E-2 -3.16327706E-5    3
  1.04242237E-8-1.42949502E-12  -1.78260784E4   1.92202262E1                   4
C3H5NO                  H   5O   1C   3N   1G     100.0    5000.0  839.39      1
   4.24611269E0  2.59414819E-2 -1.20198354E-5  2.32703269E-9-1.64679369E-13    2
   1.70072483E4   8.92199902E0   2.60059427E0  3.37828049E-2 -2.60320637E-5    3
  1.34556843E-8-3.47911171E-12   1.72835008E4   1.65726135E1                   4
C3H5NO2                 H   5O   2C   3N   1G     100.0    5000.0 1201.13      1
   1.00211888E1  2.03718872E-2 -8.64638497E-6  1.61807893E-9-1.12491525E-13    2
  -2.40946116E3  -2.48390703E1   2.01571885E0  3.75524919E-2 -1.82641314E-5    3
   3.858927E-10 1.51150392E-12    1.9745058E2   1.80962383E1                   4
CH3CNO2CH2              H   5O   2C   3N   1G     100.0    5000.0 1181.13      1
   1.02775087E1  1.94178347E-2 -8.05130178E-6  1.49426833E-9-1.03621834E-13    2
  -1.21298772E3  -2.58183867E1   1.96130026E0  3.87884897E-2 -2.14846592E-5    3
  2.77354987E-9 9.59698565E-13   1.36484906E3   1.82833102E1                   4
IC3H7ONO2               H   7O   3C   3N   1G     100.0    5000.0 1047.98      1
   1.32063435E1  2.49642925E-2  -1.0130997E-5  1.90526046E-9-1.35211409E-13    2
  -2.90288931E4  -3.98556782E1    1.2679384E0  5.00681115E-2 -1.67725967E-5    3
 -1.25026198E-8 7.74683881E-12  -2.54029466E4   2.36610216E1                   4
NC3H7ONO2               H   7O   3C   3N   1G     100.0    5000.0 1213.94      1
   1.28997566E1  2.59913831E-2  -1.0913465E-5  2.02845754E-9-1.40434386E-13    2
  -2.70577218E4  -3.70945458E1   1.19134711E0   5.3493263E-2 -3.12076754E-5    3
  5.65627188E-9 6.60555642E-13  -2.33988016E4   2.50236982E1                   4
B13DE2M-3               H   7C   5          G     100.0    5000.0  962.18      1
   1.04912142E1  2.04109885E-2 -7.02894672E-6   1.1977137E-9-8.05080569E-14    2
   2.85029828E4  -2.87321144E1   1.75721271E0  4.35237271E-2  -2.2488144E-5    3
 -2.34513407E-9 4.54358019E-12   3.07945824E4   1.62420252E1                   4
BUTA123TRIENE           H   4C   4          G     100.0    5000.0   992.0      1
   7.69881395E0    1.271129E-2 -4.67313058E-6 8.44284855E-10-5.91380328E-14    2
   3.53226669E4  -1.57415651E1   2.81497256E0  2.11616601E-2  -4.5236871E-7    3
 -1.34151465E-8 6.41300854E-12   3.68448311E4   1.05691721E1                   4
IC5D1T3                 H   6C   5          G     298.0    5000.0 1227.19      1
   1.01470941E1  1.57153577E-2 -5.44309701E-6 8.99793282E-10-5.75513678E-14    2
   2.54791512E4  -2.57270585E1  8.58651692E-1  4.44861009E-2 -3.84694255E-5    3
  1.75567629E-8-3.17290133E-12   2.78489126E4   2.14033397E1                   4
IC5D1T3-1J              H   5C   5          G     298.0    5000.0 1377.15      1
   1.15919396E1   1.1665853E-2 -3.78375367E-6 5.92784748E-10-3.63276728E-14    2
   4.29354302E4  -3.34134086E1 -9.74208712E-2  4.96884685E-2 -4.98114902E-5    3
  2.51787867E-8-4.92786346E-12   4.57875897E4    2.5352338E1                   4
IC5D1T3-1V              H   5C   5          G     298.0    5000.0 1195.79      1
   1.11215929E1  1.15438138E-2 -3.69819179E-6 5.71230571E-10-3.45040103E-14    2
   5.47952651E4  -2.94593484E1   1.78836795E0  4.11542482E-2 -3.85365409E-5    3
  1.85944028E-8-3.49533641E-12   5.71216299E4   1.76777711E1                   4
IC5D1T3-4J              H   5C   5          G     298.0    5000.0 1234.28      1
   9.96132226E0  1.30210734E-2  -4.3762493E-6 7.05887077E-10 -4.4273852E-14    2
   6.62896582E4  -2.26299041E1   3.16291789E0  3.22593812E-2 -2.40403026E-5    3
  9.21198259E-9-1.33017355E-12   6.81529837E4    1.2410505E1                   4
IC5T1                   H   8C   5          G     300.0    5000.0  1384.0      1
   1.31973375E1  1.95061668E-2 -6.76127846E-6  1.05894111E-9-6.18075262E-14    2
   9.80202959E3  -4.70337466E1   1.23624748E0  4.52758534E-2 -2.86210826E-5    3
  9.96433729E-9-1.54463451E-12   1.43300482E4   1.82388628E1                   4
IC5T1-3                 H   7C   5          G     300.0    5000.0  1684.0      1
   1.01866308E1  1.97434523E-2 -7.04643279E-6  1.12934474E-9-6.70771244E-14    2
   3.38318596E4   -2.5717753E1   3.61768123E0  2.94172227E-2 -8.64270367E-6    3
 -1.50023889E-9 8.48502187E-13   3.65252186E4   1.14004032E1                   4
IC5T1-4                 H   7C   5          G     300.0    5000.0  1377.0      1
   1.32834196E1  1.67449578E-2 -5.87448207E-6 9.27573118E-10-5.44505302E-14    2
   3.45693794E4  -4.43904297E1   1.58840127E0  4.12442493E-2 -2.58270173E-5    3
  8.68794941E-9-1.29768641E-12   3.90674216E4   1.96813989E1                   4
MCP                     H   4C   4          G     100.0    5000.0  942.62      1
   9.91496046E0  8.45889476E-3 -2.13697107E-6 3.78698827E-10-3.02311548E-14    2
   4.66036654E4  -2.89719528E1   3.01177103E0  1.13105639E-2  3.54025335E-5    3
 -5.59302815E-8 2.27966347E-11   4.90798075E4   1.01551971E1                   4
!!!end of DIB therm
!!species of ic8 calculated by nour based on 16sept2015 groups
IC8H18                  H  18C   8          G     300.0    5000.0  1375.0      1
   2.89836767E1  3.73559123E-2 -1.29897715E-5  2.03973991E-9-1.19299976E-13    2
  -4.19523072E4  -1.34980537E2    -2.320103E0  9.94421827E-2 -5.50646625E-5    3
  1.24524269E-8  -5.630668E-13  -3.00098387E4   3.70060008E1                   4
AC8H17            -THERMH  17C   8          G     300.0    5000.0  1375.0      1
   2.84356308E1  3.52691727E-2 -1.22693107E-5   1.9272357E-9-1.12748013E-13    2
  -1.72341299E4  -1.28126198E2  -1.98100191E0  9.60814588E-2 -5.40979109E-5    3
  1.26600048E-8-6.77574373E-13  -5.68762686E3   3.87993547E1                   4
BC8H17            -THERMH  17C   8          G     300.0    5000.0  1370.0      1
   2.73402916E1  3.62118849E-2 -1.25951111E-5    1.977988E-9-1.15693818E-13    2
  -1.80472834E4  -1.22642537E2  -3.8161964E-1   8.5799981E-2 -3.81038812E-5    3
  2.75981311E-9 1.48908245E-12  -6.97772594E3    3.1500387E1                   4
CC8H17            -THERMH  17C   8          G     300.0    5000.0  1684.0      1
   2.25925578E1  4.24994873E-2 -1.54104111E-5   2.4968382E-9-1.49445696E-13    2
  -1.69902707E4  -9.48659898E1 -2.52353041E-1  8.54257788E-2 -3.94727207E-5    3
  5.27003772E-9 5.40758246E-13  -8.52703117E3    3.0875722E1                   4
DC8H17                  H  17C   8          G     300.0    5000.0  1375.0      1
   2.84356308E1  3.52691727E-2 -1.22693107E-5   1.9272357E-9-1.12748013E-13    2
  -1.72341299E4  -1.29223329E2  -1.98100191E0  9.60814588E-2 -5.40979109E-5    3
  1.26600048E-8-6.77574373E-13  -5.68762686E3   3.77022234E1                   4
IC8H16            -THERMH  16C   8          G     300.0    5000.0  1397.0      1
   2.56705029E1  3.36855956E-2 -1.13266491E-5   1.7390717E-9-1.00139465E-13    2
  -2.62708423E4  -1.13924701E2  -2.76918691E0  9.93990701E-2 -6.83906734E-5    3
  2.38396065E-8-3.31639651E-12  -1.64257106E4   3.88970353E1                   4
JC8H16            -THERMH  16C   8          G     300.0    5000.0  1675.0      1
   2.30009194E1  4.16545949E-2 -1.55135981E-5   2.5571592E-9-1.54849301E-13    2
  -2.61344335E4  -1.00618408E2   9.3897994E-2  7.87192826E-2 -2.77218383E-5    3
 -2.35603857E-9 2.15284412E-12  -1.70527941E4   2.76310787E1                   4
IC8H15            -THERMH  15C   8          G     300.0    5000.0  1397.0      1
   2.60931337E1   3.1762974E-2 -1.07800358E-5  1.66534077E-9-9.62985504E-14    2
  -8.00312155E3  -1.15651475E2  -3.74987946E0  1.05476476E-1 -8.12781961E-5    3
  3.26271703E-8-5.33783606E-12   1.92249518E3   4.31416185E1                   4
AC8H17O2                H  17O   2C   8     G     300.0    5000.0  1376.0      1
   3.34098292E1  3.59420358E-2  -1.2645638E-5   2.0010169E-9-1.17653224E-13    2
  -3.69143682E4  -1.50187273E2 -2.17657327E-1  1.04171553E-1 -6.11938687E-5    3
  1.56006304E-8-1.16839582E-12  -2.42259505E4   3.40440351E1                   4
BC8H17O2                H  17O   2C   8     G     300.0    5000.0  1380.0      1
   3.38088859E1   3.4954891E-2 -1.21623384E-5  1.91075564E-9-1.11799401E-13    2
  -3.79896314E4  -1.53927602E2 -9.06466454E-2  1.07387319E-1 -6.82458072E-5    3
  2.02581504E-8-2.17163447E-12  -2.56214203E4   3.04013451E1                   4
CC8H17O2                H  17O   2C   8     G     300.0    5000.0  1376.0      1
   3.33534308E1  3.58174216E-2 -1.25636397E-5  1.98408752E-9-1.16498265E-13    2
  -4.01651089E4  -1.53460279E2  8.23163646E-1   1.0205121E-1 -6.01449144E-5    3
  1.56507349E-8-1.26676277E-12  -2.78987568E4   2.47031927E1                   4
DC8H17O2                H  17O   2C   8     G     300.0    5000.0  1376.0      1
   3.34098292E1  3.59420358E-2  -1.2645638E-5   2.0010169E-9-1.17653224E-13    2
  -3.69143682E4  -1.50594922E2 -2.17657327E-1  1.04171553E-1 -6.11938687E-5    3
  1.56006304E-8-1.16839582E-12  -2.42259505E4   3.36363854E1                   4
AC8H17O2H               H  18O   2C   8     G     300.0    5000.0  1379.0      1
   3.39460269E1  3.77553556E-2 -1.32087493E-5  2.08237078E-9-1.22124032E-13    2
  -5.39178818E4  -1.53697828E2  -1.18239856E0    1.111352E-1 -6.82188579E-5    3
  1.91912499E-8-1.86950702E-12  -4.08860325E4    3.7988002E1                   4
BC8H17O2H               H  18O   2C   8     G     300.0    5000.0  1384.0      1
   3.43428016E1    3.676076E-2 -1.27217869E-5  1.99149857E-9 -1.1623531E-13    2
  -5.49955648E4  -1.57426767E2 -9.45992008E-1  1.13837146E-1 -7.45282047E-5    3
  2.34076457E-8-2.77955852E-12   -4.2297014E4   3.38459209E1                   4
CC8H17O2H         -THERMH  18O   2C   8     G     300.0    5000.0  1379.0      1
   3.39124303E1  3.75046079E-2 -1.30608105E-5   2.0529054E-9-1.20151263E-13    2
  -5.61561683E4  -1.57056863E2 -1.20540786E-1  1.08838467E-1 -6.68859106E-5    3
  1.90112644E-8-1.90416573E-12  -4.35528129E4   2.85691752E1                   4
DC8H17O2H               H  18O   2C   8     G     300.0    5000.0  1379.0      1
   3.39460269E1  3.77553556E-2 -1.32087493E-5  2.08237078E-9-1.22124032E-13    2
  -5.39178818E4  -1.54105478E2  -1.18239856E0    1.111352E-1 -6.82188579E-5    3
  1.91912499E-8-1.86950702E-12  -4.08860325E4   3.75803523E1                   4
AC8H17O           -THERMH  17O   1C   8     G     300.0    5000.0  1393.0      1
   2.38175805E1  3.46891715E-2 -1.17388763E-5  1.93072818E-9-1.19585605E-13    2
  -2.60615591E4  -1.11070122E2  -2.55709634E0  9.87322428E-2 -7.24954871E-5    3
  2.86857781E-8-4.70422312E-12  -1.70912481E4   2.98063644E1                   4
BC8H17O                 H  17O   1C   8     G     300.0    5000.0  1377.0      1
   3.18038815E1  3.45642533E-2  -1.2033292E-5  1.89113738E-9 -1.1067619E-13    2
  -3.62121271E4  -1.46349937E2  1.03153188E-1   9.8457863E-2 -5.60741199E-5    3
  1.29914757E-8-5.99265958E-13  -2.42992328E4   2.73225482E1                   4
CC8H17O                 H  17O   1C   8     G     300.0    5000.0  1481.0      1
    3.3835172E1  3.44779162E-2 -1.23791661E-5  1.98528563E-9 -1.1781569E-13    2
  -3.92520357E4  -1.60763135E2   6.04745097E0  6.41989027E-2  4.71145543E-6    3
 -2.72586147E-8 8.46283868E-12  -2.62536744E4   6.8559129E-1                   4
DC8H17O                 H  17O   1C   8     G     300.0    5000.0  1425.0      1
    3.3835172E1  3.44779162E-2 -1.23791661E-5  1.98528563E-9 -1.1781569E-13    2
  -3.92520357E4  -1.60763135E2   6.04745097E0  6.41989027E-2  4.71145543E-6    3
 -2.72586147E-8 8.46283868E-12  -2.62536744E4   6.8559129E-1                   4
AC8H16OOH-A       -THERMH  17O   2C   8     G     300.0    5000.0  1379.0      1
    3.3411312E1  3.56413407E-2 -1.24753351E-5  1.96747508E-9-1.15417876E-13    2
  -2.92045554E4  -1.47330594E2 -8.48379668E-1  1.07744052E-1 -6.71459544E-5    3
  1.92996608E-8-1.95634286E-12  -1.65617081E4   3.94028041E1                   4
AC8H16OOH-B       -THERMH  17O   2C   8     G     300.0    5000.0  1376.0      1
   3.23715334E1  3.64190264E-2 -1.27193846E-5  2.00297815E-9-1.17378081E-13    2
   -3.0018717E4   -1.4169692E2  6.92427389E-1   9.7713021E-2 -5.14942584E-5    3
  9.53351938E-9 1.99227648E-13  -1.78427098E4   3.27896392E1                   4
AC8H16OOH-C       -THERMH  17O   2C   8     G     300.0    5000.0  2028.0      1
    2.7323749E1  4.32063416E-2 -1.57689034E-5  2.56550787E-9-1.53982141E-13    2
  -2.80994831E4  -1.12244466E2   1.03008108E0  9.62072456E-2 -5.08088399E-5    3
    1.060214E-8-3.97038068E-13  -1.86644104E4   3.12307497E1                   4
AC8H16OOH-D       -THERMH  17O   2C   8     G     300.0    5000.0  1379.0      1
    3.3411312E1  3.56413407E-2 -1.24753351E-5  1.96747508E-9-1.15417876E-13    2
  -2.92045554E4  -1.47330594E2 -8.48379668E-1  1.07744052E-1 -6.71459544E-5    3
  1.92996608E-8-1.95634286E-12  -1.65617081E4   3.94028041E1                   4
BC8H16OOH-C       -THERMH  17O   2C   8     G     300.0    5000.0  1370.0      1
   3.26197838E1  3.58461408E-2 -1.24447119E-5  1.95231458E-9-1.14120233E-13    2
  -3.19666611E4  -1.44912064E2   2.35974369E0  9.30479385E-2 -4.65052806E-5    3
  6.98977356E-9 7.00317143E-13  -2.02200728E4   2.22057908E1                   4
BC8H16OOH-A       -THERMH  17O   2C   8     G     300.0    5000.0  1384.0      1
   3.37930839E1  3.46830603E-2 -1.20061278E-5  1.87991861E-9 -1.0974421E-13    2
  -3.02784774E4  -1.50567426E2 -6.14033379E-1  1.10504663E-1 -7.35997498E-5    3
  2.36413185E-8-2.90059031E-12   -1.7973638E4    3.5673034E1                   4
BC8H16OOH-D       -THERMH  17O   2C   8     G     300.0    5000.0  1384.0      1
   3.37930839E1  3.46830603E-2 -1.20061278E-5  1.87991861E-9 -1.0974421E-13    2
  -3.02784774E4  -1.50975076E2 -6.14033379E-1  1.10504663E-1 -7.35997498E-5    3
  2.36413185E-8-2.90059031E-12   -1.7973638E4   3.52653842E1                   4
CC8H16OOH-D       -THERMH  17O   2C   8     G     300.0    5000.0  1379.0      1
    3.3380343E1  3.54285038E-2 -1.23492149E-5  1.94231432E-9-1.13731754E-13    2
  -3.14510867E4  -1.50719022E2  2.17521114E-1  1.05465924E-1 -6.58443911E-5    3
  1.91594901E-8-2.00507989E-12  -1.92303156E4   2.99614984E1                   4
CC8H16OOH-B       -THERMH  17O   2C   8     G     300.0    5000.0  1376.0      1
      3.22995E1  3.63167465E-2 -1.26474715E-5  1.98789983E-9-1.16342985E-13    2
  -3.22635257E4  -1.45581639E2   1.77404542E0  9.53804214E-2 -5.01676178E-5    3
   9.4482527E-9 1.22858441E-13  -2.05138993E4   2.25789643E1                   4
CC8H16OOH-A       -THERMH  17O   2C   8     G     300.0    5000.0  1379.0      1
    3.3380343E1  3.54285038E-2 -1.23492149E-5  1.94231432E-9-1.13731754E-13    2
  -3.14510867E4  -1.50311372E2  2.17521114E-1  1.05465924E-1 -6.58443911E-5    3
  1.91594901E-8-2.00507989E-12  -1.92303156E4   3.03691481E1                   4
DC8H16OOH-C       -THERMH  17O   2C   8     G     300.0    5000.0  2028.0      1
    2.7323749E1  4.32063416E-2 -1.57689034E-5  2.56550787E-9-1.53982141E-13    2
  -2.80994831E4  -1.12647083E2   1.03008108E0  9.62072456E-2 -5.08088399E-5    3
    1.060214E-8-3.97038068E-13  -1.86644104E4   3.08281327E1                   4
DC8H16OOH-D       -THERMH  17O   2C   8     G     300.0    5000.0  1379.0      1
    3.3411312E1  3.56413407E-2 -1.24753351E-5  1.96747508E-9-1.15417876E-13    2
  -2.92045554E4  -1.48427725E2 -8.48379668E-1  1.07744052E-1 -6.71459544E-5    3
  1.92996608E-8-1.95634286E-12  -1.65617081E4   3.83056727E1                   4
DC8H16OOH-B       -THERMH  17O   2C   8     G     300.0    5000.0  1376.0      1
   3.23715334E1  3.64190264E-2 -1.27193846E-5  2.00297815E-9-1.17378081E-13    2
   -3.0018717E4   -1.4210457E2  6.92427389E-1   9.7713021E-2 -5.14942584E-5    3
  9.53351938E-9 1.99227648E-13  -1.78427098E4   3.23819895E1                   4
DC8H16OOH-A       -THERMH  17O   2C   8     G     300.0    5000.0  1379.0      1
    3.3411312E1  3.56413407E-2 -1.24753351E-5  1.96747508E-9-1.15417876E-13    2
  -2.92045554E4  -1.47330594E2 -8.48379668E-1  1.07744052E-1 -6.71459544E-5    3
  1.92996608E-8-1.95634286E-12  -1.65617081E4   3.94028041E1                   4
IC8ETERAA         -THERMH  16O   1C   8     G     300.0    5000.0  1407.0      1
   2.82726921E1  3.55384788E-2 -1.22021568E-5  1.89999846E-9-1.10481458E-13    2
  -4.16703648E4  -1.29525114E2  -7.44424727E0  1.15582506E-1  -7.7743935E-5    3
  2.48356274E-8-2.92734472E-12  -2.91583311E4   6.31126931E1                   4
IC8ETERAB         -THERMH  16O   1C   8     G     300.0    5000.0  1414.0      1
   2.85318054E1  3.47994342E-2 -1.18353974E-5  1.83132958E-9-1.06027836E-13    2
  -4.35529753E4  -1.31397995E2  -7.67604018E0  1.19263138E-1 -8.50254253E-5    3
  2.96343924E-8 -3.9811883E-12  -3.12256522E4   6.26681179E1                   4
IC8ETERAC         -THERMH  16O   1C   8     G     300.0    5000.0  1388.0      1
   2.81527633E1   3.6445981E-2 -1.26023543E-5  1.97177189E-9-1.15044325E-13    2
  -5.37499092E4  -1.32321009E2   -6.9851714E0  1.09477595E-1 -6.51971952E-5    3
  1.63592443E-8-1.02478243E-12  -4.08601758E4   5.92388613E1                   4
IC8ETERAD         -THERMH  16O   1C   8     G     300.0    5000.0  1402.0      1
    2.8360731E1   3.6658636E-2 -1.26661147E-5  1.98058811E-9-1.15507452E-13    2
  -5.31784878E4  -1.36242732E2  -9.90374921E0  1.21477088E-1 -8.09762478E-5    3
  2.52682022E-8-2.84758284E-12  -3.96759696E4   7.04754474E1                   4
IC8ETERBC         -THERMH  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.95982296E1  3.40262601E-2  -1.1690662E-5  1.82134263E-9-1.05953453E-13    2
  -4.42279249E4   -1.3857172E2  -3.41866071E0  1.05604058E-1 -6.73381723E-5    3
   1.9679576E-8-1.96039052E-12  -3.24079197E4   4.03824608E1                   4
IC8ETERBD         -THERMH  16O   1C   8     G     300.0    5000.0  1414.0      1
   2.85318054E1  3.47994342E-2 -1.18353974E-5  1.83132958E-9-1.06027836E-13    2
  -4.35529753E4  -1.31810678E2  -7.67604018E0  1.19263138E-1 -8.50254253E-5    3
  2.96343924E-8 -3.9811883E-12  -3.12256522E4   6.22554354E1                   4
IC8ETERCD         -THERMH  16O   1C   8     G     300.0    5000.0  1387.0      1
   2.94732999E1   3.4894785E-2 -1.21562562E-5  1.91110193E-9-1.11864835E-13    2
  -4.24927769E4  -1.37005548E2   -3.4984894E0  1.02811247E-1 -6.07010473E-5    3
  1.51440146E-8-9.62510193E-13  -3.02819503E4   4.30537335E1                   4
IC8ETERDD         -THERMH  16O   1C   8     G     300.0    5000.0  1407.0      1
   2.82726921E1  3.55384788E-2 -1.22021568E-5  1.89999846E-9-1.10481458E-13    2
  -4.16703648E4  -1.30622245E2  -7.44424727E0  1.15582506E-1  -7.7743935E-5    3
  2.48356274E-8-2.92734472E-12  -2.91583311E4   6.20155617E1                   4
AC8H16OOH-AO2     -THERMH  17O   4C   8     G     300.0    5000.0  1378.0      1
   3.84821294E1  3.60972499E-2 -1.27491745E-5   2.0225498E-9-1.19129555E-13    2
  -4.81559571E4  -1.69902551E2  9.74524953E-1  1.15449803E-1 -7.35282935E-5    3
  2.16812646E-8-2.30117546E-12  -3.43510688E4   3.43956598E1                   4
AC8H16OOH-BO2     -THERMH  17O   4C   8     G     300.0    5000.0  1383.0      1
   3.88502473E1  3.51833372E-2 -1.23002517E-5   1.9385057E-9-1.13669158E-13    2
  -4.99751348E4  -1.73064253E2  9.81880025E-1  1.19263099E-1 -8.15192764E-5    3
  2.69530842E-8-3.44556904E-12  -3.64851794E4    3.1705837E1                   4
AC8H16OOH-CO2     -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
    3.8341099E1  3.61168749E-2 -1.27324081E-5   2.0173715E-9-1.18720934E-13    2
  -5.21383779E4  -1.72305178E2   2.05009376E0  1.13187241E-1 -7.23856391E-5    3
  2.17678579E-8-2.42574869E-12  -3.87837085E4   2.53074876E1                   4
AC8H16OOH-DO2     -THERMH  17O   4C   8     G     300.0    5000.0  1378.0      1
   3.84821294E1  3.60972499E-2 -1.27491745E-5   2.0225498E-9-1.19129555E-13    2
  -4.81559571E4  -1.69902551E2  9.74524953E-1  1.15449803E-1 -7.35282935E-5    3
  2.16812646E-8-2.30117546E-12  -3.43510688E4   3.43956598E1                   4
BC8H16OOH-CO2     -THERMH  17O   4C   8     G     300.0    5000.0  1383.0      1
   3.87451874E1  3.50962268E-2 -1.22306548E-5  1.92347916E-9-1.12624339E-13    2
   -5.3203557E4  -1.76048412E2   2.10056074E0  1.16816341E-1 -8.01003921E-5    3
  2.68301257E-8-3.51447829E-12  -4.01696317E4     2.200373E1                   4
BC8H16OOH-AO2     -THERMH  17O   4C   8     G     300.0    5000.0  1383.0      1
   3.88502473E1  3.51833372E-2 -1.23002517E-5   1.9385057E-9-1.13669158E-13    2
  -4.99751348E4  -1.73064253E2  9.81880025E-1  1.19263099E-1 -8.15192764E-5    3
  2.69530842E-8-3.44556904E-12  -3.64851794E4    3.1705837E1                   4
BC8H16OOH-DO2     -THERMH  17O   4C   8     G     300.0    5000.0  1383.0      1
   3.88502473E1  3.51833372E-2 -1.23002517E-5   1.9385057E-9-1.13669158E-13    2
  -4.99751348E4  -1.73471902E2  9.81880025E-1  1.19263099E-1 -8.15192764E-5    3
  2.69530842E-8-3.44556904E-12  -3.64851794E4   3.12981872E1                   4
CC8H16OOH-DO2     -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
    3.8341099E1  3.61168749E-2 -1.27324081E-5   2.0173715E-9-1.18720934E-13    2
  -5.11318354E4  -1.72712828E2   2.05009376E0  1.13187241E-1 -7.23856391E-5    3
  2.17678579E-8-2.42574869E-12  -3.77771659E4   2.48998379E1                   4
CC8H16OOH-BO2     -THERMH  17O   4C   8     G     300.0    5000.0  1383.0      1
   3.87451874E1  3.50962268E-2 -1.22306548E-5  1.92347916E-9-1.12624339E-13    2
  -5.21970145E4  -1.76048412E2   2.10056074E0  1.16816341E-1 -8.01003921E-5    3
  2.68301257E-8-3.51447829E-12  -3.91630892E4     2.200373E1                   4
CC8H16OOH-AO2     -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
    3.8341099E1  3.61168749E-2 -1.27324081E-5   2.0173715E-9-1.18720934E-13    2
  -5.11318354E4  -1.72305178E2   2.05009376E0  1.13187241E-1 -7.23856391E-5    3
  2.17678579E-8-2.42574869E-12  -3.77771659E4   2.53074876E1                   4
DC8H16OOH-CO2     -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
    3.8341099E1  3.61168749E-2 -1.27324081E-5   2.0173715E-9-1.18720934E-13    2
  -5.21383779E4  -1.72712828E2   2.05009376E0  1.13187241E-1 -7.23856391E-5    3
  2.17678579E-8-2.42574869E-12  -3.87837085E4   2.48998379E1                   4
DC8H16OOH-DO2     -THERMH  17O   4C   8     G     300.0    5000.0  1378.0      1
   3.84821294E1  3.60972499E-2 -1.27491745E-5   2.0225498E-9-1.19129555E-13    2
  -4.81559571E4  -1.70999683E2  9.74524953E-1  1.15449803E-1 -7.35282935E-5    3
  2.16812646E-8-2.30117546E-12  -3.43510688E4   3.32985284E1                   4
DC8H16OOH-BO2           H  17O   4C   8     G     300.0    5000.0  1383.0      1
   3.88502473E1  3.51833372E-2 -1.23002517E-5   1.9385057E-9-1.13669158E-13    2
  -4.99751348E4  -1.73471902E2  9.81880025E-1  1.19263099E-1 -8.15192764E-5    3
  2.69530842E-8-3.44556904E-12  -3.64851794E4   3.12981872E1                   4
DC8H16OOH-AO2     -THERMH  17O   4C   8     G     300.0    5000.0  1378.0      1
   3.84821294E1  3.60972499E-2 -1.27491745E-5   2.0225498E-9-1.19129555E-13    2
  -4.81559571E4  -1.69902551E2  9.74524953E-1  1.15449803E-1 -7.35282935E-5    3
  2.16812646E-8-2.30117546E-12  -3.43510688E4   3.43956598E1                   4
IC8KETAA          -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.11021857E1   3.6459017E-2 -1.24943176E-5  1.94223767E-9-1.12782039E-13    2
   -6.2279878E4  -1.29876285E2 -1.58674451E-1  1.11893828E-1 -8.31304602E-5    3
  3.24533905E-8-5.22031842E-12  -5.16412602E4   3.71969282E1                   4
IC8KETAB          -THERMH  16O   3C   8     G     300.0    5000.0  1403.0      1
   3.14197697E1  3.56893741E-2 -1.21183871E-5  1.87206482E-9-1.08231298E-13    2
  -6.41050663E4  -1.32803379E2  2.59612051E-1  1.13858503E-1 -8.84223752E-5    3
  3.61565786E-8-6.04334908E-12  -5.38366225E4   3.26102089E1                   4
IC8KETAC          -THERMH  16O   3C   8     G     300.0    5000.0  1398.0      1
   3.09775186E1  3.64064307E-2 -1.24400951E-5   1.9299338E-9-1.11907633E-13    2
  -6.52446812E4  -1.32328736E2   1.07748402E0  1.08985403E-1 -8.10531642E-5    3
  3.19343892E-8-5.20331088E-12  -5.50936581E4   2.73498736E1                   4
IC8KETAD                H  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.11021857E1   3.6459017E-2 -1.24943176E-5  1.94223767E-9-1.12782039E-13    2
   -6.2279878E4  -1.29876285E2 -1.58674451E-1  1.11893828E-1 -8.31304602E-5    3
  3.24533905E-8-5.22031842E-12  -5.16412602E4   3.71969282E1                   4
IC8KETBA          -THERMH  16O   3C   8     G     300.0    5000.0  1403.0      1
   2.90438842E1  3.73585487E-2 -1.26185051E-5  1.94236332E-9-1.12013765E-13    2
  -6.52484265E4  -1.18741578E2   2.36539873E0  9.79323506E-2 -6.43417765E-5    3
  2.16637257E-8-2.94021193E-12  -5.58495679E4   2.50866551E1                   4
IC8KETBC          -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.17865188E1   3.5943176E-2 -1.23331586E-5  1.91901341E-9-1.11513711E-13    2
   -6.6815621E4  -1.38159606E2   1.08090357E0  1.06203046E-1 -7.31043711E-5    3
  2.55619747E-8-3.60496052E-12  -5.60460072E4   2.72005068E1                   4
IC8KETBD          -THERMH  16O   3C   8     G     300.0    5000.0  1403.0      1
   2.90438842E1  3.73585487E-2 -1.26185051E-5  1.94236332E-9-1.12013765E-13    2
  -6.52484265E4   -1.1915426E2   2.36539873E0  9.79323506E-2 -6.43417765E-5    3
  2.16637257E-8-2.94021193E-12  -5.58495679E4   2.46739726E1                   4
IC8KETDA                H  16O   3C   8     G     300.0    5000.0  1370.0      1
   3.44596837E1  3.48640697E-2 -1.22341946E-5  1.93279953E-9-1.13523683E-13    2
  -6.39163359E4  -1.51774209E2   1.84915155E0  9.76502164E-2 -5.13521939E-5    3
  9.05286837E-9 3.70803506E-13  -5.13708893E4   2.79214993E1                   4
IC8KETDB                H  16O   3C   8     G     300.0    5000.0  1376.0      1
   3.47954513E1  3.40447018E-2 -1.18338798E-5  1.85809448E-9-1.08680509E-13    2
  -6.57409614E4  -1.55194617E2   2.17192858E0  1.00074458E-1 -5.73523217E-5    3
  1.31828346E-8-5.42263111E-13  -5.35527456E4     2.336217E1                   4
IC8KETDC          -THERMH  16O   3C   8     G     300.0    5000.0  1366.0      1
   3.74001975E1  3.31245274E-2 -1.18068274E-5  1.88447032E-9  -1.114657E-13    2
  -6.63115275E4  -1.72291417E2  7.39685118E-1  1.05044335E-1 -5.85765229E-5    3
  1.18393963E-8-2.11618979E-14  -5.23469815E4   2.92403712E1                   4
IC8KETDD                H  16O   3C   8     G     300.0    5000.0  1370.0      1
   3.44596837E1  3.48640697E-2 -1.22341946E-5  1.93279953E-9-1.13523683E-13    2
  -6.39163359E4  -1.52871341E2   1.84915155E0  9.76502164E-2 -5.13521939E-5    3
  9.05286837E-9 3.70803506E-13  -5.13708893E4   2.68243679E1                   4
CC8H16OH-B        -THERMH  17O   1C   8     G     300.0    5000.0  1666.0      1
   2.55961655E1  4.39991831E-2 -1.64026215E-5  2.70541516E-9-1.63898723E-13    2
  -3.85137786E4  -1.09667127E2   2.43332542E0  7.84186905E-2 -2.24091321E-5    3
 -6.49621272E-9 3.08642346E-12  -2.90544393E4    2.1074937E1                   4
BC8H16OH-C        -THERMH  17O   1C   8     G     300.0    5000.0  2025.0      1
    2.5486696E1   4.1291168E-2 -1.47960483E-5  2.37996442E-9-1.41781662E-13    2
  -3.73474645E4  -1.06598652E2 -5.68574347E-1  9.60965673E-2 -5.39335998E-5    3
   1.3100842E-8-9.42329094E-13   -2.8240449E4   3.47226413E1                   4
CC8H16OH-BO2            H  17O   3C   8     G     300.0    5000.0  1374.0      1
   3.62106336E1  3.56249126E-2 -1.25234541E-5  1.98068084E-9-1.16420152E-13    2
  -6.04849622E4  -1.64347395E2   2.29582174E0  1.04193687E-1 -6.07285151E-5    3
  1.50198186E-8-9.90848575E-13  -4.76920077E4   2.14974214E1                   4
CC8H16O-BO2H            H  17O   3C   8     G     300.0    5000.0  1366.0      1
   3.75285985E1  3.45245574E-2 -1.21505238E-5  1.92335346E-9-1.13124043E-13    2
  -5.10370189E4  -1.72366781E2   4.11705877E0  9.86828708E-2  -5.1876038E-5    3
  8.98172916E-9 4.34285243E-13  -3.81677422E4   1.18018383E1                   4
CC8H16OH-D        -THERMH  17O   1C   8     G     300.0    5000.0  1575.0      1
   3.31084892E1  3.46016879E-2 -1.24052546E-5  1.98751645E-9-1.17867529E-13    2
  -4.12441904E4  -1.53269652E2   3.07871859E0   7.6130482E-2 -1.44619179E-5    3
 -1.48773688E-8 5.67032488E-12  -2.80525718E4   1.80120945E1                   4
DC8H16OH-C        -THERMH  17O   1C   8     G     300.0    5000.0  2016.0      1
   2.47948967E1   4.2638764E-2 -1.54341975E-5  2.49809596E-9-1.49422059E-13    2
  -3.59962237E4  -1.00826364E2 -5.16276935E-1  9.34356778E-2 -4.85860283E-5    3
  9.77907608E-9-2.71453454E-13  -2.69054945E4   3.73435336E1                   4
BC8H16OH-CO2            H  17O   3C   8     G     300.0    5000.0  1383.0      1
   3.58614371E1  3.50473602E-2 -1.21335621E-5  1.90017192E-9-1.10943628E-13    2
  -6.10166065E4  -1.62865033E2  1.36742216E-1  1.14636791E-1 -7.80096341E-5    3
  2.59050521E-8-3.34894407E-12  -4.83162466E4   3.02195302E1                   4
BC8H16O-CO2H      -THERMH  17O   3C   8     G     300.0    5000.0  1382.0      1
   3.67498355E1  3.46976117E-2 -1.20990422E-5  1.90349022E-9-1.11481077E-13    2
  -5.04251463E4  -1.68529465E2   2.32029839E0  1.07755856E-1 -6.77067554E-5    3
  1.94162319E-8-1.90851373E-12  -3.78444971E4   1.88075856E1                   4
CC8H16OH-DO2      -THERMH  17O   3C   8     G     300.0    5000.0  1368.0      1
   3.60330193E1  3.61574844E-2 -1.27940784E-5  2.03216899E-9-1.19798301E-13    2
  -5.94670389E4   -1.6219411E2   1.93926793E0  1.01845435E-1 -5.46808428E-5    3
  1.07271877E-8-1.68996592E-14  -4.62584927E4   2.58231274E1                   4
CC8H16O-DO2H      98-TRMH  17O   3C   8     G     300.0    5000.0  1398.0      1
   3.47789129E1  3.59653495E-2 -1.23450444E-5  1.92137125E-9-1.11673282E-13    2
  -5.10322495E4  -1.53139778E2  -1.06380331E0  1.25177078E-1 -9.85722976E-5    3
  4.02647881E-8-6.68729477E-12  -3.91627086E4   3.73630837E1                   4
DC8H16OH-CO2            H  17O   3C   8     G     300.0    5000.0  1379.0      1
   3.55704246E1   3.5858333E-2 -1.25349864E-5  1.97527051E-9-1.15812568E-13    2
   -5.9128464E4  -1.60132923E2  3.85378745E-1  1.10921234E-1 -7.07505875E-5    3
  2.11790524E-8-2.32283107E-12  -4.62523276E4   3.12734739E1                   4
DC8H16O-CO2H      -THERMH  17O   3C   8     G     300.0    5000.0  1376.0      1
   3.65907491E1  3.53319041E-2 -1.24283043E-5  1.96639164E-9-1.15609221E-13    2
   -4.9347535E4  -1.66548457E2   2.71238919E0  1.03373055E-1 -5.93060858E-5    3
  1.38987904E-8-6.94872505E-13  -3.65572096E4    1.9199004E1                   4
!!DIB thermo
JC8H15-A                H  15C   8          G     300.0    5000.0  1397.0      1
    2.5593176E1  3.18096149E-2 -1.08043861E-5  1.66984178E-9-9.65839989E-14    2
  -1.44520712E3  -1.09151482E2   -2.5037646E0   9.9654975E-2 -7.39295101E-5    3
  2.85679611E-8-4.51332288E-12   8.05840993E3   4.09072912E1                   4
JC8H15-D                H  15C   8          G     300.0    5000.0  1399.0      1
   2.64306029E1  3.15363134E-2 -1.07131579E-5  1.65592851E-9-9.57874181E-14    2
  -8.26737392E3  -1.17370945E2  -4.24219768E0  1.08946965E-1  -8.6626613E-5    3
  3.58743276E-8-6.03240928E-12   1.76998089E3   4.52531781E1                   4
JC8H15-B                H  15C   8          G     300.0    5000.0  1397.0      1
   2.56155202E1  3.22706924E-2 -1.09763308E-5  1.69807627E-9 -9.8286115E-14    2
  -8.36842912E3  -1.14468396E2  -3.65513243E0  1.02726238E-1 -7.61376293E-5    3
  2.92229935E-8-4.56963558E-12   1.53958792E3   4.19133416E1                   4
IC8H15-A                H  15C   8          G     300.0    5000.0  1394.0      1
   2.52590283E1  3.20331951E-2 -1.08701839E-5  1.67908663E-9-9.70855205E-14    2
  -1.18208814E3  -1.07737561E2  -2.01695267E0  9.62173998E-2 -6.86323469E-5    3
   2.5352747E-8-3.82579286E-12   8.21149604E3   3.85324362E1                   4
JC8H15O-B               H  15O   1C   8     G     300.0    5000.0  1398.0      1
   3.03240004E1  2.95031651E-2 -9.85270327E-6  1.50723283E-9-8.66136941E-14    2
  -2.14820937E4  -1.35416134E2  -4.58751983E0  1.16859893E-1 -9.33512209E-5    3
  3.76430454E-8-6.04402774E-12  -1.01389999E4   4.96892684E1                   4
JC8H15O-D               H  15O   1C   8     G     300.0    5000.0  1395.0      1
   2.82499013E1  3.17179285E-2  -1.0699097E-5  1.64658957E-9-9.49804517E-14    2
  -1.83665164E4  -1.23086116E2  -2.43920073E0  1.05689308E-1 -7.87836643E-5    3
  3.00785615E-8-4.63453774E-12  -8.04213386E3    4.0749685E1                   4
IC8H15O-D               H  15O   1C   8     G     300.0    5000.0  1392.0      1
   2.79574821E1   3.1890457E-2 -1.07455969E-5  1.65277696E-9-9.53060048E-14    2
  -1.81247545E4  -1.21916546E2  -1.91817503E0  1.02093501E-1 -7.32333749E-5    3
  2.67017501E-8 -3.9117873E-12   -7.8941493E3   3.82171781E1                   4
DMPD13                  H  12C   7          G     300.0    5000.0  1394.0      1
   2.03313245E1  2.73630444E-2  -9.3564386E-6  1.45209553E-9-8.42186571E-14    2
  -8.68890127E3     -8.32626E1 -1.95578609E-1  7.76711632E-2 -5.81990498E-5    3
  2.37087917E-8-4.05128177E-12  -1.68663564E3   2.63258705E1                   4
DMPD13-B                H  11C   7          G     300.0    5000.0  1396.0      1
   2.07493833E1  2.49467485E-2 -8.53675742E-6  1.32559405E-9-7.69115213E-14    2
   9.55462602E3   -8.5681804E1  -1.14320077E0  8.23051295E-2 -6.82540516E-5    3
  3.02747638E-8-5.49029096E-12   1.66345641E4   2.98544449E1                   4
NEOC5H11CCH2        0-04H  13C   7          G     300.0    5000.0  1398.0      1
   2.21837654E1    2.751544E-2 -9.32924766E-6  1.44018832E-9-8.32353538E-14    2
   8.45673031E3  -9.32173447E1  -2.08892456E0  8.56713013E-2 -6.27529417E-5    3
   2.3811118E-8-3.68052623E-12    1.6695004E4   3.65494536E1                   4
TC4H9CHCCH3          -04H  13C   7          G     300.0    5000.0  1394.0      1
   2.18557196E1  2.77146798E-2 -9.38289149E-6  1.44718076E-9-8.35924401E-14    2
   7.56775027E3  -9.18175613E1  -1.53378005E0  8.20490287E-2 -5.72938565E-5    3
   2.0534538E-8 -2.9847501E-12   1.56770888E4   3.38336636E1                   4
MPT124                  H   8C   6          G     300.0    5000.0  1393.0      1
   1.63055206E1  1.89174661E-2 -6.45019143E-6 9.99285876E-10-5.78898354E-14    2
   1.93515562E4  -6.05855437E1  8.45638247E-1  5.72143708E-2 -4.38267704E-5    3
  1.80150296E-8-3.07353478E-12   2.45534012E4   2.17552437E1                   4
MPT124J                 H   7C   6          G     300.0    5000.0  1397.0      1
   1.67172226E1  1.65070627E-2 -5.63260449E-6 8.73114103E-10 -5.0601902E-14    2
   3.75960241E4  -6.29767181E1 -1.00862356E-1  6.18041201E-2 -5.37939272E-5    3
  2.45196902E-8-4.49811163E-12   4.28755701E4   2.52821872E1                   4
DMPD13-E                H  11C   7          G     300.0    5000.0  1396.0      1
   2.07493833E1  2.49467485E-2 -8.53675742E-6  1.32559405E-9-7.69115213E-14    2
   9.55462602E3  -8.49923224E1  -1.14320077E0  8.23051295E-2 -6.82540516E-5    3
  3.02747638E-8-5.49029096E-12   1.66345641E4   3.05439266E1                   4
DMPD13OH                H  12O   1C   7     G     300.0    5000.0  1396.0      1
   2.23087175E1  2.75656025E-2 -9.37489309E-6  1.44977632E-9-8.38780708E-14    2
  -2.73171902E4  -8.94027131E1  7.07795871E-1    8.088715E-2 -6.11300686E-5    3
  2.48473533E-8-4.19893587E-12  -2.00369538E4   2.57003068E1                   4
DMPD13OHE               H  11O   1C   7     G     300.0    5000.0  1389.0      1
   2.27701526E1  2.55537876E-2 -8.88752093E-6  1.39531907E-9-8.15851144E-14    2
  -1.36423264E4  -9.24405139E1  1.34556934E-1  7.92947953E-2 -5.89368986E-5    3
  2.32027531E-8-3.81298944E-12  -5.77030787E3   2.89850185E1                   4
DMPD13O                 H  11O   1C   7     G     300.0    5000.0  1392.0      1
   2.25702709E1   2.5477672E-2 -8.80516605E-6  1.37648706E-9-8.02425233E-14    2
  -1.25675113E3  -9.12103059E1  9.20962899E-1  7.80060801E-2 -5.90418637E-5    3
  2.38713092E-8-4.02264868E-12   6.16091638E3   2.45254427E1                   4
DMPD13HO          -THERMH  10O   1C   7     G     300.0    5000.0  1396.0      1
    2.2716244E1  2.30249246E-2 -7.91314781E-6  1.23242511E-9-7.16578233E-14    2
  -2.12401034E4  -9.39234975E1 -5.00228186E-1   8.5238061E-2 -7.39475478E-5    3
  3.36932395E-8-6.19499584E-12  -1.38952549E4   2.80672634E1                   4
DMPD13CO                H   9O   1C   7     G     300.0    5000.0  1397.0      1
   2.21738552E1  2.08902658E-2 -7.16513846E-6   1.1143558E-9  -6.472695E-14    2
  -3.09780248E3  -9.02507269E1  7.10692628E-1  8.04910952E-2  -7.2800339E-5    3
  3.44398517E-8-6.51392141E-12   3.50740351E3   2.18267302E1                   4
DMBD13-D          -THERMH   9C   6          G     300.0    5000.0  1394.0      1
   1.64783783E1  2.09390846E-2 -7.15530151E-6  1.10998138E-9-6.43554294E-14    2
   2.60876907E4  -6.09637585E1   1.03303782E0   5.9049991E-2 -4.45405401E-5    3
  1.83552495E-8-3.17544165E-12   3.13416024E4   2.14222921E1                   4
DMPDBO            -THERMH  11O   1C   7     G     300.0    5000.0  1392.0      1
   2.25702709E1   2.5477672E-2 -8.80516605E-6  1.37648706E-9-8.02425233E-14    2
  -1.25675113E3  -9.12103059E1  9.20962899E-1  7.80060801E-2 -5.90418637E-5    3
  2.38713092E-8-4.02264868E-12   6.16091638E3   2.45254427E1                   4
M4PD12-D          -THERMH   9C   6          G     300.0    5000.0  1384.0      1
   1.66301396E1   2.1451519E-2 -7.47748565E-6  1.17569708E-9-6.88147801E-14    2
    2.1573573E4  -6.46275982E1 -2.76656718E-1  5.82706616E-2 -3.80112202E-5    3
  1.27804461E-8 -1.7938415E-12   2.77989219E4   2.72676397E1                   4
M4PD12O           -THERMH   9O   1C   6     G     300.0    5000.0  1394.0      1
   2.11553669E1  1.84637389E-2 -6.18459037E-6 9.47951767E-10-5.45464887E-14    2
   8.77304026E3  -8.43592928E1 -5.15117549E-1  7.44597172E-2 -6.22850012E-5    3
  2.66898721E-8-4.58370555E-12    1.5698088E4   3.00151965E1                   4
PD12CO            -THERMH   6O   1C   5     G     300.0    5000.0  1388.0      1
   1.49985605E1  1.55217017E-2 -5.40955138E-6 8.50475676E-10-4.97768033E-14    2
  -5.19920362E3  -5.22105781E1   8.4717137E-1   4.8947888E-2 -3.62815948E-5    3
  1.41596294E-8-2.30143117E-12   -2.6737773E2   2.37523234E1                   4
PD12CO-E          -THERMH   5O   1C   5     G     300.0    5000.0  1390.0      1
   1.63061811E1  1.20024724E-2 -4.22806062E-6 6.69563336E-10-3.93889238E-14    2
   1.59011681E4  -5.87813175E1    1.0167789E0  5.04390101E-2  -4.2036116E-5    3
  1.78912472E-8  -3.076974E-12   2.09479849E4   2.23845469E1                   4
DMPDBHO           -THERMH  10O   1C   7     G     300.0    5000.0  1393.0      1
   2.21030765E1   2.3562895E-2 -8.10314403E-6  1.26259204E-9-7.34365194E-14    2
  -2.07341306E4  -8.96220477E1  6.70092264E-1  7.79354267E-2 -6.26702271E-5    3
  2.68063673E-8-4.71304869E-12  -1.36439756E4   2.40894201E1                   4
DMPDBCO           -THERMH   9O   1C   7     G     300.0    5000.0  1394.0      1
   2.15444981E1  2.14394187E-2 -7.35842495E-6  1.14497737E-9-6.65297378E-14    2
  -2.58668927E3  -8.58577282E1   1.94349705E0  7.28560144E-2 -6.10117574E-5    3
   2.7233796E-8 -4.9614711E-12   3.75091002E3    1.7571954E1                   4
MP1CO-C           -THERMH   9O   1C   6     G     300.0    5000.0  1388.0      1
   1.81394358E1  2.21403381E-2 -7.68137285E-6  1.20401629E-9-7.03220811E-14    2
  -1.11827965E4  -6.79273989E1 -2.79853624E-1  6.36452932E-2 -4.35086532E-5    3
  1.54028605E-8-2.26206898E-12  -4.57959988E3   3.16277023E1                   4
MP1OCO            -THERMH   9O   2C   6     G     300.0    5000.0  1385.0      1
    2.1863377E1  2.02433758E-2 -6.85612415E-6  1.05883502E-9-6.12500868E-14    2
  -2.46663472E4  -8.35964652E1  3.43932114E-1    7.110207E-2 -5.25631135E-5    3
  1.96509254E-8-2.95231604E-12  -1.73200028E4   3.16570221E1                   4
C(CO)2            -THERMH   4O   2C   3     G     300.0    5000.0  1373.0      1
   1.18377936E1  1.06832643E-2 -3.76864788E-6 5.97374721E-10-3.51655013E-14    2
  -3.80693117E4  -3.53976752E1   1.97192949E0  3.01085469E-2 -1.67791836E-5    3
  3.73805387E-9-1.49790837E-13  -3.42864928E4   1.88652981E1                   4
C(CO)2-A          -THERMH   3O   2C   3     G     300.0    5000.0  1499.0      1
   1.16987566E1  8.43547442E-3 -3.03625572E-6 4.87743408E-10-2.89785062E-14    2
  -1.99183964E4  -3.46312337E1   2.82154525E0  2.21696243E-2 -6.38468225E-6    3
 -2.79258947E-9 1.33022344E-12  -1.61991348E4   1.54256587E1                   4
CC8H15(OOH)2AB    -THERMH  17O   4C   8     G     300.0    5000.0  1375.0      1
   3.76278258E1  3.61042306E-2 -1.25927566E-5  1.98160633E-9-1.16077235E-13    2
  -4.39353142E4  -1.63855303E2   3.44424803E0  1.04884154E-1 -5.97758984E-5    3
  1.37068022E-8-5.81615375E-13  -3.10857097E4    2.3448496E1                   4
BC8H15(OOH)2AC          H  17O   4C   8     G     300.0    5000.0  1379.0      1
   3.73538184E1  3.65087401E-2  -1.2767736E-5  2.01240907E-9-1.18005678E-13    2
  -4.42518579E4  -1.64095251E2   2.80541929E0  1.07422232E-1 -6.36832112E-5    3
  1.62804075E-8-1.17837245E-12  -3.13708874E4   2.47675112E1                   4
DC8H15(OOH)2AC    -THERMH  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.83703206E1  3.57335787E-2 -1.25205643E-5  1.97598878E-9-1.15974235E-13    2
  -4.34176491E4  -1.69571149E2   1.34857723E0  1.17128705E-1  -7.8904685E-5    3
  2.57857099E-8-3.27498191E-12  -3.01038077E4   3.09821102E1                   4
CC8H15(OOH)2AD    -THERMH  17O   4C   8     G     300.0    5000.0  1370.0      1
    3.7275178E1  3.70173632E-2 -1.30432994E-5  2.06603553E-9-1.21563436E-13    2
  -4.21206481E4  -1.60780194E2   3.25742055E0  1.01905914E-1 -5.29991247E-5    3
  9.16569421E-9 4.05897429E-13  -2.89258475E4   2.69647631E1                   4
DC8H15(OOH)2BC    -THERMH  17O   4C   8     G     300.0    5000.0  1387.0      1
    3.8725225E1  3.48334356E-2 -1.20786393E-5  1.89339852E-9-1.10616979E-13    2
  -4.44848055E4  -1.73073494E2   1.61389627E0  1.19770993E-1 -8.52121483E-5    3
   3.0066657E-8-4.21195943E-12  -3.15208893E4   2.66975162E1                   4
CC8H15(OOH)2BD    -THERMH  17O   4C   8     G     300.0    5000.0  1375.0      1
   3.76278258E1  3.61042306E-2 -1.25927566E-5  1.98160633E-9-1.16077235E-13    2
  -4.39353142E4   -1.6425792E2   3.44424803E0  1.04884154E-1 -5.97758984E-5    3
  1.37068022E-8-5.81615375E-13  -3.10857097E4    2.3045879E1                   4
BC8H15(OOH)2CD    -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
   3.73538184E1  3.65087401E-2  -1.2767736E-5  2.01240907E-9-1.18005678E-13    2
  -4.42518579E4    -1.645029E2   2.80541929E0  1.07422232E-1 -6.36832112E-5    3
  1.62804075E-8-1.17837245E-12  -3.13708874E4   2.43598615E1                   4
DC8H15(OOH)2CD    -THERMH  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.83703206E1  3.57335787E-2 -1.25205643E-5  1.97598878E-9-1.15974235E-13    2
  -4.34176491E4  -1.70668281E2   1.34857723E0  1.17128705E-1  -7.8904685E-5    3
  2.57857099E-8-3.27498191E-12  -3.01038077E4   2.98849789E1                   4
CC8H15(OOH)2DD    -THERMH  17O   4C   8     G     300.0    5000.0  1370.0      1
    3.7275178E1  3.70173632E-2 -1.30432994E-5  2.06603553E-9-1.21563436E-13    2
  -4.21206481E4   -1.6257184E2   3.25742055E0  1.01905914E-1 -5.29991247E-5    3
  9.16569421E-9 4.05897429E-13  -2.89258475E4   2.51731174E1                   4
CC8H15(OOH)AA     -THERMH  17O   4C   8     G     300.0    5000.0  1370.0      1
    3.7275178E1  3.70173632E-2 -1.30432994E-5  2.06603553E-9-1.21563436E-13    2
  -4.21206481E4  -1.61474709E2   3.25742055E0  1.01905914E-1 -5.29991247E-5    3
  9.16569421E-9 4.05897429E-13  -2.89258475E4   2.62702487E1                   4
AC8H15(OOH)AC     -THERMH  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.83703206E1  3.57335787E-2 -1.25205643E-5  1.97598878E-9-1.15974235E-13    2
  -4.34176491E4  -1.69571149E2   1.34857723E0  1.17128705E-1  -7.8904685E-5    3
  2.57857099E-8-3.27498191E-12  -3.01038077E4   3.09821102E1                   4
AC8H15(OOH)BC     -THERMH  17O   4C   8     G     300.0    5000.0  1387.0      1
    3.8725225E1  3.48334356E-2 -1.20786393E-5  1.89339852E-9-1.10616979E-13    2
  -4.44848055E4  -1.72665844E2   1.61389627E0  1.19770993E-1 -8.52121483E-5    3
   3.0066657E-8-4.21195943E-12  -3.15208893E4   2.71051659E1                   4
AC8H15(OOH)CD     -THERMH  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.83703206E1  3.57335787E-2 -1.25205643E-5  1.97598878E-9-1.15974235E-13    2
  -4.44241917E4  -1.69571149E2   1.34857723E0  1.17128705E-1  -7.8904685E-5    3
  2.57857099E-8-3.27498191E-12  -3.11103502E4   3.09821102E1                   4
DC8H15(OOH)AA     -THERMH  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.84046102E1  3.59343666E-2  -1.2641128E-5  2.00018528E-9-1.17601779E-13    2
  -4.04179443E4  -1.67291355E2  3.30398919E-1  1.19203054E-1 -7.99324403E-5    3
  2.57708709E-8 -3.1946852E-12  -2.66875921E4   3.91093077E1                   4
AC8H15(OOH)DD     -THERMH  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.84046102E1  3.59343666E-2  -1.2641128E-5  2.00018528E-9-1.17601779E-13    2
  -4.04179443E4  -1.67980837E2  3.30398919E-1  1.19203054E-1 -7.99324403E-5    3
  2.57708709E-8 -3.1946852E-12  -2.66875921E4   3.84198261E1                   4
AC8H15(OOH)AA           H  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.84046102E1  3.59343666E-2  -1.2641128E-5  2.00018528E-9-1.17601779E-13    2
  -4.04179443E4  -1.67980837E2  3.30398919E-1  1.19203054E-1 -7.99324403E-5    3
  2.57708709E-8 -3.1946852E-12  -2.66875921E4   3.84198261E1                   4
BC8H15(OOH)AA     -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
    3.7425895E1  3.66031125E-2 -1.28355743E-5  2.02674184E-9-1.18993889E-13    2
  -4.12556327E4   -1.6200496E2   1.84765076E0  1.09170765E-1  -6.4148424E-5    3
  1.58465709E-8 -9.9126059E-13  -2.79623939E4   3.26211149E1                   4
AC8H15(OOH)AB           H  17O   4C   8     G     300.0    5000.0  1387.0      1
   3.87962579E1  3.49513486E-2 -1.21588992E-5  1.91006401E-9-1.11755299E-13    2
  -4.22458434E4  -1.69892166E2   4.8836066E-1  1.22265647E-1 -8.67643845E-5    3
  3.02986537E-8-4.17059774E-12  -2.88420889E4   3.64243848E1                   4
DC8H15(OOH)AB     -THERMH  17O   4C   8     G     300.0    5000.0  1387.0      1
   3.87962579E1  3.49513486E-2 -1.21588992E-5  1.91006401E-9-1.11755299E-13    2
  -4.22458434E4  -1.69892166E2   4.8836066E-1  1.22265647E-1 -8.67643845E-5    3
  3.02986537E-8-4.17059774E-12  -2.88420889E4   3.64243848E1                   4
BC8H15(OOH)AD     -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
    3.7425895E1  3.66031125E-2 -1.28355743E-5  2.02674184E-9-1.18993889E-13    2
  -4.12556327E4  -1.61315478E2   1.84765076E0  1.09170765E-1  -6.4148424E-5    3
  1.58465709E-8 -9.9126059E-13  -2.79623939E4   3.33105965E1                   4
DC8H15(OOH)AD           H  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.84046102E1  3.59343666E-2  -1.2641128E-5  2.00018528E-9-1.17601779E-13    2
  -4.04179443E4  -1.67291355E2  3.30398919E-1  1.19203054E-1 -7.99324403E-5    3
  2.57708709E-8 -3.1946852E-12  -2.66875921E4   3.91093077E1                   4
DC8H15(OOH)BD     -THERMH  17O   4C   8     G     300.0    5000.0  1387.0      1
   3.87962579E1  3.49513486E-2 -1.21588992E-5  1.91006401E-9-1.11755299E-13    2
  -4.22458434E4  -1.70989298E2   4.8836066E-1  1.22265647E-1 -8.67643845E-5    3
  3.02986537E-8-4.17059774E-12  -2.88420889E4   3.53272534E1                   4
AC8H15(OOH)AD           H  17O   4C   8     G     300.0    5000.0  1382.0      1
   3.84046102E1  3.59343666E-2  -1.2641128E-5  2.00018528E-9-1.17601779E-13    2
  -4.04179443E4  -1.66601874E2  3.30398919E-1  1.19203054E-1 -7.99324403E-5    3
  2.57708709E-8 -3.1946852E-12  -2.66875921E4   3.97987893E1                   4
AC8H15(OOH)BD           H  17O   4C   8     G     300.0    5000.0  1387.0      1
   3.87962579E1  3.49513486E-2 -1.21588992E-5  1.91006401E-9-1.11755299E-13    2
  -4.22458434E4  -1.69892166E2   4.8836066E-1  1.22265647E-1 -8.67643845E-5    3
  3.02986537E-8-4.17059774E-12  -2.88420889E4   3.64243848E1                   4
BC8H15(OOH)DD     -THERMH  17O   4C   8     G     300.0    5000.0  1379.0      1
    3.7425895E1  3.66031125E-2 -1.28355743E-5  2.02674184E-9-1.18993889E-13    2
  -4.12556327E4  -1.63102091E2   1.84765076E0  1.09170765E-1  -6.4148424E-5    3
  1.58465709E-8 -9.9126059E-13  -2.79623939E4   3.15239835E1                   4
A(OOH)ETRAA       -THERMH  16O   3C   8     G     300.0    5000.0  1406.0      1
   3.33476253E1  3.56795676E-2 -1.22975937E-5  1.91988579E-9-1.11845177E-13    2
  -5.29060418E4  -1.49932467E2   -6.3921809E0  1.27531489E-1 -9.11033739E-5    3
  3.15459003E-8-4.19624823E-12  -3.92636099E4   6.34134458E1                   4
A(OOH)ETRAB       -THERMH  16O   3C   8     G     300.0    5000.0  1412.0      1
   3.34888418E1   3.5145157E-2 -1.20223946E-5  1.86752785E-9-1.08417913E-13    2
  -5.47481424E4  -1.50464617E2  -6.49419842E0  1.30695991E-1 -9.77443709E-5    3
  3.60490055E-8-5.20370705E-12  -4.13517795E4    6.3046881E1                   4
B(OOH)ETRAA       -THERMH  16O   3C   8     G     300.0    5000.0  1416.0      1
   3.37542125E1  3.47525166E-2 -1.18516758E-5  1.83733769E-9-1.06520743E-13    2
   -5.4762664E4  -1.52661431E2  -6.08996334E0  1.29996011E-1 -9.70974055E-5    3
  3.56341301E-8-5.09447478E-12  -4.14411052E4   6.00564463E1                   4
B(OOH)ETRAD       -THERMH  16O   3C   8     G     300.0    5000.0  1412.0      1
    3.3767956E1   3.5997299E-2 -1.23706597E-5  1.92764974E-9-1.12155018E-13    2
  -6.62436542E4   -1.5896578E2   -8.4933073E0  1.35674456E-1 -1.00079519E-4    3
  3.59668776E-8-5.00266503E-12  -5.19678994E4   6.71534139E1                   4
A(OOH)ETRBD       -THERMH  16O   3C   8     G     300.0    5000.0  1412.0      1
   3.34888418E1   3.5145157E-2 -1.20223946E-5  1.86752785E-9-1.08417913E-13    2
  -5.47481424E4  -1.50464617E2  -6.49419842E0  1.30695991E-1 -9.77443709E-5    3
  3.60490055E-8-5.20370705E-12  -4.13517795E4    6.3046881E1                   4
D(OOH)ETRAB       -THERMH  16O   3C   8     G     300.0    5000.0  1412.0      1
   3.34888418E1   3.5145157E-2 -1.20223946E-5  1.86752785E-9-1.08417913E-13    2
  -5.47481424E4  -1.50464617E2  -6.49419842E0  1.30695991E-1 -9.77443709E-5    3
  3.60490055E-8-5.20370705E-12  -4.13517795E4    6.3046881E1                   4
D(OOH)ETRAD       -THERMH  16O   3C   8     G     300.0    5000.0  1402.0      1
   3.34123104E1  3.68434316E-2 -1.27816719E-5   2.0041225E-9-1.17103425E-13    2
   -6.4408062E4  -1.56524905E2  -8.81237445E0  1.33250162E-1 -9.40914564E-5    3
  3.18476967E-8-4.09187597E-12  -4.97870606E4   7.05949355E1                   4
A(OOH)ETRDD       -THERMH  16O   3C   8     G     300.0    5000.0  1406.0      1
   3.33476253E1  3.56795676E-2 -1.22975937E-5  1.91988579E-9-1.11845177E-13    2
  -5.29060418E4  -1.49932467E2   -6.3921809E0  1.27531489E-1 -9.11033739E-5    3
  3.15459003E-8-4.19624823E-12  -3.92636099E4   6.34134458E1                   4
D(OOH)ETRBD       -THERMH  16O   3C   8     G     300.0    5000.0  1412.0      1
   3.34888418E1   3.5145157E-2 -1.20223946E-5  1.86752785E-9-1.08417913E-13    2
  -5.47481424E4  -1.51561748E2  -6.49419842E0  1.30695991E-1 -9.77443709E-5    3
  3.60490055E-8-5.20370705E-12  -4.13517795E4   6.19497496E1                   4
B(OOH)ETRDD       -THERMH  16O   3C   8     G     300.0    5000.0  1416.0      1
   3.37542125E1  3.47525166E-2 -1.18516758E-5  1.83733769E-9-1.06520743E-13    2
   -5.4762664E4  -1.53758562E2  -6.08996334E0  1.29996011E-1 -9.70974055E-5    3
  3.56341301E-8-5.09447478E-12  -4.14411052E4   5.89593149E1                   4
D(OOH)ETRAA       -THERMH  16O   3C   8     G     300.0    5000.0  1406.0      1
   3.33476253E1  3.56795676E-2 -1.22975937E-5  1.91988579E-9-1.11845177E-13    2
  -5.29060418E4  -1.49242985E2   -6.3921809E0  1.27531489E-1 -9.11033739E-5    3
  3.15459003E-8-4.19624823E-12  -3.92636099E4   6.41029274E1                   4
XC8OOHA           -THERMH  16O   2C   8     G     300.0    5000.0  1398.0      1
   2.99883526E1  3.52483728E-2 -1.20711666E-5  1.87575482E-9-1.08898025E-13    2
  -3.80435686E4  -1.29143341E2  -1.17972912E0  1.09288096E-1 -7.95716338E-5    3
   2.9977356E-8-4.61117833E-12  -2.73726639E4   3.77605713E1                   4
!!alternative pathway
YC8OOHA                 H  16O   2C   8     G     300.0    5000.0  1373.0      1
   3.22374215E1  3.47408821E-2 -1.22151884E-5  1.93216246E-9-1.13577152E-13    2
  -3.93606077E4  -1.43383202E2 -7.65924075E-2  9.87063156E-2 -5.52166742E-5    3
  1.22829797E-8-4.61984694E-13  -2.70409821E4   3.41639702E1                   4
YC8OOHB                 H  16O   2C   8     G     300.0    5000.0  1373.0      1
   3.56358181E1  3.13983019E-2 -1.09784344E-5  1.73171207E-9-1.01646474E-13    2
  -4.08515814E4  -1.65316185E2   -2.9122988E0  1.15499474E-1 -7.77383345E-5    3
  2.42918652E-8-2.76461865E-12  -2.70423867E4   4.35409008E1                   4
XC8OOHD           -THERMH  16O   2C   8     G     300.0    5000.0  1392.0      1
   3.21829385E1  3.34910657E-2 -1.14949002E-5  1.78941509E-9-1.04032311E-13    2
  -3.72062466E4  -1.41565085E2  -2.59458309E0  1.19408325E-1 -9.39136518E-5    3
  3.82107666E-8-6.32488942E-12  -2.56185282E4   4.35185438E1                   4
YC8OOHD                 H  16O   2C   8     G     300.0    5000.0  1373.0      1
   3.41558645E1  3.34463432E-2 -1.18457087E-5  1.88275172E-9-1.11041827E-13    2
  -3.84339939E4  -1.54277931E2  -1.08313992E0  1.07128205E-1 -6.73920076E-5    3
  1.94530715E-8-1.99383428E-12  -2.53502242E4   3.80197023E1                   4
A(OOH)ETRAD       -THERMH  16O   3C   8     G     300.0    5000.0  1464.0      1
   2.57292534E1  3.90374319E-2 -1.26216368E-5  1.88673043E-9-1.06620634E-13    2
  -5.83166724E4  -1.14804733E2  -9.52023285E0  1.23853201E-1 -8.82493456E-5    3
  3.13396732E-8-4.29610264E-12  -4.66925047E4    7.3007874E1                   4
A(OOH)ETRBC             H  16O   3C   8     G     300.0    5000.0  1398.0      1
   3.44813581E1  3.45836896E-2 -1.19824144E-5   1.8771001E-9-1.09609162E-13    2
   -5.5425381E4  -1.56884548E2  -2.25504619E0  1.17022179E-1 -7.99925218E-5    3
  2.61191144E-8-3.20636456E-12  -4.25285666E4   4.12791054E1                   4
B(OOH)ETRAC             H  16O   3C   8     G     300.0    5000.0  1404.0      1
   3.33374575E1  3.61760718E-2 -1.24832991E-5  1.95041286E-9-1.13686118E-13    2
  -6.67400813E4  -1.53816827E2  -5.27925931E0  1.22496687E-1 -8.28127413E-5    3
  2.63433755E-8-3.06099368E-12  -5.31996173E4   5.45246139E1                   4
C(OOH)ETRAB       -THERMH  16O   3C   8     G     300.0    5000.0  1412.0      1
   3.33668619E1  3.51212381E-2 -1.19849708E-5  1.85857033E-9-1.07767791E-13    2
  -5.77270449E4  -1.52962919E2  -5.35022731E0  1.28133709E-1 -9.61428385E-5    3
  3.58329017E-8-5.25760502E-12  -4.47884385E4   5.36404808E1                   4
A(OOH)ETRCD             H  16O   3C   8     G     300.0    5000.0  1390.0      1
   3.45922452E1  3.48904869E-2 -1.21782695E-5  1.91715315E-9 -1.1232832E-13    2
  -5.37115502E4  -1.57168395E2    -2.148037E0  1.13581404E-1 -7.23331858E-5    3
  2.07188789E-8-1.96308667E-12  -4.04369412E4   4.23512801E1                   4
C(OOH)ETRAD       -THERMH  16O   3C   8     G     300.0    5000.0  1402.0      1
   3.32868917E1   3.6821626E-2 -1.27447012E-5  1.99519961E-9-1.16453634E-13    2
  -6.73825809E4  -1.58307161E2  -7.62188372E0  1.30521887E-1  -9.2274535E-5    3
  3.15091982E-8-4.12019967E-12  -5.32318846E4    6.1653915E1                   4
D(OOH)ETRAC       -THERMH  16O   3C   8     G     300.0    5000.0  1391.0      1
   3.32091319E1  3.66262603E-2 -1.27161506E-5  1.99500262E-9-1.16621224E-13    2
  -6.49811354E4  -1.51941158E2  -5.91691377E0  1.21358002E-1 -7.84671231E-5    3
  2.30308251E-8-2.28869568E-12  -5.09679508E4   6.01536436E1                   4
B(OOH)ETRCD       -THERMH  16O   3C   8     G     300.0    5000.0  1401.0      1
   3.48449499E1   3.4141933E-2 -1.18018057E-5  1.84606163E-9-1.07689589E-13    2
  -5.54915048E4  -1.59402606E2  -1.80652351E0  1.16028324E-1  -7.8581145E-5    3
  2.50916168E-8-2.94193424E-12  -4.26236509E4   3.83718859E1                   4
C(OOH)ETRBD       -THERMH  16O   3C   8     G     300.0    5000.0  1412.0      1
   3.33668619E1  3.51212381E-2 -1.19849708E-5  1.85857033E-9-1.07767791E-13    2
  -5.77270449E4  -1.53375601E2  -5.35022731E0  1.28133709E-1 -9.61428385E-5    3
  3.58329017E-8-5.25760502E-12  -4.47884385E4   5.32277983E1                   4
D(OOH)ETRBC       -THERMH  16O   3C   8     G     300.0    5000.0  1398.0      1
   3.44813581E1  3.45836896E-2 -1.19824144E-5   1.8771001E-9-1.09609162E-13    2
   -5.5425381E4  -1.57297231E2  -2.25504619E0  1.17022179E-1 -7.99925218E-5    3
  2.61191144E-8-3.20636456E-12  -4.25285666E4    4.0866423E1                   4
C(OOH)ETRDD       -THERMH  16O   3C   8     G     300.0    5000.0  1406.0      1
     3.322487E1   3.5654448E-2 -1.22593156E-5  1.91074694E-9 -1.1118249E-13    2
  -5.58828208E4  -1.52140224E2  -5.22194793E0  1.24874066E-1 -8.93762013E-5    3
  3.12567535E-8-4.23456516E-12  -4.27048432E4   5.41626442E1                   4
D(OOH)ETRCD       -THERMH  16O   3C   8     G     300.0    5000.0  1390.0      1
   3.45922452E1  3.48904869E-2 -1.21782695E-5  1.91715315E-9 -1.1232832E-13    2
  -5.37115502E4  -1.57576044E2    -2.148037E0  1.13581404E-1 -7.23331858E-5    3
  2.07188789E-8-1.96308667E-12  -4.04369412E4   4.19436303E1                   4
A(OOH)ETRAC       -THERMH  16O   3C   8     G     300.0    5000.0  1391.0      1
   3.32091319E1  3.66262603E-2 -1.27161506E-5  1.99500262E-9-1.16621224E-13    2
  -6.49811354E4  -1.51941158E2  -5.91691377E0  1.21358002E-1 -7.84671231E-5    3
  2.30308251E-8-2.28869568E-12  -5.09679508E4   6.01536436E1                   4
C(OOH)ETRAA       -THERMH  16O   3C   8     G     300.0    5000.0  1406.0      1
     3.322487E1   3.5654448E-2 -1.22593156E-5  1.91074694E-9 -1.1118249E-13    2
  -5.58828208E4  -1.51732575E2  -5.22194793E0  1.24874066E-1 -8.93762013E-5    3
  3.12567535E-8-4.23456516E-12  -4.27048432E4   5.45702939E1                   4
C8(OOH)AA-CO2     -THERMH  17O   6C   8     G     300.0    5000.0  1381.0      1
   4.34255423E1    3.622129E-2 -1.28095806E-5  2.03387809E-9-1.19868049E-13    2
  -6.33720722E4   -1.9274796E2   3.28497865E0  1.24366282E-1  -8.4645188E-5    3
  2.78085048E-8-3.54827449E-12  -4.89177364E4   2.47529124E1                   4
!!!3rd O2
C8(OOH)AC-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1381.0      1
   4.34255423E1    3.622129E-2 -1.28095806E-5  2.03387809E-9-1.19868049E-13    2
  -6.23655296E4   -1.9274796E2   3.28497865E0  1.24366282E-1  -8.4645188E-5    3
  2.78085048E-8-3.54827449E-12  -4.79111939E4   2.47529124E1                   4
C8(OOH)BC-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.37797316E1  3.53117874E-2 -1.23602007E-5  1.94953066E-9-1.14379807E-13    2
  -6.41760486E4  -1.95135233E2   3.19789541E0  1.28577444E-1 -9.32254874E-5    3
  3.34355977E-8-4.76819268E-12  -5.00302915E4   2.31952227E1                   4
C8(OOH)AD-CO2     -THERMH  17O   6C   8     G     300.0    5000.0  1381.0      1
   4.34255423E1    3.622129E-2 -1.28095806E-5  2.03387809E-9-1.19868049E-13    2
  -6.33720722E4  -1.92058479E2   3.28497865E0  1.24366282E-1  -8.4645188E-5    3
  2.78085048E-8-3.54827449E-12  -4.89177364E4    2.5442394E1                   4
C8(OOH)CD-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1381.0      1
   4.34255423E1    3.622129E-2 -1.28095806E-5  2.03387809E-9-1.19868049E-13    2
  -6.23655296E4  -1.92058479E2   3.28497865E0  1.24366282E-1  -8.4645188E-5    3
  2.78085048E-8-3.54827449E-12  -4.79111939E4    2.5442394E1                   4
C8(OOH)AA-DO2     -THERMH  17O   6C   8     G     300.0    5000.0  1380.0      1
   4.35769597E1  3.61882198E-2 -1.28207183E-5   2.0380772E-9 -1.2021567E-13    2
  -5.93945063E4  -1.90407104E2   2.14910685E0  1.26871411E-1 -8.61135385E-5    3
  2.79045944E-8 -3.4606903E-12  -4.44753648E4   3.41252805E1                   4
C8(OOH)AD-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1380.0      1
   4.35769597E1  3.61882198E-2 -1.28207183E-5   2.0380772E-9 -1.2021567E-13    2
  -5.93945063E4  -1.89717622E2   2.14910685E0  1.26871411E-1 -8.61135385E-5    3
  2.79045944E-8 -3.4606903E-12  -4.44753648E4   3.48147621E1                   4
C8(OOH)AB-DO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.38708576E1  3.53981701E-2 -1.24269317E-5  1.96384986E-9-1.15373293E-13    2
  -6.11902227E4  -1.92474351E2   2.08964737E0   1.3098785E-1 -9.46345787E-5    3
  3.35670747E-8-4.70273115E-12  -4.65990713E4   3.24355405E1                   4
C8(OOH)BD-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.38708576E1  3.53981701E-2 -1.24269317E-5  1.96384986E-9-1.15373293E-13    2
  -6.11902227E4  -1.92474351E2   2.08964737E0   1.3098785E-1 -9.46345787E-5    3
  3.35670747E-8-4.70273115E-12  -4.65990713E4   3.24355405E1                   4
C8(OOH)AD-DO2     -THERMH  17O   6C   8     G     300.0    5000.0  1380.0      1
   4.35769597E1  3.61882198E-2 -1.28207183E-5   2.0380772E-9 -1.2021567E-13    2
  -5.93945063E4  -1.90407104E2   2.14910685E0  1.26871411E-1 -8.61135385E-5    3
  2.79045944E-8 -3.4606903E-12  -4.44753648E4   3.41252805E1                   4
C8(OOH)DD-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1380.0      1
   4.35769597E1  3.61882198E-2 -1.28207183E-5   2.0380772E-9 -1.2021567E-13    2
  -5.93945063E4  -1.91096586E2   2.14910685E0  1.26871411E-1 -8.61135385E-5    3
  2.79045944E-8 -3.4606903E-12  -4.44753648E4   3.34357989E1                   4
C8(OOH)AB-CO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.37797316E1  3.53117874E-2 -1.23602007E-5  1.94953066E-9-1.14379807E-13    2
  -6.51825912E4  -1.95135233E2   3.19789541E0  1.28577444E-1 -9.32254874E-5    3
  3.34355977E-8-4.76819268E-12   -5.1036834E4   2.31952227E1                   4
C8(OOH)AC-BO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.37797316E1  3.53117874E-2 -1.23602007E-5  1.94953066E-9-1.14379807E-13    2
  -6.41760486E4  -1.95135233E2   3.19789541E0  1.28577444E-1 -9.32254874E-5    3
  3.34355977E-8-4.76819268E-12  -5.00302915E4   2.31952227E1                   4
C8(OOH)AC-DO2     -THERMH  17O   6C   8     G     300.0    5000.0  1381.0      1
   4.34255423E1    3.622129E-2 -1.28095806E-5  2.03387809E-9-1.19868049E-13    2
  -6.23655296E4  -1.92058479E2   3.28497865E0  1.24366282E-1  -8.4645188E-5    3
  2.78085048E-8-3.54827449E-12  -4.79111939E4    2.5442394E1                   4
C8(OOH)BC-DO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.37797316E1  3.53117874E-2 -1.23602007E-5  1.94953066E-9-1.14379807E-13    2
  -6.41760486E4  -1.95542882E2   3.19789541E0  1.28577444E-1 -9.32254874E-5    3
  3.34355977E-8-4.76819268E-12  -5.00302915E4    2.2787573E1                   4
C8(OOH)BD-CO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.37797316E1  3.53117874E-2 -1.23602007E-5  1.94953066E-9-1.14379807E-13    2
  -6.51825912E4  -1.95542882E2   3.19789541E0  1.28577444E-1 -9.32254874E-5    3
  3.34355977E-8-4.76819268E-12   -5.1036834E4    2.2787573E1                   4
C8(OOH)CD-BO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.37797316E1  3.53117874E-2 -1.23602007E-5  1.94953066E-9-1.14379807E-13    2
  -6.41760486E4  -1.95542882E2   3.19789541E0  1.28577444E-1 -9.32254874E-5    3
  3.34355977E-8-4.76819268E-12  -5.00302915E4    2.2787573E1                   4
C8(OOH)CD-DO2     -THERMH  17O   6C   8     G     300.0    5000.0  1381.0      1
   4.34255423E1    3.622129E-2 -1.28095806E-5  2.03387809E-9-1.19868049E-13    2
  -6.23655296E4  -1.93845092E2   3.28497865E0  1.24366282E-1  -8.4645188E-5    3
  2.78085048E-8-3.54827449E-12  -4.79111939E4    2.3655781E1                   4
C8(OOH)DD-CO2     -THERMH  17O   6C   8     G     300.0    5000.0  1381.0      1
   4.34255423E1    3.622129E-2 -1.28095806E-5  2.03387809E-9-1.19868049E-13    2
  -6.33720722E4  -1.93845092E2   3.28497865E0  1.24366282E-1  -8.4645188E-5    3
  2.78085048E-8-3.54827449E-12  -4.89177364E4    2.3655781E1                   4
C8(OOH)AA-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1380.0      1
   4.35769597E1  3.61882198E-2 -1.28207183E-5   2.0380772E-9 -1.2021567E-13    2
  -5.93945063E4  -1.91096586E2   2.14910685E0  1.26871411E-1 -8.61135385E-5    3
  2.79045944E-8 -3.4606903E-12  -4.44753648E4   3.34357989E1                   4
C8(OOH)AA-BO2     -THERMH  17O   6C   8     G     300.0    5000.0  1400.0      1
   4.30366994E1  3.41197857E-2 -1.15570107E-5   1.7841815E-9-1.03160055E-13    2
  -5.96423291E4  -1.97772237E2   1.44068477E0  1.38007364E-1 -1.10700934E-4    3
  4.46354856E-8-7.15972351E-12  -4.60981083E4   2.28596546E1                   4
C8(OOH)AB-AO2     -THERMH  17O   6C   8     G     300.0    5000.0  1371.0      1
   4.80235448E1  3.29715097E-2 -1.18433185E-5  1.89994244E-9-1.12777266E-13    2
  -6.41904604E4  -2.05285638E2   2.37521455E0  1.32589272E-1 -9.15450976E-5    3
   2.9439362E-8-3.53348972E-12  -4.77765917E4   4.21402999E1                   4
C8(OOH)AD-BO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.38708576E1  3.53981701E-2 -1.24269317E-5  1.96384986E-9-1.15373293E-13    2
  -6.11902227E4  -1.92474351E2   2.08964737E0   1.3098785E-1 -9.46345787E-5    3
  3.35670747E-8-4.70273115E-12  -4.65990713E4   3.24355405E1                   4
C8(OOH)BD-DO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.38708576E1  3.53981701E-2 -1.24269317E-5  1.96384986E-9-1.15373293E-13    2
  -6.11902227E4  -1.93571482E2   2.08964737E0   1.3098785E-1 -9.46345787E-5    3
  3.35670747E-8-4.70273115E-12  -4.65990713E4   3.13384091E1                   4
C8(OOH)DD-BO2     -THERMH  17O   6C   8     G     300.0    5000.0  1385.0      1
   4.38708576E1  3.53981701E-2 -1.24269317E-5  1.96384986E-9-1.15373293E-13    2
  -6.11902227E4  -1.94260964E2   2.08964737E0   1.3098785E-1 -9.46345787E-5    3
  3.35670747E-8-4.70273115E-12  -4.65990713E4   3.06489275E1                   4
C8(OOH)AC-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1397.0      1
   3.71216132E1  3.59215132E-2 -1.23850601E-5  1.93339569E-9-1.12608386E-13    2
  -7.70901947E4  -1.59311447E2   2.08061129E0  1.19807379E-1 -8.95495739E-5    3
  3.43741605E-8-5.36333666E-12  -6.51693027E4   2.80848702E1                   4
C8(OOH)AC-KETB    -THERMH  16O   5C   8     G     300.0    5000.0  1389.0      1
   3.89450549E1  3.50191305E-2  -1.2223282E-5  1.92423222E-9-1.12742227E-13    2
  -8.00978704E4  -1.70508066E2   1.97935184E0  1.15061172E-1 -7.47569931E-5    3
  2.23546943E-8-2.34668024E-12   -6.6808036E4   2.99625113E1                   4
C8(OOH)CD-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1397.0      1
   3.71216132E1  3.59215132E-2 -1.23850601E-5  1.93339569E-9-1.12608386E-13    2
  -7.70901947E4  -1.58621966E2   2.08061129E0  1.19807379E-1 -8.95495739E-5    3
  3.43741605E-8-5.36333666E-12  -6.51693027E4   2.87743518E1                   4
C8(OOH)AC-KETD    -THERMH  16O   5C   8     G     300.0    5000.0  1369.0      1
   4.25337227E1  3.31583413E-2 -1.18534254E-5  1.89557112E-9-1.12272897E-13    2
   -7.7564811E4  -1.91914522E2    1.8091603E0   1.1686873E-1 -7.16507928E-5    3
  1.83010286E-8-1.22176146E-12  -6.24539736E4   3.05706323E1                   4
C8(OOH)AD-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1396.0      1
   3.71966214E1  3.59954195E-2 -1.24421315E-5  1.94568351E-9-1.13463477E-13    2
  -7.41041897E4  -1.55875918E2   1.00494284E0  1.21896483E-1 -9.04203367E-5    3
    3.415595E-8-5.21916051E-12  -6.17376175E4   3.79038476E1                   4
C8(OOH)AA-KETD    -THERMH  16O   5C   8     G     300.0    5000.0  1374.0      1
   3.95201591E1  3.50360655E-2 -1.23444817E-5  1.95544536E-9 -1.1506595E-13    2
  -7.51489238E4  -1.72105023E2   2.95944707E0  1.09355624E-1 -6.43760441E-5    3
   1.5578362E-8-8.62020448E-13  -6.14853198E4   2.79497528E1                   4
C8(OOH)AD-KETB    -THERMH  16O   5C   8     G     300.0    5000.0  1397.0      1
   3.34569542E1  3.85587156E-2 -1.31883034E-5  2.04758383E-9-1.18800963E-13    2
  -7.65977467E4   -1.3548592E2   2.76079254E0  1.07623535E-1 -7.15476801E-5    3
  2.40587141E-8-3.24412694E-12  -6.57050014E4   3.02542201E1                   4
C8(OOH)AD-KETD    -THERMH  16O   5C   8     G     300.0    5000.0  1374.0      1
   3.95201591E1  3.50360655E-2 -1.23444817E-5  1.95544536E-9 -1.1506595E-13    2
  -7.51489238E4  -1.72105023E2   2.95944707E0  1.09355624E-1 -6.43760441E-5    3
   1.5578362E-8-8.62020448E-13  -6.14853198E4   2.79497528E1                   4
C8(OOH)DD-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1396.0      1
   3.71966214E1  3.59954195E-2 -1.24421315E-5  1.94568351E-9-1.13463477E-13    2
  -7.41041897E4  -1.57254881E2   1.00494284E0  1.21896483E-1 -9.04203367E-5    3
    3.415595E-8-5.21916051E-12  -6.17376175E4   3.65248843E1                   4
C8(OOH)BC-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1399.0      1
   3.90234682E1  3.43509171E-2 -1.18568726E-5  1.85265838E-9-1.07985714E-13    2
   -7.9852824E4  -1.71378274E2   2.25615469E0   1.2078796E-1 -8.85649069E-5    3
  3.23596281E-8-4.69135137E-12   -6.7293411E4   2.56326789E1                   4
C8(OOH)CD-KETB    -THERMH  16O   5C   8     G     300.0    5000.0  1389.0      1
   3.89450549E1  3.50191305E-2  -1.2223282E-5  1.92423222E-9-1.12742227E-13    2
  -8.00978704E4  -1.70920749E2   1.97935184E0  1.15061172E-1 -7.47569931E-5    3
  2.23546943E-8-2.34668024E-12   -6.6808036E4   2.95498289E1                   4
C8(OOH)BC-KETD    -THERMH  16O   5C   8     G     300.0    5000.0  1377.0      1
   4.26736264E1  3.26730311E-2 -1.16018471E-5   1.8472925E-9-1.09089675E-13    2
  -7.93230065E4  -1.94264277E2   1.93588405E0  1.20257742E-1 -7.93346752E-5    3
  2.36509186E-8-2.43567356E-12  -6.46076506E4   2.69003107E1                   4
C8(OOH)CD-KETD    -THERMH  16O   5C   8     G     300.0    5000.0  1369.0      1
   4.25337227E1  3.31583413E-2 -1.18534254E-5  1.89557112E-9-1.12272897E-13    2
   -7.7564811E4  -1.93011653E2    1.8091603E0   1.1686873E-1 -7.16507928E-5    3
  1.83010286E-8-1.22176146E-12  -6.24539736E4    2.9473501E1                   4
C8(OOH)AA-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1396.0      1
   3.71966214E1  3.59954195E-2 -1.24421315E-5  1.94568351E-9-1.13463477E-13    2
  -7.41041897E4  -1.57254881E2   1.00494284E0  1.21896483E-1 -9.04203367E-5    3
    3.415595E-8-5.21916051E-12  -6.17376175E4   3.65248843E1                   4
C8(OOH)AA-KETB    -THERMH  16O   5C   8     G     300.0    5000.0  1397.0      1
   3.34569542E1  3.85587156E-2 -1.31883034E-5  2.04758383E-9-1.18800963E-13    2
  -7.65977467E4  -1.36175402E2   2.76079254E0  1.07623535E-1 -7.15476801E-5    3
  2.40587141E-8-3.24412694E-12  -6.57050014E4   2.95647385E1                   4
C8(OOH)AB-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1401.0      1
   3.78934531E1  3.50658467E-2 -1.20475649E-5  1.87645957E-9-1.09125801E-13    2
  -7.61663656E4  -1.61185255E2   1.39667172E0   1.2338322E-1 -9.37532922E-5    3
   3.6190997E-8-5.61840343E-12  -6.39180295E4   3.35377708E1                   4
C8(OOH)BD-KETA    -THERMH  16O   5C   8     G     300.0    5000.0  1401.0      1
   3.78934531E1  3.50658467E-2 -1.20475649E-5  1.87645957E-9-1.09125801E-13    2
  -7.61663656E4  -1.61185255E2   1.39667172E0   1.2338322E-1 -9.37532922E-5    3
   3.6190997E-8-5.61840343E-12  -6.39180295E4   3.35377708E1                   4
C8(OOH)AB-KETD    -THERMH  16O   5C   8     G     300.0    5000.0  1381.0      1
   3.98235238E1  3.42680922E-2 -1.19663711E-5  1.88461074E-9-1.10462623E-13    2
   -7.6961435E4  -1.74248117E2   3.24812531E0  1.11935815E-1  -7.0634068E-5    3
  1.98872905E-8-1.81783032E-12   -6.3661996E4   2.46453059E1                   4
C8(OOH)DD-KETB    -THERMH  16O   5C   8     G     300.0    5000.0  1372.0      1
   3.83171998E1  3.55630674E-2 -1.24175287E-5  1.95557584E-9-1.14619085E-13    2
  -7.82085707E4  -1.67177463E2   3.68793634E0  1.04358278E-1 -5.80603939E-5    3
  1.21501123E-8-1.62314295E-13  -6.51382112E4   2.28228748E1                   4
C8(OOH)BD-KETD    -THERMH  16O   5C   8     G     300.0    5000.0  1381.0      1
   3.98235238E1  3.42680922E-2 -1.19663711E-5  1.88461074E-9-1.10462623E-13    2
   -7.6961435E4  -1.75345248E2   3.24812531E0  1.11935815E-1  -7.0634068E-5    3
  1.98872905E-8-1.81783032E-12   -6.3661996E4   2.35481745E1                   4
IC6H13CHO-B       -THERMH  14O   1C   7     G     300.0    5000.0  1395.0      1
   2.46801791E1  3.05595044E-2 -1.04858321E-5  1.63162811E-9 -9.4817809E-14    2
  -4.65754535E4  -1.04698688E2  -2.06186556E0  9.26532225E-2 -6.54344358E-5    3
  2.37101741E-8-3.49699025E-12   -3.7273465E4   3.90181366E1                   4
IC6H13CO-B        -THERMH  13O   1C   7     G     300.0    5000.0  1395.0      1
   2.43249509E1  2.83881621E-2 -9.75334056E-6  1.51900476E-9-8.83292303E-14    2
  -2.76437026E4  -1.01160179E2  -1.36348633E0  8.81636722E-2 -6.26953163E-5    3
  2.27706971E-8 -3.3532506E-12  -1.87338419E4   3.68275476E1                   4
AC6H12CHO-B       -THERMH  13O   1C   7     G     300.0    5000.0  1395.0      1
   2.42514472E1  2.84438313E-2  -9.7707766E-6  1.52152073E-9-8.84667232E-14    2
  -2.15083432E4  -9.95417905E1  -1.27560491E0  8.80197598E-2 -6.28266939E-5    3
  2.29973864E-8-3.42459126E-12  -1.26633185E4   3.75312437E1                   4
CC6H12CHO-B       -THERMH  13O   1C   7     G     300.0    5000.0  1382.0      1
   2.48743929E1  2.69185384E-2 -9.05081747E-6   1.3909734E-9-8.01916208E-14    2
  -2.31625239E4  -1.02607483E2  -1.11832797E0  8.38509118E-2 -5.40513965E-5    3
  1.62768539E-8-1.73372622E-12  -1.39236337E4   3.80574211E1                   4
DC6H12CHO-B       -THERMH  13O   1C   7     G     300.0    5000.0  1382.0      1
   2.48743929E1  2.69185384E-2 -9.05081747E-6   1.3909734E-9-8.01916208E-14    2
  -2.31625239E4  -1.02607483E2  -1.11832797E0  8.38509118E-2 -5.40513965E-5    3
  1.62768539E-8-1.73372622E-12  -1.39236337E4   3.80574211E1                   4
EC6H12CHO-B       -THERMH  13O   1C   7     G     300.0    5000.0  1395.0      1
   2.42514472E1  2.84438313E-2  -9.7707766E-6  1.52152073E-9-8.84667232E-14    2
  -2.15083432E4  -9.95417905E1  -1.27560491E0  8.80197598E-2 -6.28266939E-5    3
  2.29973864E-8-3.42459126E-12  -1.26633185E4   3.75312437E1                   4
IC6H13CHO-D       -THERMH  14O   1C   7     G     300.0    5000.0  1393.0      1
   2.33841323E1  3.17477398E-2 -1.09128332E-5  1.69988637E-9-9.88517244E-14    2
  -4.61923369E4  -9.59715359E1   -1.4610599E0  8.75877547E-2 -5.84960853E-5    3
  2.00522034E-8-2.81158003E-12  -3.73170744E4   3.82873196E1                   4
IC6H13CO-D        -THERMH  13O   1C   7     G     300.0    5000.0  1393.0      1
    2.2968655E1  2.96146721E-2 -1.01906719E-5   1.5885746E-9 -9.2427278E-14    2
  -2.72309483E4  -9.20709572E1 -6.86869182E-1  8.27820874E-2 -5.54303759E-5    3
  1.89761388E-8-2.64754131E-12  -1.87886291E4   3.57456884E1                   4
AC6H12CHO-D       -THERMH  13O   1C   7     G     300.0    5000.0  1393.0      1
   2.29422764E1   2.9649703E-2 -1.02052918E-5  1.59110021E-9-9.25835423E-14    2
  -2.11195896E4  -9.07378844E1 -6.20686634E-1  8.27433784E-2 -5.56197091E-5    3
   1.9197776E-8-2.71224209E-12  -1.27157934E4   3.65442569E1                   4
BC6H12CHO-D       -THERMH  13O   1C   7     G     300.0    5000.0  1384.0      1
   2.14175606E1   3.0949557E-2 -1.06544077E-5  1.66125209E-9-9.66692969E-14    2
    -2.303074E4  -8.18874481E1   2.54734237E0  6.58788027E-2 -3.13192641E-5    3
   4.9836727E-9  2.5851307E-13   -1.5514471E4   2.27833491E1                   4
CC6H12CHO-D       -THERMH  13O   1C   7     G     300.0    5000.0  1377.0      1
    2.3649657E1  2.78646436E-2 -9.35641593E-6  1.43651362E-9-8.27557401E-14    2
  -2.27807364E4  -9.42101917E1 -5.82108737E-1  7.90543012E-2 -4.75520142E-5    3
  1.28281319E-8-1.07735977E-12  -1.39564582E4   3.76321513E1                   4
DC6H12CHO-D       -THERMH  13O   1C   7     G     300.0    5000.0  1389.0      1
   2.32412991E1  2.94013946E-2 -1.01210871E-5  1.57812201E-9-9.18349976E-14    2
  -2.67973204E4  -9.47460288E1  7.18129174E-1  7.97814021E-2 -5.30878535E-5    3
  1.83105964E-8-2.61673962E-12  -1.86909366E4   2.71126725E1                   4
EC6H12CHO-D       -THERMH  13O   1C   7     G     300.0    5000.0  1393.0      1
   2.29422764E1   2.9649703E-2 -1.02052918E-5  1.59110021E-9-9.25835423E-14    2
  -2.11195896E4  -9.07378844E1 -6.20686634E-1  8.27433784E-2 -5.56197091E-5    3
   1.9197776E-8-2.71224209E-12  -1.27157934E4   3.65442569E1                   4
IC3H7COC3H7-I     96-TRMH  14O   1C   7     G     300.0    5000.0  1392.0      1
   2.33276646E1  3.20863768E-2  -1.1093781E-5  1.73479615E-9-1.01153632E-13    2
  -5.00583595E4  -9.78174337E1    -3.775851E0  9.59989717E-2 -6.97829151E-5    3
   2.6775995E-8-4.27869423E-12  -4.06227575E4   4.76721021E1                   4
IC3H7COC3H6-I     96-TRMH  13O   1C   7     G     300.0    5000.0  1392.0      1
   2.29197125E1  2.99259872E-2 -1.03576174E-5    1.620826E-9-9.45553922E-14    2
  -2.49969691E4  -9.20831444E1   -3.0834734E0  9.17572601E-2 -6.77286761E-5    3
  2.63790309E-8-4.27043261E-12  -1.59977356E4   4.73147359E1                   4
IC3H7COC3H6-T     96-TRMH  13O   1C   7     G     300.0    5000.0  1390.0      1
   2.30231691E1  2.97793536E-2 -1.02936733E-5  1.60942385E-9 -9.3833058E-14    2
  -3.05668554E4    -9.557685E1 -6.60479235E-1   8.3843017E-2 -5.79348944E-5    3
  2.10237414E-8-3.18960231E-12  -2.21318078E4   3.22077356E1                   4
TC4H9COC2H5       -THERMH  14O   1C   7     G     300.0    5000.0  1392.0      1
   2.43139145E1   3.0998619E-2 -1.06645066E-5  1.66226165E-9-9.67097097E-14    2
  -5.03935537E4    -1.030854E2  -2.34985894E0  9.42069281E-2  -6.8814038E-5    3
  2.64112105E-8 -4.1987807E-12  -4.11774516E4   3.98705615E1                   4
TC4H8COC2H5       -THERMH  13O   1C   7     G     300.0    5000.0  1392.0      1
   2.38716283E1  2.88997528E-2 -9.95637975E-6  1.55335028E-9 -9.0432788E-14    2
  -2.53210694E4  -9.78558263E1  -1.56581379E0  8.96020058E-2 -6.62908845E-5    3
  2.57733725E-8-4.14672273E-12  -1.65673043E4   3.83858873E1                   4
TC4H9COC2H4S      6-THRMH  13O   1C   7     G     300.0    5000.0  1394.0      1
   2.44311775E1  2.85604759E-2 -9.86991067E-6  1.54307557E-9-8.99661771E-14    2
   -3.0261203E4  -1.04211609E2  -2.86500441E0  9.45587402E-2 -7.18382514E-5    3
  2.84095909E-8-4.60883988E-12  -2.09863386E4   4.16255786E1                   4
TC4H9COC2H4P      6-THRMH  13O   1C   7     G     300.0    5000.0  1392.0      1
   2.38716283E1  2.88997528E-2 -9.95637975E-6  1.55335028E-9 -9.0432788E-14    2
  -2.53210694E4  -9.78558263E1  -1.56581379E0  8.96020058E-2 -6.62908845E-5    3
  2.57733725E-8-4.14672273E-12  -1.65673043E4   3.83858873E1                   4
NEOC5H11COCH3     96-TRMH  14O   1C   7     G     300.0    5000.0  1390.0      1
   2.43486596E1  3.06917909E-2 -1.05004224E-5  1.63082524E-9-9.46511062E-14    2
   -5.0735231E4  -1.03291547E2  -1.46390909E0   9.0568595E-2 -6.37865551E-5    3
  2.33501459E-8-3.52135242E-12  -4.17111247E4   3.55185522E1                   4
NEOC5H10COCH3     96-TRMH  13O   1C   7     G     300.0    5000.0  1390.0      1
   2.39256329E1  2.85722552E-2 -9.78428852E-6  1.52057894E-9-8.82932128E-14    2
  -2.56709397E4  -9.81734931E1 -6.89460021E-1  8.60015804E-2 -6.12862996E-5    3
  2.27088339E-8-3.46573783E-12  -1.70995937E4   3.40782918E1                   4
TC4H9CHCOCH3      6-THRMH  13O   1C   7     G     300.0    5000.0  1394.0      1
   2.42666643E1  2.85991118E-2 -9.86099273E-6  1.53937608E-9-8.96576896E-14    2
  -3.05411954E4  -1.03331843E2  -1.85925046E0  9.03847676E-2 -6.61632235E-5    3
  2.50957244E-8-3.90449871E-12  -2.15371579E4   3.67240737E1                   4
NEOC5H11COCH2     96-TRMH  13O   1C   7     G     300.0    5000.0  1390.0      1
   2.39256329E1  2.85722552E-2 -9.78428852E-6  1.52057894E-9-8.82932128E-14    2
  -2.56709397E4  -9.81734931E1 -6.89460021E-1  8.60015804E-2 -6.12862996E-5    3
  2.27088339E-8-3.46573783E-12  -1.70995937E4   3.40782918E1                   4
NEOC6H13CHO       -THERMH  14O   1C   7     G     300.0    5000.0  1390.0      1
     2.489696E1  2.98733076E-2 -1.01450449E-5  1.56812987E-9-9.07200142E-14    2
   -4.7062838E4  -1.05562716E2  -1.07662033E0  9.06315437E-2 -6.44711218E-5    3
  2.36973093E-8-3.55917227E-12  -3.80746419E4   3.38641362E1                   4
NEOC6H13CO        -THERMH  13O   1C   7     G     300.0    5000.0  1390.0      1
   2.44942743E1  2.77558577E-2  -9.4340209E-6  1.45914685E-9-8.44547842E-14    2
  -2.81132437E4  -1.01752249E2  -2.8770963E-1  8.57649866E-2 -6.12854159E-5    3
  2.25486149E-8-3.38121978E-12  -1.95488023E4   3.12520715E1                   4
FC6H12CHO         -THERMH  13O   1C   7     G     300.0    5000.0  1390.0      1
    2.4479027E1  2.77234012E-2 -9.41318956E-6  1.45492224E-9-8.41703414E-14    2
  -2.19960556E4  -1.00455738E2    -2.96237E-1  8.60441847E-2 -6.19619487E-5    3
  2.30482594E-8-3.50036387E-12   -1.3464041E4   3.24008289E1                   4
GC6H12CHO         -THERMH  13O   1C   7     G     300.0    5000.0  1379.0      1
   2.47015833E1  2.71261493E-2 -9.13422284E-6  1.40508985E-9-8.10539274E-14    2
  -2.35689644E4  -1.01453485E2  2.26026624E-1  8.03948916E-2 -5.12654503E-5    3
  1.55470699E-8 -1.7261404E-12  -1.47828461E4   3.12101951E1                   4
HC6H12CHO         -THERMH  13O   1C   7     G     300.0    5000.0  1395.0      1
   2.46367754E1  2.81015703E-2 -9.64943101E-6     1.50224E-9-8.73303956E-14    2
  -2.68070892E4  -1.04624439E2  -1.49153599E0  9.06166557E-2 -6.72533407E-5    3
   2.5823509E-8-4.05008952E-12  -1.78994662E4   3.51456906E1                   4
IC4H7COCH3        -THERMH  10O   1C   6     G     300.0    5000.0  1388.0      1
   1.83434395E1  2.44109312E-2 -8.44066563E-6  1.31997092E-9-7.69676934E-14    2
  -2.87734922E4  -6.84353349E1  3.45161845E-2   6.5024477E-2 -4.29538366E-5    3
  1.48194489E-8-2.14333203E-12  -2.21163912E4   3.07996675E1                   4
IC4H7COCH2        -THERMH   9O   1C   6     G     300.0    5000.0  1390.0      1
   1.89479328E1  2.14495345E-2 -7.44167879E-6   1.1664163E-9-6.81239978E-14    2
  -7.41585721E3  -7.21913218E1 -3.53963022E-1  6.78928719E-2 -5.13106907E-5    3
  2.05242684E-8-3.41203256E-12  -7.76525564E2   3.11124973E1                   4
IC3H5CHCOCH3      96-TRMH   9O   1C   6     G     300.0    5000.0  1390.0      1
    1.8584541E1  2.17712979E-2 -7.55624175E-6  1.18472459E-9-6.92089797E-14    2
  -8.68657098E3  -7.02588276E1 -5.58003073E-1  6.54550516E-2  -4.5684895E-5    3
  1.64019601E-8-2.42048198E-12  -1.90754088E3   3.29624279E1                   4
AC3H4CH2COCH3     -96-TMH   9O   1C   6     G     300.0    5000.0  1391.0      1
   1.87819321E1  2.19577231E-2 -7.60408813E-6  1.19041134E-9-6.94658765E-14    2
  -1.05343919E4  -7.09624946E1 -9.11540358E-1  6.96528187E-2  -5.2970839E-5    3
   2.1335836E-8-3.56619587E-12  -3.79565358E3   3.43197159E1                   4
XC7H13OOH-X1      96-TRMH  14O   2C   7     G     300.0    5000.0  1394.0      1
   2.66362046E1  3.11410133E-2 -1.07093968E-5  1.66864245E-9-9.70500546E-14    2
   -3.3451687E4   -1.0868956E2  7.76412273E-1  9.32733765E-2 -6.90302856E-5    3
  2.71131412E-8-4.42624208E-12  -2.45737159E4   2.96983529E1                   4
XC7H13O-X1        -THERMH  13O   1C   7     G     300.0    5000.0  1393.0      1
   2.30727261E1  2.95368852E-2 -1.00745564E-5  1.56133137E-9-9.04775996E-14    2
  -1.29725199E4  -9.30554662E1 -7.75300249E-1    8.496464E-2 -5.94662144E-5    3
  2.16918278E-8-3.26005551E-12  -4.65154069E3   3.51414119E1                   4
YC7H13OOH-X1      96-TRMH  14O   2C   7     G     300.0    5000.0  1393.0      1
   2.64186836E1  3.13780397E-2 -1.08030073E-5  1.68451079E-9-9.80255605E-14    2
  -3.47896774E4  -1.08001178E2   1.02249456E0  9.09767571E-2 -6.50991461E-5    3
  2.46035886E-8-3.87389704E-12  -2.59288402E4   2.84096505E1                   4
YC7H13O-X1        -THERMH  13O   1C   7     G     300.0    5000.0  1391.0      1
   2.25900151E1  2.99295397E-2 -1.02060513E-5  1.58143556E-9-9.16308406E-14    2
  -1.41654513E4  -9.07429884E1 -1.81317091E-1  8.13808255E-2 -5.43600432E-5    3
  1.87652595E-8 -2.6595904E-12  -6.06275977E3   3.22056507E1                   4
OC7H13OOH-N       7-THRMH  14O   2C   7     G     300.0    5000.0  1397.0      1
   2.74150209E1  3.04497504E-2 -1.04670931E-5  1.63063783E-9-9.48366783E-14    2
  -3.48277636E4  -1.15279505E2   -3.054845E-1  9.61949401E-2 -7.03532581E-5    3
  2.65693066E-8-4.09705497E-12  -2.53195779E4   3.32124833E1                   4
OC7H13O-N         -THERMH  13O   1C   7     G     300.0    5000.0  1396.0      1
   2.39390176E1  2.87225504E-2 -9.77892351E-6  1.51385879E-9-8.76662134E-14    2
  -1.46526171E4  -9.97092488E1  -2.66228512E0  9.33258885E-2 -7.03068767E-5    3
  2.75067837E-8-4.39060053E-12  -5.69431956E3   4.22270419E1                   4
XC7H13OOH-Z       6-THRMH  14O   2C   7     G     300.0    5000.0  1392.0      1
   2.77344809E1   3.0620893E-2 -1.06227239E-5  1.66488546E-9-9.72302336E-14    2
  -3.55197897E4  -1.16497773E2   -1.4850309E0  1.04030621E-1 -8.36343827E-5    3
  3.56106876E-8-6.23762247E-12  -2.57692851E4   3.88009911E1                   4
PC7H13OOH-O       7-THRMH  14O   2C   7     G     300.0    5000.0  1406.0      1
    2.8874728E1  2.87658684E-2 -9.79083754E-6  1.51536577E-9-8.77386311E-14    2
  -3.37434295E4  -1.24954947E2  -3.02722062E0  1.11019293E-1  -9.1782912E-5    3
  3.88307706E-8-6.58157021E-12  -2.35462632E4   4.34529948E1                   4
OC7H13OOH-Q       7-THRMH  14O   2C   7     G     300.0    5000.0  1398.0      1
   2.75660499E1  3.03391648E-2 -1.04316827E-5  1.62530194E-9-9.45307884E-14    2
  -3.45006038E4  -1.15756154E2 -7.90734105E-1  1.00002634E-1  -7.7000275E-5    3
  3.09783801E-8 -5.1029252E-12  -2.49866577E4   3.53369865E1                   4
OC7H13O-Q         -THERMH  13O   1C   7     G     300.0    5000.0  1392.0      1
   2.48114551E1  2.73357475E-2 -9.17594314E-6  1.40814702E-9-8.10840729E-14    2
  -1.43009513E4  -1.05674605E2  -2.40308163E0  9.16558423E-2 -6.66066314E-5    3
  2.44184717E-8-3.57059788E-12  -5.04996482E3   4.00121981E1                   4
XC7H13OOH-Y2      96-TRMH  14O   2C   7     G     300.0    5000.0  1397.0      1
   2.67879504E1  3.07897437E-2 -1.05385579E-5  1.63676557E-9-9.49819719E-14    2
  -3.66745351E4  -1.11694404E2  9.22602794E-1  9.45450815E-2  -7.2093738E-5    3
  2.92248746E-8-4.89592286E-12  -2.79723024E4   2.61235641E1                   4
XC7H13O-Y2        -THERMH  13O   1C   7     G     300.0    5000.0  1395.0      1
   2.34502681E1  2.93961478E-2 -1.00625079E-5  1.56299241E-9-9.07095315E-14    2
  -1.70842806E4  -9.65158529E1  -1.00666852E0  8.94593772E-2 -6.79868664E-5    3
  2.75737914E-8 -4.6378796E-12  -8.81465736E3   3.39090116E1                   4
YC7H13OOH-X2      96-TRMH  14O   2C   7     G     300.0    5000.0  1392.0      1
    2.5963394E1  3.17761504E-2 -1.09429861E-5  1.70664641E-9-9.93263248E-14    2
  -3.49851761E4  -1.03963771E2   1.57763619E0  8.69613937E-2 -5.88014368E-5    3
  2.07462381E-8-3.04306705E-12    -2.627129E4   2.77464575E1                   4
YC7H13O-X2        -THERMH  13O   1C   7     G     300.0    5000.0  1393.0      1
    2.2256873E1  3.03747275E-2 -1.03924985E-5  1.61372704E-9-9.36327358E-14    2
  -1.47112471E4  -8.70694731E1 -3.89617202E-1  8.25257681E-2 -5.67350163E-5    3
  2.06158021E-8-3.13125784E-12  -6.70837928E3   3.49278519E1                   4
CC6H11-D          -THERMH  11C   6          G     300.0    5000.0  1391.0      1
   1.66759139E1  2.55188994E-2 -8.75271262E-6  1.36122037E-9-7.90628889E-14    2
   1.25816223E4  -6.17581772E1  2.79892305E-1  6.08090233E-2 -3.74358651E-5    3
  1.19198836E-8-1.57803419E-12   1.86591061E4   2.75036232E1                   4
DC6H11-D          -THERMH  11C   6          G     300.0    5000.0  1392.0      1
   1.71678488E1  2.50927881E-2 -8.60445951E-6  1.33799261E-9-7.77083423E-14    2
   1.37739196E4   -6.4109242E1 -1.02888525E-1  6.34862322E-2 -4.12460161E-5    3
  1.40677187E-8-2.01119123E-12   2.00376607E4   2.94552886E1                   4
IC3H6CHCOCH3      6-THRMH  10O   1C   6     G     300.0    5000.0  1386.0      1
    1.8466385E1   2.4425945E-2 -8.47213874E-6   1.3276105E-9-7.75224614E-14    2
  -3.27396361E4  -7.08968496E1  8.85427322E-1   6.2531128E-2 -4.00028998E-5    3
  1.33360139E-8-1.87537015E-12  -2.62281818E4   2.47595184E1                   4
AC3H5CHCOCH3      6-THRMH   9O   1C   6     G     300.0    5000.0  1386.0      1
    1.9409358E1   2.1280345E-2 -7.43394792E-6  1.17058928E-9-6.85879838E-14    2
  -1.47343669E4  -7.63296154E1  3.32194844E-1  6.50925472E-2 -4.64483778E-5    3
  1.73165694E-8 -2.6940759E-12  -7.95952457E3   2.65201335E1                   4
IC3H6CHCOCH2      6-THRMH   9O   1C   6     G     300.0    5000.0  1388.0      1
   1.90576522E1  2.14419783E-2 -7.45801114E-6   1.1709365E-9 -6.8466864E-14    2
  -1.13718745E4  -7.45617262E1  6.52612117E-1  6.46089181E-2 -4.71213384E-5    3
  1.82350555E-8-2.95881586E-12  -4.90902385E3   2.43728654E1                   4
NC4H3                   H   3C   4          G     300.0    5000.0  1000.0      1
     8.138184E0    8.482964E-3   -2.273188E-6   3.056617E-10  -1.673905E-14    2
     6.242609E4    -1.541475E1     1.398883E0    3.252805E-2   -3.442389E-5    3
    1.996482E-8  -4.825947E-12      6.39068E4      1.78182E1                   4
C6H5CH2J          T08-90H   7C   7          G     200.0    6000.0  1000.0      1
     1.404398E1   2.3493873E-2  -8.5375367E-6   1.3890841E-9  -8.361442E-14    2
    1.8564203E4   -5.1665589E1    4.811154E-1   3.8512832E-2   3.2861492E-5    3
  -7.6972721E-8  3.5423068E-11    2.3307027E4     2.354882E1                   4
RODC6JDO           HADADH   5O   2C   6     G     300.0    5000.0  1400.0      1
   1.78077666E1  1.57342093E-2 -5.31173367E-6 8.17819899E-10-4.71852395E-14    2
  -5.54991746E3  -6.95659926E1   3.3718347E-1  6.11551836E-2 -5.11124475E-5    3
  2.19526855E-8-3.78092218E-12   6.99211714E0    2.2544746E1                   4
OXCCXCCJXO        4THERMH   3O   2C   4     G     300.0    5000.0  1394.0      1
   1.51222766E1  7.86855773E-3 -2.79188673E-6 4.44279496E-10-2.62250597E-14    2
  -1.75413346E4  -5.12157742E1  4.04651808E-1  4.93578716E-2 -4.86244463E-5    3
  2.35936197E-8-4.46549958E-12  -1.31321917E4   2.53224744E1                   4
BICPD             -THERMH  10C  10          G     300.0    5000.0  1390.0      1
   2.37376593E1   3.0458489E-2 -1.08284032E-5  1.72545836E-9-1.01947418E-13    2
   1.46634901E4  -1.07726856E2  -2.04390488E1  1.33899523E-1 -1.01916956E-4    3
  3.75374041E-8-5.40373749E-12   2.97634367E4   1.29084476E2                   4
C6JYOO                  H   5O   2C   6     G     300.0    5000.0  1402.0      1
   1.89067274E1  1.53069535E-2 -5.27402706E-6 8.23188147E-10-4.79482227E-14    2
   2.07181075E4  -7.69479534E1  -4.30389058E0  7.94079577E-2 -7.40991946E-5    3
  3.45047697E-8-6.31020034E-12   2.77342644E4     4.410915E1                   4
CY13PD            -THERMH   6C   5          G     300.0    5000.0  1400.0      1
   1.26467216E1  1.54049138E-2 -5.27976433E-6 8.21090156E-10-4.77026129E-14    2
   9.23782306E3  -4.78698742E1   -4.8859107E0  6.00252758E-2 -4.92777757E-5    3
  2.06970535E-8-3.49397891E-12   1.49171729E4   4.49199697E1                   4
STYR              -THERMH   8C   8          G     300.0    5000.0  1396.0      1
   1.92249323E1  2.22832599E-2  -7.6859529E-6  1.20019881E-9-6.99204017E-14    2
   8.14911011E3  -7.98072202E1  -4.56741365E0  8.21076898E-2 -6.62823107E-5    3
  2.76564392E-8-4.67898025E-12   1.59757463E4   4.64480792E1                   4
DICYPD            -THERMH  12C  10          G     300.0    5000.0  1392.0      1
   2.39749595E1  3.52708288E-2 -1.24700883E-5  1.97979508E-9-1.16678757E-13    2
   8.62179832E3  -1.09672463E2  -2.26739692E1  1.42960823E-1  -1.0547266E-4    3
  3.76048718E-8 -5.2135292E-12   2.47285806E4   1.40949486E2                   4
BICPDJ            -THERMH   9C  10          G     300.0    5000.0  1399.0      1
    2.4508355E1  2.64757146E-2 -9.27286602E-6  1.46300495E-9-8.58478665E-14    2
    3.2386345E4  -1.13439904E2  -1.34109066E1  1.24639346E-1  -1.0787497E-4    3
  4.68295361E-8-8.08624375E-12   4.44966038E4   8.66451589E1                   4
CXCC(C#C)XC       -THERMH   6C   6          G     300.0    5000.0  1387.0      1
   1.51766669E1  1.55012362E-2 -5.43228931E-6 8.57195296E-10 -5.0298433E-14    2
   3.25609626E4  -5.54334104E1 -3.81178233E-1  5.40352836E-2 -4.34005262E-5    3
  1.84672859E-8-3.24815225E-12   3.78339571E4   2.74962665E1                   4
CYPDONE            -XIANH   4O   1C   5     G     300.0    5000.0  1397.0      1
   1.43779472E1  1.19184228E-2 -4.19444268E-6 6.63874349E-10-3.90411169E-14    2
  -3.12321247E3  -5.61146171E1  -4.15438982E0  6.11975086E-2 -5.52982224E-5    3
  2.49740399E-8-4.46438553E-12   2.68411141E3   4.12432368E1                   4
HCOCJXO           -THERMH   1O   2C   2     G     300.0    5000.0  1413.0      1
   9.56248658E0  2.73668655E-3 -1.00178635E-6 1.62732634E-10-9.74372616E-15    2
  -3.22485394E3  -2.52197723E1  3.00486696E-1  2.77038168E-2   -2.666181E-5    3
  1.20343295E-8-2.08589886E-12  -4.23731341E2   2.32044967E1                   4
CYC5H5OJ                H   5O   1C   5     G     300.0    5000.0  1395.0      1
   1.49127777E1  1.36359024E-2 -4.70831344E-6  7.3626512E-10-4.29509412E-14    2
   1.43674328E4   -5.6966982E1  -4.18680099E0  6.25530448E-2  -5.3152744E-5    3
  2.26755263E-8-3.85181289E-12   2.05050843E4   4.39771791E1                   4
CYC5H5OH          -THERMH   6O   1C   5     G     300.0    5000.0  1398.0      1
   1.53433477E1  1.50754059E-2 -5.13553582E-6 7.95807816E-10-4.61311517E-14    2
  -1.19645453E4   -5.8520443E1  -4.26822012E0  6.62446749E-2 -5.68494038E-5    3
  2.46858526E-8-4.26820696E-12  -5.75581338E3    4.4796285E1                   4
CYC5H4OH                H   5O   1C   5     G     300.0    5000.0  1409.0      1
   1.64571358E1  1.14589263E-2 -3.86643522E-6 5.95873719E-10 -3.4427759E-14    2
   9.37609019E2  -6.38874692E1  -5.73477597E0  7.32209786E-2   -6.986496E-5    3
  3.24462652E-8-5.84437946E-12   7.50649045E3   5.15348696E1                   4
CPDJONE                 H   3O   1C   5     G     300.0    5000.0  1394.0      1
   1.37920307E1  9.94676171E-3 -3.53224669E-6 5.62416803E-10-3.32119217E-14    2
   2.82749422E4  -5.06039865E1  -2.97900157E0  5.40428052E-2 -4.87013197E-5    3
  2.18001279E-8 -3.8611397E-12   3.35757242E4   3.76713392E1                   4
CXCCXCXO          -THERMH   4O   1C   4     G     300.0    5000.0  1401.0      1
    1.3291889E1  9.42783712E-3 -3.23329764E-6 5.02853718E-10-2.92089737E-14    2
  -4.65486164E3  -4.48053204E1  -1.7432901E-1  4.99882693E-2 -5.08353583E-5    3
  2.57383902E-8-5.04416081E-12  -8.53247629E2   2.43466973E1                   4
CJXCCXCXO               H   3O   1C   4     G     300.0    5000.0  1401.0      1
   1.37273605E1  6.55159611E-3 -2.25016948E-6 3.50319189E-10-2.03642753E-14    2
     2.534222E4  -4.50044906E1    1.4689156E0  4.57117267E-2 -5.03333351E-5    3
  2.66604935E-8 -5.3615438E-12   2.85841219E4   1.71604226E1                   4
CXCCCJXO          -THERMH   5O   1C   4     G     300.0    5000.0  1389.0      1
    1.1864659E1  1.28852832E-2 -4.45460888E-6 6.96613045E-10 -4.0621549E-14    2
   3.86344452E3  -3.32989999E1  9.34300027E-1  3.77751824E-2 -2.61384581E-5    3
  9.34041036E-9-1.37598294E-12   7.74223639E3   2.56636231E1                   4
CXCCCO2J          -THERMH   5O   2C   4     G     300.0    5000.0  1394.0      1
   1.31014888E1  1.43653801E-2 -4.96097546E-6  7.7519074E-10-4.51773635E-14    2
  -2.14556874E4  -4.32632704E1 -9.25534522E-1  5.02116403E-2 -4.11514066E-5    3
  1.77825411E-8-3.14006631E-12  -1.68498468E4   3.10498181E1                   4
OXCCXCCXO         -THERMH   4O   2C   4     G     300.0    5000.0  1385.0      1
   1.46191433E1  1.09193238E-2 -3.86206176E-6 6.13272282E-10-3.61465924E-14    2
   -2.9081669E4  -5.08276975E1   1.17740159E0  4.23067551E-2 -3.18408983E-5    3
  1.19690116E-8-1.81063004E-12  -2.44288948E4   2.13417216E1                   4
OXCCXCCJCXO           94H   5O   2C   5     G     300.0    5000.0  1387.0      1
   1.79529662E1  1.28543987E-2 -4.55161528E-6 7.23280909E-10-4.26505626E-14    2
  -1.67778521E4  -6.37516991E1  7.35946673E-1  5.61552852E-2 -4.72529312E-5    3
  2.02637362E-8 -3.5102154E-12  -1.10881475E4   2.76556378E1                   4
CXOCXCCJ          -THERMH   5O   1C   4     G     300.0    5000.0  1386.0      1
   1.35956195E1  1.16987504E-2 -4.10942758E-6  6.4951659E-10-3.81570959E-14    2
  -3.53249337E3  -4.49691187E1   1.01071252E0  4.22707983E-2 -3.32803885E-5    3
  1.36479906E-8-2.30337936E-12   7.60368602E2   2.22717669E1                   4
NC4H5             -THERMH   5C   4          G     300.0    5000.0  1404.0      1
   1.15652616E1  1.06404457E-2  -3.5972711E-6 5.54155444E-10-3.19775833E-14    2
    3.7117254E4   -3.6856171E1 -4.44602469E-1  4.37466778E-2 -3.92100238E-5    3
   1.8055318E-8-3.30215917E-12   4.07702054E4   2.58307446E1                   4
C6H5CH2OOJ        -THERMH   7O   2C   7     G     300.0    5000.0  1389.0      1
    2.1894626E1  2.02701494E-2 -7.14525361E-6   1.1320857E-9-6.66220534E-14    2
   3.93272947E3  -8.95685129E1  -3.77863659E0  8.29484718E-2 -6.64288143E-5    3
  2.69504875E-8-4.41844689E-12   1.25603231E4   4.73269747E1                   4
C6H5CH2OOH        -THERMH   8O   2C   7     G     300.0    5000.0  1390.0      1
   2.21951256E1  2.19901041E-2 -7.70452728E-6  1.21574282E-9 -7.1342727E-14    2
  -1.43966742E4  -9.07483698E1  -3.39515159E0  8.45306884E-2 -6.70634097E-5    3
   2.7211325E-8-4.48289693E-12  -5.78730853E3   4.57078979E1                   4
C6H5CH2OJ         -THERMH   7O   1C   7     G     300.0    5000.0  1392.0      1
   1.78843033E1  2.09011735E-2 -7.21832713E-6  1.12839851E-9 -6.5795526E-14    2
   4.93182818E3  -7.01304667E1   -4.7773669E0  7.51049308E-2 -5.68532831E-5    3
  2.18290029E-8-3.38134298E-12   1.26234438E4   5.10429366E1                   4
C6H5O2             HADADH   5O   2C   6     G     300.0    5000.0  1403.0      1
   1.82202607E1    1.591522E-2 -5.48905745E-6 8.57266857E-10-4.99524398E-14    2
   9.64321495E3  -7.27017378E1  -4.10418376E0  7.56653434E-2 -6.75616707E-5    3
  3.03037283E-8-5.37747223E-12   1.65682233E4     4.438546E1                   4
CY13PD5J          -THERMH   5C   5          G     300.0    5000.0  1403.0      1
    1.3556972E1  1.22914133E-2 -4.25209533E-6  6.6553638E-10-3.88428452E-14    2
    2.2173466E4  -5.31109915E1  -5.44117341E0  6.32470657E-2 -5.71657025E-5    3
  2.57052547E-8-4.55247216E-12   2.80395761E4   4.64652136E1                   4
C6H5OJ             HADADH   5O   1C   6     G     300.0    5000.0  1401.0      1
   1.59513173E1  1.52837431E-2 -5.26838909E-6 8.22485253E-10-4.79122756E-14    2
  -1.56782534E3  -6.22003421E1  -4.56101748E0  6.98936182E-2 -6.18066353E-5    3
  2.76045454E-8-4.89409696E-12   4.83671356E3   4.55069524E1                   4
CYC5H8            -THERMH   8C   5          G     300.0    5000.0  1398.0      1
   1.27525879E1  2.01602949E-2 -6.86564327E-6  1.06303695E-9-6.15663048E-14    2
  -3.09810152E3  -4.85501459E1  -5.44615258E0   6.3315462E-2 -4.59351514E-5    3
  1.71229729E-8-2.58907474E-12   3.11839629E3   4.88944865E1                   4
CH2CY24PD         -THERMH   7C   6          G     300.0    5000.0  1402.0      1
   1.55519752E1  1.77085606E-2 -6.09452317E-6 9.50211121E-10-5.52948378E-14    2
   2.85170008E4  -6.03503431E1  -6.08820883E0  7.61402462E-2  -6.7756617E-5    3
  3.07797975E-8-5.56356102E-12   3.52270912E4    5.3046578E1                   4
CXCCXCCJ          -THERMH   7C   5          G     300.0    5000.0  1384.0      1
   1.46398802E1  1.60860417E-2 -5.66411056E-6  8.9664046E-10-5.27310389E-14    2
   1.74224568E4  -5.37942559E1  -1.95534763E0  5.58644649E-2 -4.32573342E-5    3
  1.75877736E-8-2.96850177E-12    2.3164459E4   3.51104649E1                   4
LINC6H7           -THERMH   7C   6          G     300.0    5000.0  1405.0      1
    1.7622586E1  1.51976235E-2 -5.15602211E-6 7.96188268E-10-4.60220066E-14    2
   4.12781421E4  -6.76880771E1   -1.6871768E0  6.97442629E-2 -6.51384982E-5    3
  3.08028076E-8-5.72894955E-12   4.70145566E4   3.26256051E1                   4
CXCCXCC           -THERMH   8C   5          G     300.0    5000.0  1395.0      1
   1.39047758E1  1.85254792E-2 -6.33885215E-6 9.84235261E-10-5.71027672E-14    2
   2.34402554E3  -4.99031649E1  -1.21646871E0  5.69593952E-2 -4.51457671E-5    3
   1.9310096E-8-3.41706203E-12    7.3579064E3   3.03267214E1                   4
CH3CY24PD         -THERMH   8C   6          G     300.0    5000.0  1399.0      1
   1.58460057E1  2.00902785E-2 -6.93497016E-6   1.0833984E-9-6.31318908E-14    2
   3.42821098E3  -6.44405101E1  -6.05214392E0  7.63737263E-2  -6.3461969E-5    3
  2.72515023E-8-4.72538827E-12   1.05143031E4   5.13368383E1                   4
CYC5H7U1          -THERMH   7C   5          G     300.0    5000.0  1405.0      1
   1.33514589E1  1.73652174E-2 -5.95660177E-6 9.26668595E-10-5.38430106E-14    2
   1.31128783E4  -4.88977074E1  -6.16539988E0   6.7914932E-2 -5.67945533E-5    3
  2.43460812E-8-4.18641918E-12   1.93507391E4   5.40864245E1                   4
CXCCJCXC                H   7C   5          G     300.0    5000.0  1390.0      1
    1.3909771E1   1.6529705E-2 -5.77689959E-6 9.09959248E-10-5.33301641E-14    2
   1.77407637E4  -5.03915802E1  -3.09633318E0  5.77446981E-2 -4.48246625E-5    3
   1.8106962E-8-3.00618556E-12   2.35345666E4   4.04767446E1                   4
OXCJCXCCXC        3THERMH   5O   1C   5     G     300.0    5000.0  1396.0      1
   1.57951346E1  1.22287902E-2 -4.25808029E-6  6.6907945E-10-3.91463632E-14    2
   8.39905638E3  -5.70349813E1  -1.49985884E0  6.17452976E-2  -6.0082686E-5    3
  2.94552442E-8 -5.6612855E-12   1.35479925E4   3.27086508E1                   4
CJXCCXO           -THERMH   3O   1C   3     G     300.0    5000.0  1402.0      1
   1.07482537E1  6.19822688E-3 -2.06130981E-6 3.14418872E-10-1.80309517E-14    2
   1.51410162E4  -3.01266033E1   1.46654466E0  3.23390476E-2 -3.05588208E-5    3
  1.44081861E-8-2.65600505E-12   1.78850058E4   1.80850321E1                   4
HCOHCO            -THERMH   2O   2C   2     G     300.0    5000.0  1386.0      1
   9.75438561E0  4.97645947E-3 -1.74410483E-6 2.75586994E-10-1.61969892E-14    2
  -2.95832896E4  -2.61878329E1    1.8810512E0  2.36386368E-2 -1.83443295E-5    3
  6.84842963E-9-9.92733674E-13   -2.6928019E4   1.59154793E1                   4
CPDOOH            -THERMH   6O   2C   5     G     300.0    5000.0  1397.0      1
   1.90879305E1  1.47694351E-2 -5.19152626E-6 8.21019611E-10-4.82550028E-14    2
  -5.53511312E3  -7.56064355E1  -4.18453798E0  7.77836558E-2 -7.18699521E-5    3
  3.31691427E-8-6.04024361E-12   1.65907623E3   4.62765275E1                   4
OXCCXCCXCJ        -THERMH   5O   1C   5     G     300.0    5000.0  1399.0      1
   1.63539852E1  1.15730003E-2 -3.99065616E-6 6.22954543E-10-3.62805238E-14    2
   1.94320029E4  -5.92079822E1 -8.98792284E-2  6.02166232E-2 -6.03090093E-5    3
  3.02148406E-8-5.88608835E-12     2.416747E4   2.55574705E1                   4
CXOCCCJCXO        -THERMH   7O   2C   5     G     300.0    5000.0  1359.0      1
   1.67495698E1  1.76002589E-2 -5.98916805E-6 9.27650094E-10-5.37629506E-14    2
  -2.14460869E4  -5.28247697E1   5.70045881E0  3.60712265E-2 -1.38686845E-5    3
 -7.6207205E-11  8.3137509E-13  -1.68594701E4   9.14837948E0                   4
CXOCCCXO          -THERMH   6O   2C   4     G     300.0    5000.0  1371.0      1
   1.44406255E1  1.50487556E-2 -5.13967301E-6  7.9789559E-10-4.63122524E-14    2
  -4.11449658E4  -4.58917536E1    4.4817135E0  3.44515192E-2 -1.84600554E-5    3
   4.4841842E-9-3.58800501E-13  -3.72374921E4   9.07149396E0                   4
! [_ SMILES="C1CCC(CC1)C=CC1CCCCC1" _]
STYLBEN                 H  12C  14          G     300.0    3000.0  1000.0      1
     2.684975E1    4.284293E-2    -1.50785E-5    2.466436E-9  -1.547179E-13    2
     1.642177E4    -1.174183E2    -7.927012E0    1.320753E-1   -8.811733E-5    3
    1.909523E-8   1.768796E-12     2.638672E4     6.407433E1                   4
XYLENE                  H  10C   8          G     300.0    5000.0  1000.0      1
     1.664787E1    2.903577E-2   -9.781338E-6    1.551806E-9  -9.533312E-14    2
    -6.295621E3    -6.504559E1     -3.34551E0    7.438826E-2   -4.178682E-5    3
    7.019584E-9   1.065979E-12     9.080726E1     4.160116E1                   4
CXOCCXO           -THERMH   4O   2C   3     G     300.0    5000.0  1380.0      1
   1.13146955E1  1.09826045E-2 -3.83865503E-6 6.04745993E-10-3.54478774E-14    2
  -3.68456705E4  -3.10905302E1   1.79852184E0  3.04274142E-2 -1.78928318E-5    3
   4.6868066E-9-3.88605902E-13  -3.32645409E4    2.1002641E1                   4
CPDCXC            -THERMH   8C   7          G     300.0    5000.0  1402.0      1
   1.78678776E1  2.08230902E-2 -7.16659653E-6  1.11739206E-9-6.50251109E-14    2
   1.53285313E4  -7.26513565E1  -6.71194396E0  8.59702829E-2 -7.45644868E-5    3
  3.31169868E-8-5.87901139E-12   2.30640302E4   5.65691171E1                   4
DHCO2J                  H   1O   4C   2     G     300.0    5000.0  1532.0      1
   1.47334267E1   3.3495953E-3 -1.42099386E-6 2.53086489E-10-1.61179731E-14    2
  -3.72813816E4  -4.36581652E1   8.80178445E0  4.94190735E-3  1.15926744E-5    3
 -1.20950072E-8  3.1331959E-12  -3.39707062E4   -7.4019113E0                   4
FULVENYL           -1998H   5C   6          G     300.0    5000.0  1400.0      1
   1.49733861E1  1.31279548E-2 -4.43931566E-6 6.85048173E-10-3.96115173E-14    2
   5.04662708E4  -5.79946013E1  -3.37529649E0  5.92300122E-2 -4.85540402E-5    3
  1.97350757E-8-3.16400675E-12   5.63897813E4   3.91932238E1                   4
CPDJCH3           -THERMH   7C   6          G     300.0    5000.0  1400.0      1
    1.6771908E1  1.69553299E-2 -5.89878767E-6 9.26452584E-10-5.41901391E-14    2
   1.51931941E4  -6.88571619E1   -6.8984865E0  8.10196607E-2 -7.36595148E-5    3
  3.37792196E-8-6.13407967E-12   2.25152042E4   5.51218056E1                   4
C6H5CJO           -THERMH   5O   1C   7     G     300.0    5000.0  1382.0      1
   1.77196103E1  1.59990428E-2  -5.5453215E-6 8.69582681E-10 -5.0833522E-14    2
   4.57408086E3  -6.82553109E1   -1.9300155E0   6.1879997E-2 -4.60916515E-5    3
  1.70133701E-8-2.49869948E-12    1.1335217E4   3.71779131E1                   4
YOC6JDO            HADADH   5O   2C   6     G     300.0    5000.0  1402.0      1
   1.81847303E1  1.59592345E-2 -5.50687389E-6 8.60288089E-10-5.01370012E-14    2
  -1.42411225E4  -7.17061777E1  -2.92236719E0  7.15580542E-2 -6.23775751E-5    3
  2.74733056E-8-4.81161079E-12  -7.59776622E3   3.93242583E1                   4
CXOCJCXO          -THERMH   3O   2C   3     G     300.0    5000.0  1388.0      1
   1.15553127E1  8.26541096E-3 -2.90883856E-6 4.60361477E-10-2.70704715E-14    2
  -1.53011324E4  -3.02788743E1   1.73207262E0  3.21117881E-2 -2.54057019E-5    3
  1.02703474E-8-1.68852228E-12  -1.19752646E4    2.2167718E1                   4
C12H10                  H  10C  12          G     300.0    5000.0  1000.0      1
    2.4289017E1   3.4006648E-2  -1.1722408E-5   1.7729298E-9 -9.6812532E-14    2
       1.0287E4   -1.0802374E2   -4.0739527E0    8.697331E-2  -4.2353613E-6    3
   -6.456446E-8  3.4150169E-11    1.9405965E4    4.4741348E1                   4
PHCCHPH                 H  11C  14          G     300.0    5000.0  1000.0      1
     2.717595E1     3.79553E-2   -1.226511E-5    1.888816E-9  -1.136493E-13    2
     4.010346E4    -1.182167E2    -7.376882E0    1.267019E-1    -8.77666E-5    3
     2.36557E-8  -5.884187E-13     5.010338E4       6.2333E1                   4
O2C6H4CH3               H   7O   2C   7     G     300.0    5000.0  1000.0      1
     7.856049E0    3.925593E-2   -1.475954E-5    2.529374E-9  -1.639172E-13    2
     -1.19508E4    -1.028405E1    -6.067392E0    8.928076E-2   -7.081122E-5    3
    2.379176E-8  -1.507677E-12    -9.402725E3     5.714516E1                   4
RODC6J(C)DO             H   7O   2C   7     G     300.0    5000.0  1000.0      1
     7.856049E0    3.925593E-2   -1.475954E-5    2.529374E-9  -1.639172E-13    2
     -1.19508E4    -1.028405E1    -6.067392E0    8.928076E-2   -7.081122E-5    3
    2.379176E-8  -1.507677E-12    -9.402725E3     5.714516E1                   4
OCCXCCXCJC              H   7O   1C   6     G     300.0    5000.0  1000.0      1
     5.049701E0    3.879186E-2   -1.532066E-5    2.717126E-9  -1.803373E-13    2
     1.975984E4     7.772278E0    2.960315E-1    5.582377E-2   -3.633194E-5    3
    1.322637E-8  -1.978583E-12     2.073365E4     3.102968E1                   4
C6H4                    H   4C   6          G     300.0    5000.0  1000.0      1
     1.361435E1    1.502698E-2   -6.025615E-6    1.079862E-9  -7.218883E-14    2
     3.731447E4    -4.930648E1    -3.252509E0    6.303757E-2   -4.888289E-5    3
    1.144796E-8   1.252053E-12     4.160491E4     3.683657E1                   4
CJCXCC#C           THGENH   5C   5          G     300.0    5000.0  1000.0      1
     1.359879E1    1.052047E-2   -2.792745E-6   3.730806E-10  -2.034639E-14    2
     4.080266E4    -4.500557E1    2.016659E-1    4.721465E-2   -4.011665E-5    3
    1.758655E-8   -3.20822E-12     4.462821E4     2.456541E1                   4
CXCCXCCOH              SH   8O   1C   5     G     300.0    5000.0  1000.0      1
    -1.376247E1    6.835284E-2   -3.147971E-5    6.222496E-9  -4.463436E-13    2
    -3.552777E3     1.099142E2    -2.726517E0    6.999725E-2    -5.72736E-5    3
    1.821247E-8   4.943728E-13    -9.998614E3      4.07012E1                   4
CR1                     H  14C  11          G     300.0    5000.0  1000.0      1
     2.427949E1    3.927793E-2   -1.305583E-5    2.052918E-9  -1.254046E-13    2
    -2.235309E3    -1.007398E2    -5.004268E0    1.109451E-1   -6.888757E-5    3
    1.396812E-8   1.386546E-12     6.544231E3     5.344411E1                   4
CR2                     H  13C  11          G     300.0    5000.0  1000.0      1
     2.505824E1    3.431525E-2    -1.04203E-5    1.536649E-9   -8.98238E-14    2
     1.450219E4    -1.033761E2    -4.583976E0    1.108832E-1   -8.087794E-5    3
    2.918487E-8  -4.213071E-12     2.325891E4     5.186073E1                   4
CR3                     H  10C   9          G     300.0    5000.0  1000.0      1
     1.868008E1    3.016912E-2   -1.024301E-5    1.633168E-9  -1.006311E-13    2
     4.577395E3    -7.382524E1    -2.358374E0     7.99619E-2   -4.836159E-5    3
    1.055948E-8   3.199908E-13     1.110995E4     3.768919E1                   4
CR4                     H  10C   9          G     300.0    5000.0  1000.0      1
     1.712766E1     3.23971E-2   -1.124372E-5    1.820982E-9   -1.13438E-13    2
     7.913693E3     -6.51888E1    -4.557724E0    8.474334E-2   -5.130412E-5    3
    9.996446E-9   1.088465E-12     1.449518E4     4.926686E1                   4
CR5                     H  12C  10          G     300.0    5000.0  1000.0      1
     1.974345E1    3.731304E-2   -1.280291E-5    2.055546E-9  -1.272091E-13    2
     2.593645E3     -7.78589E1    -5.522688E0    1.005481E-1   -6.395151E-5    3
    1.441231E-8   6.718284E-13     1.004281E4     5.469401E1                   4
C6H5C2H2                H   7C   8          G     300.0    5000.0  1000.0      1
     1.447023E1    2.410555E-2   -7.700606E-6    1.177617E-9  -7.058985E-14    2
     3.452381E4    -5.209126E1    -1.811305E0    6.042667E-2   -2.736043E-5    3
   -4.100513E-9   4.828731E-12     3.953774E4     3.442098E1                   4
PHENA             T-1-94H  10C  14          G     200.0    6000.0  1000.0      1
    2.5517187E1   3.9372794E-2  -1.2315508E-5    1.278528E-9          0.0E0    2
    1.3122404E4   -1.1561842E2    -9.094741E0    1.313338E-1  -9.2401729E-5    3
   2.4015671E-8          0.0E0     2.276495E4     6.397536E1                   4
C6H5C2H4P         -THERMH   9C   8          G     300.0    5000.0  1396.0      1
   1.98006146E1   2.3573435E-2 -8.05910269E-6  1.25128895E-9-7.26159594E-14    2
   1.81887791E4  -8.09253099E1  -4.93727507E0  8.45456396E-2 -6.60178082E-5    3
  2.64632371E-8-4.29041682E-12   2.64052796E4   5.07102875E1                   4
C6H5C2H4S         -THERMH   9C   8          G     300.0    5000.0  1396.0      1
   1.98317067E1  2.40092964E-2 -8.21876729E-6  1.27726062E-9-7.41731462E-14    2
   1.12688528E4  -8.51819715E1  -6.01558728E0  8.73954364E-2 -6.79894752E-5    3
  2.70035345E-8-4.32578144E-12   1.98726473E4   5.24486881E1                   4
NC8H18            -THERMH  18C   8          G     300.0    5000.0  1391.0      1
   2.54710194E1  3.90887037E-2 -1.33038777E-5  2.05867527E-9-1.19167174E-13    2
  -3.83962755E4  -1.08361094E2  -1.54218406E0  9.78112063E-2 -6.09318358E-5    3
  1.92005591E-8 -2.4299625E-12  -2.85395641E4   3.83327978E1                   4
C8H17-1           -THERMH  17C   8          G     300.0    5000.0  1390.0      1
   2.50510356E1  3.69480162E-2 -1.25765264E-5  1.94628409E-9-1.12668898E-13    2
  -1.33300535E4  -1.02557384E2 -7.72759438E-1  9.32549705E-2 -5.84447245E-5    3
  1.85570214E-8-2.37127483E-12  -3.92689511E3   3.76130631E1                   4
C8H17-2           -THERMH  17C   8          G     300.0    5000.0  1383.0      1
   2.49043504E1  3.66393792E-2 -1.23849888E-5  1.90835394E-9-1.10160725E-13    2
  -1.47135299E4   -1.0134474E2 -3.04233324E-1  8.80077253E-2 -4.90742611E-5    3
  1.21857563E-8-8.87773198E-13  -5.23792835E3   3.66582632E1                   4
C8H17-3           -THERMH  17C   8          G     300.0    5000.0  1383.0      1
   2.49043504E1  3.66393792E-2 -1.23849888E-5  1.90835394E-9-1.10160725E-13    2
  -1.47135299E4   -1.0134474E2 -3.04233324E-1  8.80077253E-2 -4.90742611E-5    3
  1.21857563E-8-8.87773198E-13  -5.23792835E3   3.66582632E1                   4
C8H17-4           -THERMH  17C   8          G     300.0    5000.0  1383.0      1
   2.49043504E1  3.66393792E-2 -1.23849888E-5  1.90835394E-9-1.10160725E-13    2
  -1.47135299E4   -1.0134474E2 -3.04233324E-1  8.80077253E-2 -4.90742611E-5    3
  1.21857563E-8-8.87773198E-13  -5.23792835E3   3.66582632E1                   4
C8H16-1           -THERMH  16C   8          G     300.0    5000.0  1392.0      1
   2.43540125E1  3.53666462E-2 -1.20208388E-5  1.85855053E-9-1.07522262E-13    2
  -2.24485674E4  -1.00537716E2  -1.89226915E0  9.46066357E-2 -6.27385521E-5    3
  2.15158309E-8-3.02718683E-12  -1.31074559E4   4.11878981E1                   4
C8H16-2           -THERMH  16C   8          G     300.0    5000.0  1390.0      1
   2.38816232E1   3.5796347E-2 -1.21751156E-5  1.88324269E-9-1.08984103E-13    2
  -2.37936014E4   -9.7933853E1  -1.37264017E0  9.11584593E-2 -5.76549645E-5    3
  1.85627228E-8-2.41868935E-12  -1.46281046E4   3.90391759E1                   4
C8H16-4           -THERMH  16C   8          G     300.0    5000.0  1392.0      1
   2.39336022E1  3.58678892E-2 -1.22236436E-5   1.8931666E-9-1.09652836E-13    2
  -2.37625914E4   -9.8553303E1   -2.3516169E0  9.52163011E-2 -6.32486469E-5    3
  2.18550215E-8-3.11938915E-12  -1.43877806E4   4.34116574E1                   4
C8H17O-1          -THERMH  17O   1C   8     G     300.0    5000.0  1389.0      1
   2.72512508E1   3.7820013E-2 -1.30114097E-5  2.02793912E-9-1.17974804E-13    2
  -3.08509698E4  -1.13035366E2 -5.30802823E-1  9.88178162E-2 -6.36408544E-5    3
  2.10385081E-8-2.86059417E-12  -2.07324793E4   3.76897995E1                   4
C8H17O-2          -THERMH  17O   1C   8     G     300.0    5000.0  1393.0      1
   2.78003985E1  3.73607151E-2 -1.28535855E-5  2.00329125E-9-1.16536735E-13    2
  -3.31674026E4  -1.17013247E2  -1.03824499E0  1.03112815E-1  -7.0404862E-5    3
  2.51346848E-8-3.72941402E-12  -2.29193053E4   3.85600705E1                   4
C8H17O-3          -THERMH  17O   1C   8     G     300.0    5000.0  1393.0      1
   2.78003985E1  3.73607151E-2 -1.28535855E-5  2.00329125E-9-1.16536735E-13    2
  -3.31674026E4  -1.17013247E2  -1.03824499E0  1.03112815E-1  -7.0404862E-5    3
  2.51346848E-8-3.72941402E-12  -2.29193053E4   3.85600705E1                   4
C8H17O-4          -THERMH  17O   1C   8     G     300.0    5000.0  1393.0      1
   2.78003985E1  3.73607151E-2 -1.28535855E-5  2.00329125E-9-1.16536735E-13    2
  -3.31674026E4  -1.17013247E2  -1.03824499E0  1.03112815E-1  -7.0404862E-5    3
  2.51346848E-8-3.72941402E-12  -2.29193053E4   3.85600705E1                   4
C8H17O2-1         -THERMH  17O   2C   8     G     300.0    5000.0  1388.0      1
   2.88539796E1   3.8725089E-2 -1.33542732E-5  2.08457254E-9-1.21395954E-13    2
  -3.33660857E4    -1.177252E2   2.31555413E0  9.46696742E-2 -5.71280014E-5    3
  1.72280162E-8-2.08138332E-12  -2.34350483E4   2.71322464E1                   4
C8H17O2-2         -THERMH  17O   2C   8     G     300.0    5000.0  1391.0      1
    2.8921699E1  3.85701463E-2 -1.32782828E-5  2.07028457E-9-1.20463356E-13    2
  -3.50394952E4  -1.19339283E2   1.27773822E0  1.00602753E-1 -6.68892501E-5    3
  2.34903211E-8-3.47599221E-12   -2.5056126E4   3.02434494E1                   4
C8H17O2-3         -THERMH  17O   2C   8     G     300.0    5000.0  1391.0      1
    2.8921699E1  3.85701463E-2 -1.32782828E-5  2.07028457E-9-1.20463356E-13    2
  -3.50394952E4  -1.19339283E2   1.27773822E0  1.00602753E-1 -6.68892501E-5    3
  2.34903211E-8-3.47599221E-12   -2.5056126E4   3.02434494E1                   4
C8H17O2-4         -THERMH  17O   2C   8     G     300.0    5000.0  1391.0      1
    2.8921699E1  3.85701463E-2 -1.32782828E-5  2.07028457E-9-1.20463356E-13    2
  -3.50394952E4  -1.19339283E2   1.27773822E0  1.00602753E-1 -6.68892501E-5    3
  2.34903211E-8-3.47599221E-12   -2.5056126E4   3.02434494E1                   4
C8H17O2H-1        -THERMH  18O   2C   8     G     300.0    5000.0  1391.0      1
   3.05096604E1  3.97525935E-2 -1.36839926E-5  2.13351153E-9-1.24144728E-13    2
  -5.09007515E4  -1.27305711E2   1.35984489E0  1.03710866E-1  -6.6652182E-5    3
   2.1929114E-8-2.95740143E-12  -4.02859479E4   3.08441399E1                   4
C8H17O2H-2        -THERMH  18O   2C   8     G     300.0    5000.0  1393.0      1
   3.08689709E1  3.93478541E-2 -1.35221259E-5  2.10591021E-9 -1.2244256E-13    2
   -5.2701478E4  -1.30623588E2  4.89374184E-1  1.08832299E-1 -7.45452226E-5    3
  2.67093759E-8 -3.9745878E-12  -4.19345993E4   3.31731814E1                   4
C8H17O2H-3        -THERMH  18O   2C   8     G     300.0    5000.0  1393.0      1
   3.08689709E1  3.93478541E-2 -1.35221259E-5  2.10591021E-9 -1.2244256E-13    2
   -5.2701478E4  -1.30623588E2  4.89374184E-1  1.08832299E-1 -7.45452226E-5    3
  2.67093759E-8 -3.9745878E-12  -4.19345993E4   3.31731814E1                   4
C8H17O2H-4        -THERMH  18O   2C   8     G     300.0    5000.0  1393.0      1
   3.08689709E1  3.93478541E-2 -1.35221259E-5  2.10591021E-9 -1.2244256E-13    2
   -5.2701478E4  -1.30623588E2  4.89374184E-1  1.08832299E-1 -7.45452226E-5    3
  2.67093759E-8 -3.9745878E-12  -4.19345993E4   3.31731814E1                   4
C8OOH1-2          -THERMH  17O   2C   8     G     300.0    5000.0  1386.0      1
   3.01516942E1  3.67482122E-2 -1.24906804E-5  1.93177283E-9-1.11799171E-13    2
  -2.72092925E4  -1.21960256E2   2.27328019E0  9.54480428E-2 -5.68558246E-5    3
  1.58213809E-8-1.53046111E-12  -1.69395627E4   2.99535633E1                   4
C8OOH1-3          -THERMH  17O   2C   8     G     300.0    5000.0  1386.0      1
   3.01516942E1  3.67482122E-2 -1.24906804E-5  1.93177283E-9-1.11799171E-13    2
  -2.72092925E4  -1.21960256E2   2.27328019E0  9.54480428E-2 -5.68558246E-5    3
  1.58213809E-8-1.53046111E-12  -1.69395627E4   2.99535633E1                   4
C8OOH1-4          -THERMH  17O   2C   8     G     300.0    5000.0  1386.0      1
   3.01516942E1  3.67482122E-2 -1.24906804E-5  1.93177283E-9-1.11799171E-13    2
  -2.72092925E4  -1.21960256E2   2.27328019E0  9.54480428E-2 -5.68558246E-5    3
  1.58213809E-8-1.53046111E-12  -1.69395627E4   2.99535633E1                   4
C8OOH1-5          -THERMH  17O   2C   8     G     300.0    5000.0  1386.0      1
   3.01516942E1  3.67482122E-2 -1.24906804E-5  1.93177283E-9-1.11799171E-13    2
  -2.72092925E4  -1.21960256E2   2.27328019E0  9.54480428E-2 -5.68558246E-5    3
  1.58213809E-8-1.53046111E-12  -1.69395627E4   2.99535633E1                   4
C8OOH2-1          -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
   3.04521956E1    3.720283E-2 -1.27929451E-5  1.99320061E-9-1.15924476E-13    2
  -2.76378779E4  -1.25530691E2    1.2379755E0  1.04342374E-1 -7.21337097E-5    3
  2.61030865E-8 -3.9226938E-12  -1.73180717E4   3.18658817E1                   4
C8OOH2-3          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH2-4          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH2-5          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH2-6          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH3-1          -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
   3.04521956E1    3.720283E-2 -1.27929451E-5  1.99320061E-9-1.15924476E-13    2
  -2.76378779E4  -1.25530691E2    1.2379755E0  1.04342374E-1 -7.21337097E-5    3
  2.61030865E-8 -3.9226938E-12  -1.73180717E4   3.18658817E1                   4
C8OOH3-2          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH3-4          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH3-5          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH3-6          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH3-7          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH4-1          -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
   3.04521956E1    3.720283E-2 -1.27929451E-5  1.99320061E-9-1.15924476E-13    2
  -2.76378779E4  -1.25530691E2    1.2379755E0  1.04342374E-1 -7.21337097E-5    3
  2.61030865E-8 -3.9226938E-12  -1.73180717E4   3.18658817E1                   4
C8OOH4-2          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH4-3          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH4-5          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH4-6          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH4-7          -THERMH  17O   2C   8     G     300.0    5000.0  1390.0      1
   3.05294323E1  3.63070264E-2 -1.23123362E-5  1.90124533E-9-1.09913885E-13    2
  -2.90176525E4  -1.25381329E2   1.39583969E0  1.00566667E-1 -6.47172275E-5    3
  2.05646774E-8-2.53651201E-12   -1.8586223E4   3.23220515E1                   4
C8OOH4-8          -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
   3.04521956E1    3.720283E-2 -1.27929451E-5  1.99320061E-9-1.15924476E-13    2
  -2.76378779E4  -1.25530691E2    1.2379755E0  1.04342374E-1 -7.21337097E-5    3
  2.61030865E-8 -3.9226938E-12  -1.73180717E4   3.18658817E1                   4
C8OOH1-2O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8OOH1-3O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8OOH1-4O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8OOH1-5O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8OOH2-1O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8OOH2-3O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH2-4O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH2-5O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH2-6O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH3-1O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8OOH3-2O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH3-4O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH3-5O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH3-6O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH3-7O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH4-1O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8OOH4-2O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH4-3O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH4-5O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH4-6O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH4-7O2        7THERMH  17O   4C   8     G     300.0    5000.0  1390.0      1
   3.63052727E1  3.69462032E-2 -1.28128493E-5  2.00799179E-9-1.17270885E-13    2
  -5.02882781E4  -1.54034992E2   2.93567998E0  1.11272287E-1 -7.47853859E-5    3
  2.50032128E-8-3.32200013E-12  -3.83636065E4   2.64233869E1                   4
C8OOH4-8O2        7THERMH  17O   4C   8     G     300.0    5000.0  1388.0      1
    3.5916766E1  3.73517271E-2 -1.29696842E-5  2.03425618E-9-1.18872912E-13    2
  -4.84712569E4   -1.5053825E2   3.70943296E0  1.06532813E-1 -6.74885336E-5    3
  2.05932783E-8-2.38483543E-12  -3.66985222E4   2.45549083E1                   4
C8O1-2            -THERMH  16O   1C   8     G     300.0    5000.0  1394.0      1
   2.66403912E1  3.66846073E-2 -1.26287147E-5  1.96906795E-9-1.14579768E-13    2
  -3.70140868E4   -1.1276904E2   -3.8267658E0  1.08906998E-1  -7.9160553E-5    3
  3.03561969E-8-4.83397176E-12  -2.64701322E4   5.05995865E1                   4
C8O1-3                  H  16O   1C   8     G     300.0    5000.0  1393.0      1
   2.63784127E1   3.7144876E-2 -1.28416202E-5  2.00806139E-9-1.17087172E-13    2
   -3.8103185E4   -1.1324087E2  -5.59444106E0  1.11809299E-1 -8.01962144E-5    3
  3.00297717E-8-4.65320182E-12  -2.69380803E4   5.85810485E1                   4
C8O1-4                  H  16O   1C   8     G     300.0    5000.0  1392.0      1
   2.62402051E1  3.74143406E-2 -1.29699422E-5  2.03191309E-9 -1.1863497E-13    2
  -4.84119494E4   -1.1409586E2  -7.20108984E0   1.1422044E-1 -8.03864683E-5    3
    2.903503E-8-4.29374834E-12  -3.66432722E4   6.60110969E1                   4
C8O1-5                  H  16O   1C   8     G     300.0    5000.0  1387.0      1
   2.74666653E1  3.68028981E-2  -1.2857559E-5  2.02489837E-9-1.18660841E-13    2
  -5.12520521E4  -1.26334603E2  -7.20849509E0  1.13484239E-1 -7.63275736E-5    3
  2.54274604E-8-3.36780015E-12  -3.87814461E4   6.14218712E1                   4
C8O2-3            -THERMH  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.76661224E1  3.58262509E-2 -1.23366126E-5  1.92398016E-9 -1.1197789E-13    2
  -3.95837952E4  -1.18935405E2  -4.46194976E0  1.13103897E-1 -8.44202701E-5    3
  3.29385814E-8-5.28604609E-12  -2.86250073E4   5.28620985E1                   4
C8O2-4                  H  16O   1C   8     G     300.0    5000.0  1396.0      1
    2.6919475E1  3.64715497E-2 -1.25621541E-5  1.95953108E-9-1.14063115E-13    2
  -4.03678092E4  -1.16350513E2   -5.5085362E0   1.1338544E-1 -8.29188825E-5    3
  3.15205162E-8-4.92028745E-12  -2.92118082E4   5.74129811E1                   4
C8O2-5                  H  16O   1C   8     G     300.0    5000.0  1395.0      1
   2.68116512E1  3.67944056E-2 -1.27262252E-5  1.99075277E-9 -1.1611198E-13    2
   -5.0704577E4   -1.1742207E2  -7.32161976E0  1.16878715E-1 -8.48178765E-5    3
  3.16664852E-8-4.83026498E-12  -3.88905794E4   6.57629762E1                   4
C8O2-6                  H  16O   1C   8     G     300.0    5000.0  1390.0      1
   2.80775085E1  3.62356071E-2 -1.26509664E-5  1.99150105E-9-1.16669278E-13    2
  -5.35942431E4  -1.29972341E2  -7.86625183E0  1.18396561E-1   -8.397371E-5    3
  3.00420604E-8-4.34649753E-12  -4.09440729E4   6.36888456E1                   4
C8O3-4            -THERMH  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.76661224E1  3.58262509E-2 -1.23366126E-5  1.92398016E-9 -1.1197789E-13    2
  -3.95837952E4  -1.18935405E2  -4.46194976E0  1.13103897E-1 -8.44202701E-5    3
  3.29385814E-8-5.28604609E-12  -2.86250073E4   5.28620985E1                   4
C8O3-5                  H  16O   1C   8     G     300.0    5000.0  1396.0      1
    2.6919475E1  3.64715497E-2 -1.25621541E-5  1.95953108E-9-1.14063115E-13    2
  -4.03678092E4  -1.16350513E2   -5.5085362E0   1.1338544E-1 -8.29188825E-5    3
  3.15205162E-8-4.92028745E-12  -2.92118082E4   5.74129811E1                   4
C8O3-6                  H  16O   1C   8     G     300.0    5000.0  1395.0      1
   2.68116512E1  3.67944056E-2 -1.27262252E-5  1.99075277E-9 -1.1611198E-13    2
   -5.0704577E4   -1.1742207E2  -7.32161976E0  1.16878715E-1 -8.48178765E-5    3
  3.16664852E-8-4.83026498E-12  -3.88905794E4   6.57629762E1                   4
C8O4-5            -THERMH  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.76661224E1  3.58262509E-2 -1.23366126E-5  1.92398016E-9 -1.1197789E-13    2
  -3.95837952E4  -1.18935405E2  -4.46194976E0  1.13103897E-1 -8.44202701E-5    3
  3.29385814E-8-5.28604609E-12  -2.86250073E4   5.28620985E1                   4
C8KET1-2                H  16O   3C   8     G     300.0    5000.0  1395.0      1
   3.29156373E1  3.51547897E-2 -1.20988802E-5  1.88636243E-9-1.09770918E-13    2
  -6.16395715E4    -1.382081E2  4.02157642E-1  1.13203621E-1 -8.45311281E-5    3
  3.28035992E-8 -5.2169493E-12  -5.05565676E4   3.56681599E1                   4
C8KET1-3                H  16O   3C   8     G     300.0    5000.0  1391.0      1
   3.17577054E1  3.60508092E-2 -1.23877493E-5  1.92927735E-9-1.12179431E-13    2
  -6.22384267E4  -1.30812228E2   2.83817815E0  1.02616118E-1 -7.13679806E-5    3
   2.5983652E-8-3.93001195E-12  -5.20329734E4   2.49615442E1                   4
C8KET1-4                H  16O   3C   8     G     300.0    5000.0  1391.0      1
   3.17577054E1  3.60508092E-2 -1.23877493E-5  1.92927735E-9-1.12179431E-13    2
  -6.22384267E4  -1.30812228E2   2.83817815E0  1.02616118E-1 -7.13679806E-5    3
   2.5983652E-8-3.93001195E-12  -5.20329734E4   2.49615442E1                   4
C8KET1-5                H  16O   3C   8     G     300.0    5000.0  1391.0      1
   3.17577054E1  3.60508092E-2 -1.23877493E-5  1.92927735E-9-1.12179431E-13    2
  -6.22384267E4  -1.30812228E2   2.83817815E0  1.02616118E-1 -7.13679806E-5    3
   2.5983652E-8-3.93001195E-12  -5.20329734E4   2.49615442E1                   4
C8KET2-1                H  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.22584985E1  3.57728548E-2 -1.23240076E-5  1.92263864E-9-1.11925736E-13    2
  -6.30033492E4  -1.33202684E2  1.63025423E-1  1.14154176E-1 -8.72854248E-5    3
  3.52536506E-8 -5.8819676E-12   -5.2123214E4    3.8087366E1                   4
C8KET2-3                H  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.24895629E1  3.56544647E-2 -1.23005438E-5  1.92079745E-9-1.11892595E-13    2
  -6.54313413E4  -1.36249553E2  1.31353035E-1  1.14757127E-1 -8.80978044E-5    3
  3.57147162E-8-5.98042183E-12  -5.44644035E4   3.64242575E1                   4
C8KET2-4                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET2-5                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET2-6                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET3-1                H  16O   3C   8     G     300.0    5000.0  1386.0      1
   3.10701534E1  3.67494763E-2 -1.26545162E-5  1.97362983E-9-1.14872547E-13    2
  -6.42525299E4  -1.26049282E2   3.47460655E0  9.88492057E-2 -6.66462847E-5    3
  2.37690328E-8-3.57984299E-12  -5.42971297E4   2.32237617E1                   4
C8KET3-2                H  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.24895629E1  3.56544647E-2 -1.23005438E-5  1.92079745E-9-1.11892595E-13    2
  -6.54313413E4  -1.36249553E2  1.31353035E-1  1.14757127E-1 -8.80978044E-5    3
  3.57147162E-8-5.98042183E-12  -5.44644035E4   3.64242575E1                   4
C8KET3-4                H  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.24895629E1  3.56544647E-2 -1.23005438E-5  1.92079745E-9-1.11892595E-13    2
  -6.54313413E4  -1.36249553E2  1.31353035E-1  1.14757127E-1 -8.80978044E-5    3
  3.57147162E-8-5.98042183E-12  -5.44644035E4   3.64242575E1                   4
C8KET3-5                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET3-6                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET3-7                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET4-1                H  16O   3C   8     G     300.0    5000.0  1386.0      1
   3.10701534E1  3.67494763E-2 -1.26545162E-5  1.97362983E-9-1.14872547E-13    2
  -6.42525299E4  -1.26049282E2   3.47460655E0  9.88492057E-2 -6.66462847E-5    3
  2.37690328E-8-3.57984299E-12  -5.42971297E4   2.32237617E1                   4
C8KET4-2                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET4-3                H  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.24895629E1  3.56544647E-2 -1.23005438E-5  1.92079745E-9-1.11892595E-13    2
  -6.54313413E4  -1.36249553E2  1.31353035E-1  1.14757127E-1 -8.80978044E-5    3
  3.57147162E-8-5.98042183E-12  -5.44644035E4   3.64242575E1                   4
C8KET4-5                H  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.24895629E1  3.56544647E-2 -1.23005438E-5  1.92079745E-9-1.11892595E-13    2
  -6.54313413E4  -1.36249553E2  1.31353035E-1  1.14757127E-1 -8.80978044E-5    3
  3.57147162E-8-5.98042183E-12  -5.44644035E4   3.64242575E1                   4
C8KET4-6                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET4-7                H  16O   3C   8     G     300.0    5000.0  1388.0      1
   3.14310869E1  3.63369202E-2 -1.24886333E-5  1.94527218E-9-1.13121348E-13    2
  -6.60534981E4   -1.2937502E2   2.58603185E0  1.04039725E-1 -7.46378508E-5    3
  2.86060326E-8-4.60861991E-12  -5.59426903E4   2.56392551E1                   4
C8KET4-8                H  16O   3C   8     G     300.0    5000.0  1386.0      1
   3.10701534E1  3.67494763E-2 -1.26545162E-5  1.97362983E-9-1.14872547E-13    2
  -6.42525299E4  -1.26049282E2   3.47460655E0  9.88492057E-2 -6.66462847E-5    3
  2.37690328E-8-3.57984299E-12  -5.42971297E4   2.32237617E1                   4
C8H17COCH2        -THERMH  19O   1C  10     G     300.0    5000.0  2042.0      1
   3.84899756E1  4.26845993E-2 -1.60270313E-5  2.65608399E-9-1.61444591E-13    2
  -3.97530462E4  -1.66463759E2  4.56546011E-1  1.23776239E-1 -7.54870517E-5    3
  1.98898518E-8-1.67763055E-12  -2.65391204E4   3.94703005E1                   4
C7H15COCH2        -THERMH  17O   1C   9     G     300.0    5000.0  1675.0      1
   3.58965716E1  3.71930374E-2  -1.4005686E-5  2.32553498E-9-1.41539827E-13    2
   -3.5872353E4  -1.54078749E2  5.16583383E-1  1.12407727E-1 -6.85586848E-5    3
  1.76701667E-8-1.36870759E-12  -2.36275696E4   3.74879949E1                   4
C6H13COCH2        -THERMH  15O   1C   8     G     300.0    5000.0  1555.0      1
   3.87539007E1  2.49169377E-2 -9.01596404E-6  1.45340658E-9-8.65628452E-14    2
  -3.49119513E4  -1.73607327E2  8.36464184E-1  1.00647436E-1 -5.85463682E-5    3
  1.15405768E-8 2.54850561E-13  -2.07962185E4   3.40368885E1                   4
C5H11COCH2              H  13O   1C   7     G     300.0    5000.0  1479.0      1
    3.5921473E1  1.98490061E-2 -7.20844329E-6  1.16483926E-9-6.94927184E-14    2
  -3.07299323E4  -1.59511471E2 -2.06119129E-1  9.63734387E-2 -6.29449946E-5    3
  1.63184956E-8  -9.382936E-13  -1.77842967E4   3.66662355E1                   4
C8COC2H4P               H  21O   1C  11     G     300.0    5000.0  1386.0      1
   3.49083552E1  4.79102428E-2 -1.64093829E-5  2.55007243E-9-1.48053189E-13    2
  -3.89636179E4  -1.47044963E2  9.31871416E-1  1.23685085E-1 -8.14206547E-5    3
  2.83449132E-8-4.16942373E-12  -2.66398956E4   3.69832208E1                   4
C7COC2H4P         -THERMH  19O   1C  10     G     300.0    5000.0  1385.0      1
   3.17683863E1  4.33663974E-2 -1.48437685E-5  2.30586334E-9-1.33840138E-13    2
  -3.48749038E4  -1.31610868E2   1.13462855E0  1.11573187E-1 -7.32709789E-5    3
  2.54649296E-8-3.74404766E-12  -2.37473958E4   3.43607161E1                   4
C6COC2H4P               H  17O   1C   9     G     300.0    5000.0  1384.0      1
   2.86428785E1  3.87988606E-2 -1.32678075E-5  2.05983952E-9-1.19514158E-13    2
  -3.07916295E4  -1.16257313E2    1.3435275E0  9.94279787E-2 -6.50576373E-5    3
  2.25354183E-8-3.30599781E-12  -2.08557172E4   3.17107321E1                   4
C5COC2H4P               H  15O   1C   8     G     300.0    5000.0  1383.0      1
   2.54583317E1  3.43402731E-2 -1.17414395E-5  1.82273018E-9 -1.0575232E-13    2
  -2.66900665E4  -1.00582601E2   1.59052176E0  8.71428219E-2 -5.67022155E-5    3
   1.9573652E-8  -2.871518E-12  -1.79703663E4   2.88793991E1                   4
C4COC2H4P               H  13O   1C   7     G     300.0    5000.0  1381.0      1
     2.251192E1  2.94746899E-2 -1.00348912E-5  1.55377231E-9-8.99981839E-14    2
  -2.26732787E4  -8.62251594E1   1.80119964E0  7.49149749E-2 -4.81985328E-5    3
  1.63384955E-8-2.34378313E-12  -1.50775486E4   2.62335364E1                   4
C8COC3H6P         -THERMH  23O   1C  12     G     300.0    5000.0  1387.0      1
   3.80562887E1  5.24410245E-2 -1.79692792E-5  2.79327669E-9-1.62203616E-13    2
  -4.30552969E4  -1.62523354E2  7.33587141E-1  1.35773706E-1 -8.95275019E-5    3
  3.11925783E-8-4.58666647E-12  -2.95330127E4   3.95855469E1                   4
C7COC3H6P         -THERMH  21O   1C  11     G     300.0    5000.0  1386.0      1
   3.49083552E1  4.79102428E-2 -1.64093829E-5  2.55007243E-9-1.48053189E-13    2
  -3.89636179E4  -1.47044963E2  9.31871416E-1  1.23685085E-1 -8.14206547E-5    3
  2.83449132E-8-4.16942373E-12  -2.66398956E4   3.69832208E1                   4
C6COC3H6P         -THERMH  19O   1C  10     G     300.0    5000.0  1385.0      1
   3.17683863E1  4.33663974E-2 -1.48437685E-5  2.30586334E-9-1.33840138E-13    2
  -3.48749038E4  -1.31610868E2   1.13462855E0  1.11573187E-1 -7.32709789E-5    3
  2.54649296E-8-3.74404766E-12  -2.37473958E4   3.43607161E1                   4
C5COC3H6P         -THERMH  17O   1C   9     G     300.0    5000.0  1384.0      1
   2.86428785E1  3.87988606E-2 -1.32678075E-5  2.05983952E-9-1.19514158E-13    2
  -3.07916295E4  -1.16257313E2    1.3435275E0  9.94279787E-2 -6.50576373E-5    3
  2.25354183E-8-3.30599781E-12  -2.08557172E4   3.17107321E1                   4
C4COC3H6P         -THERMH  15O   1C   8     G     300.0    5000.0  1383.0      1
   2.54583317E1  3.43402731E-2 -1.17414395E-5  1.82273018E-9 -1.0575232E-13    2
  -2.66900665E4  -1.00582601E2   1.59052176E0  8.71428219E-2 -5.67022155E-5    3
   1.9573652E-8  -2.871518E-12  -1.79703663E4   2.88793991E1                   4
C3COC3H6P         -THERMH  13O   1C   7     G     300.0    5000.0  1381.0      1
     2.251192E1  2.94746899E-2 -1.00348912E-5  1.55377231E-9-8.99981839E-14    2
  -2.26732787E4  -8.62251594E1   1.80119964E0  7.49149749E-2 -4.81985328E-5    3
  1.63384955E-8-2.34378313E-12  -1.50775486E4   2.62335364E1                   4
NC3H7COC2H3       -THERMH  10O   1C   6     G     300.0    5000.0  1388.0      1
   1.87183592E1  2.41363189E-2 -8.35497476E-6  1.30748276E-9-7.62747475E-14    2
  -2.96755853E4   -7.0669993E1  3.14273123E-1  6.70372965E-2 -4.78379133E-5    3
  1.84750498E-8-3.03547113E-12  -2.31437069E4   2.84247632E1                   4
NC4H9COC2H3       -THERMH  12O   1C   7     G     300.0    5000.0  1388.0      1
   2.18818919E1   2.8639126E-2 -9.90229082E-6  1.54844346E-9-9.02839943E-14    2
  -3.37726101E4  -8.62339534E1  1.26153359E-1  7.90711038E-2 -5.58451599E-5    3
   2.1247629E-8-3.43373278E-12  -2.60381588E4   3.09817177E1                   4
C5H11COC2H3       -THERMH  14O   1C   8     G     300.0    5000.0  1389.0      1
   2.50468172E1  3.31391031E-2 -1.14482905E-5  1.78916517E-9-1.04278029E-13    2
  -3.78700449E4  -1.01805394E2  -6.1115611E-2   9.1099669E-2 -6.38424556E-5    3
   2.4012419E-8-3.82997089E-12  -2.89327049E4   3.35350101E1                   4
C6H13COC2H3       -THERMH  16O   1C   9     G     300.0    5000.0  1389.0      1
   2.82126657E1  3.76372508E-2 -1.29934448E-5   2.0297339E-9-1.18262347E-13    2
  -4.19677669E4  -1.17381827E2 -2.47881926E-1  1.03125042E-1 -7.18336141E-5    3
  2.67723821E-8-4.22495392E-12  -3.18273043E4   3.60861578E1                   4
NC3H7CHCO         -THERMH   8O   1C   5     G     300.0    5000.0  1410.0      1
   1.66895213E1  1.71553097E-2  -5.6397347E-6  8.5328178E-10-4.86482271E-14    2
  -1.12942513E4   -8.5165329E1  -3.14593335E0  6.81692275E-2 -5.57166755E-5    3
  2.30473767E-8-3.78069172E-12  -5.01537387E3   1.94672015E1                   4
NC4H9CHCO         -THERMH  10O   1C   6     G     300.0    5000.0  1405.0      1
   1.93417334E1  2.15648454E-2 -7.04319719E-6   1.0605299E-9-6.02500816E-14    2
  -1.50236966E4  -9.73737401E1  -3.62611302E0  8.23513841E-2 -6.90411386E-5    3
  2.97996154E-8-5.13106023E-12  -7.87867338E3   2.32507204E1                   4
C5H11CHCO         -THERMH  12O   1C   7     G     300.0    5000.0  1402.0      1
   2.23378086E1  2.58913747E-2 -8.46373828E-6  1.27516894E-9-7.24725176E-14    2
  -1.89758499E4  -1.11762955E2  -3.81818363E0  9.47576956E-2 -7.85472142E-5    3
  3.37852048E-8-5.82579893E-12  -1.07775191E4   2.57756103E1                   4
C6H13CHCO         -THERMH  14O   1C   8     G     300.0    5000.0  1401.0      1
   2.55063371E1  3.00694197E-2 -9.83292784E-6  1.48180364E-9-8.42301329E-14    2
   -2.3022168E4  -1.27211902E2  -4.68971563E0  1.09741296E-1 -9.11916944E-5    3
  3.93862756E-8-6.82414647E-12  -1.35636575E4   3.15291982E1                   4
C7H15CHCO         -THERMH  16O   1C   9     G     300.0    5000.0  1398.0      1
   2.86422822E1   3.4483329E-2 -1.13268686E-5  1.71223288E-9-9.75422355E-14    2
  -2.70838449E4  -1.42535587E2   -4.1898256E0  1.18935099E-1 -9.53601301E-5    3
  3.99347015E-8-6.75521437E-12  -1.65667511E4   3.08610014E1                   4
NC8H17CHO         -THERMH  18O   1C   9     G     300.0    5000.0  1387.0      1
   2.93159876E1  4.08274135E-2 -1.39769225E-5  2.17133596E-9-1.26033874E-13    2
  -5.20235184E4  -1.22423234E2  7.56488136E-1  1.02972015E-1 -6.49910881E-5    3
  2.10892072E-8-2.82096095E-12  -4.15508169E4    3.2744441E1                   4
NC7H15CHO         -THERMH  16O   1C   8     G     300.0    5000.0  1386.0      1
   2.61609074E1  3.62858837E-2 -1.24097058E-5  1.92662114E-9-1.11780863E-13    2
  -4.79259983E4  -1.06895495E2  9.66850312E-1  9.08063795E-2 -5.67710469E-5    3
  1.81650681E-8-2.38496879E-12  -3.86587355E4   3.00918692E1                   4
NC6H13CHO         -THERMH  14O   1C   7     G     300.0    5000.0  1385.0      1
   2.30172858E1  3.17488129E-2 -1.08471869E-5  1.68296998E-9-9.76031894E-14    2
  -4.38361973E4  -9.14416834E1   1.16727179E0   7.8706403E-2 -4.86434224E-5    3
   1.5302262E-8 -1.9640479E-12  -3.57659062E4   2.74799549E1                   4
NC8H17CO          -THERMH  17O   1C   9     G     300.0    5000.0  1387.0      1
   2.88955797E1  3.86794407E-2 -1.32455027E-5  2.05815859E-9 -1.1948405E-13    2
   -3.3056453E4  -1.18484329E2   1.54176205E0  9.81000826E-2 -6.18304387E-5    3
   1.9947215E-8-2.64022932E-12  -2.30234472E4   3.01557488E1                   4
NC7H15CO          -THERMH  15O   1C   8     G     300.0    5000.0  1386.0      1
   2.57444491E1  3.41545888E-2 -1.16883107E-5  1.81544096E-9 -1.0536444E-13    2
  -2.89638264E4  -1.02988707E2   1.73697916E0  8.60262622E-2 -5.37492409E-5    3
  1.71184327E-8-2.22771849E-12  -2.01298819E4    2.7567468E1                   4
NC6H13CO          -THERMH  13O   1C   7     G     300.0    5000.0  1385.0      1
   2.26023399E1  2.96151495E-2 -1.01247644E-5  1.57160977E-9-9.11755572E-14    2
   -2.4874605E4  -8.75433844E1   1.93694615E0  7.39274486E-2 -4.56214373E-5    3
  1.42542568E-8-1.80627748E-12  -1.72369679E4   2.49577995E1                   4
IC8H17CHO         -THERMH  18O   1C   9     G     300.0    5000.0  1399.0      1
     3.281417E1  3.78623815E-2 -1.29592843E-5   2.0133302E-9-1.16877343E-13    2
  -5.55574954E4  -1.50658785E2  -4.73835646E0  1.28953115E-1 -9.77373823E-5    3
  3.79675775E-8-5.96532018E-12  -4.29487702E4   4.96664629E1                   4
IC7H15CHO         -THERMH  16O   1C   8     G     300.0    5000.0  1387.0      1
   2.64545442E1  3.59288823E-2 -1.22646929E-5  1.90185967E-9 -1.1025775E-13    2
  -4.91768174E4  -1.09954176E2  1.69458957E-1  9.40384675E-2 -6.08769118E-5    3
  2.03124934E-8-2.79037244E-12  -3.96597545E4   3.24819584E1                   4
IC6H13CHO         -THERMH  14O   1C   7     G     300.0    5000.0  1386.0      1
    2.3324328E1  3.13719313E-2 -1.06938097E-5  1.65677421E-9-9.59922105E-14    2
  -4.50926593E4  -9.45763708E1  3.78322643E-1  8.18956011E-2 -5.26728386E-5    3
  1.73946496E-8 -2.3561202E-12  -3.67681089E4   2.98317934E1                   4
IC5H11CHO         -THERMH  12O   1C   6     G     300.0    5000.0  1384.0      1
   2.02213198E1   2.6770537E-2 -9.10366728E-6  1.40833319E-9-8.15189632E-14    2
  -4.10189998E4  -7.93504931E1  5.96448184E-1  6.97017613E-2 -4.43706862E-5    3
  1.43995034E-8-1.90197727E-12  -3.38776822E4   2.71403402E1                   4
IC8H17CO          -THERMH  17O   1C   9     G     300.0    5000.0  1400.0      1
   3.23974739E1  3.57309149E-2 -1.22377576E-5  1.90212277E-9-1.10459085E-13    2
  -3.65951349E4  -1.46750299E2  -3.96269682E0  1.24148652E-1 -9.46800296E-5    3
  3.68991868E-8-5.80330997E-12  -2.44207568E4    4.7116411E1                   4
IC7H15CO          -THERMH  15O   1C   8     G     300.0    5000.0  1387.0      1
   2.60399049E1  3.37941476E-2 -1.15417375E-5   1.7904005E-9-1.03823753E-13    2
  -3.02152158E4  -1.06057257E2  9.38722285E-1   8.9261587E-2  -5.7858539E-5    3
  1.92665819E-8-2.63300633E-12  -2.11307578E4   2.99616694E1                   4
IC6H13CO          -THERMH  13O   1C   7     G     300.0    5000.0  1385.0      1
    2.2914701E1  2.92273796E-2 -9.96637606E-6  1.54451281E-9-8.95076469E-14    2
  -2.61325783E4  -9.07064627E1   1.14635638E0  7.71227211E-2 -4.96572313E-5    3
  1.63467698E-8-2.19758202E-12  -1.82388957E4   2.73174554E1                   4
NC8H17COCH2       7-THERH  19O   1C  10     G     300.0    5000.0  2042.0      1
   3.84899756E1  4.26845993E-2 -1.60270313E-5  2.65608399E-9-1.61444591E-13    2
  -3.97530462E4  -1.66463759E2  4.56546011E-1  1.23776239E-1 -7.54870517E-5    3
  1.98898518E-8-1.67763055E-12  -2.65391204E4   3.94703005E1                   4
NC7H15COCH2       7-THERH  17O   1C   9     G     300.0    5000.0  1675.0      1
   3.58965716E1  3.71930374E-2  -1.4005686E-5  2.32553498E-9-1.41539827E-13    2
   -3.5872353E4  -1.54078749E2  5.16583383E-1  1.12407727E-1 -6.85586848E-5    3
  1.76701667E-8-1.36870759E-12  -2.36275696E4   3.74879949E1                   4
NC6H13COCH2       7-THERH  15O   1C   8     G     300.0    5000.0  1555.0      1
   3.87539007E1  2.49169377E-2 -9.01596404E-6  1.45340658E-9-8.65628452E-14    2
  -3.49119513E4  -1.73607327E2  8.36464184E-1  1.00647436E-1 -5.85463682E-5    3
  1.15405768E-8 2.54850561E-13  -2.07962185E4   3.40368885E1                   4
NC5H11COCH2            7H  13O   1C   7     G     300.0    5000.0  1479.0      1
    3.5921473E1  1.98490061E-2 -7.20844329E-6  1.16483926E-9-6.94927184E-14    2
  -3.07299323E4  -1.59511471E2 -2.06119129E-1  9.63734387E-2 -6.29449946E-5    3
  1.63184956E-8  -9.382936E-13  -1.77842967E4   3.66662355E1                   4
IC8H17COCH2       -THERMH  19O   1C  10     G     300.0    5000.0  1388.0      1
   3.18059152E1  4.36496001E-2 -1.50082304E-5    2.338262E-9-1.35991835E-13    2
   -3.6043691E4   -1.3367286E2  2.66245154E-1  1.13104148E-1 -7.31970332E-5    3
  2.45895217E-8-3.43933129E-12  -2.45470453E4   3.74164478E1                   4
IC7H15COCH2       -THERMH  17O   1C   9     G     300.0    5000.0  1387.0      1
   2.86416806E1  3.91512798E-2 -1.34632659E-5  2.09774764E-9-1.22011648E-13    2
  -3.19464913E4  -1.18105592E2  4.49928698E-1  1.01103006E-1 -6.52477051E-5    3
  2.18580306E-8-3.05106868E-12  -2.16522873E4   3.48772612E1                   4
IC6H13COCH2       -THERMH  15O   1C   8     G     300.0    5000.0  1387.0      1
   2.54799342E1  3.46510281E-2 -1.19176877E-5  1.85714397E-9-1.08026552E-13    2
  -2.78502212E4  -1.02552478E2  6.34329314E-1  8.91046224E-2 -5.73033484E-5    3
  1.91297536E-8-2.66355611E-12  -1.87578278E4   3.23333605E1                   4
IC5H11COCH2       -THERMH  13O   1C   7     G     300.0    5000.0  1385.0      1
   2.23906284E1   3.0022057E-2 -1.03138097E-5  1.60606857E-9-9.33785957E-14    2
  -2.37791981E4  -8.74004358E1  7.74443533E-1  7.72162501E-2 -4.93897043E-5    3
  1.63333532E-8 -2.2453525E-12  -1.58546625E4   3.00108923E1                   4
IC4H9COCH2        -THERMH  11O   1C   6     G     300.0    5000.0  1388.0      1
   2.00550742E1  2.50289534E-2 -8.64295538E-6  1.35045324E-9-7.86996381E-14    2
  -2.32692903E4  -7.96295398E1 -8.85109555E-3  7.18485099E-2 -5.13644229E-5    3
  1.95806869E-8-3.14088023E-12  -1.62014899E4   2.83041302E1                   4
NC8H17COC2H4P       0--7H  21O   1C  11     G     300.0    5000.0  1386.0      1
   3.49083552E1  4.79102428E-2 -1.64093829E-5  2.55007243E-9-1.48053189E-13    2
  -3.89636179E4  -1.47044963E2  9.31871416E-1  1.23685085E-1 -8.14206547E-5    3
  2.83449132E-8-4.16942373E-12  -2.66398956E4   3.69832208E1                   4
NC7H15COC2H4P     0--7-RH  19O   1C  10     G     300.0    5000.0  1385.0      1
   3.17683863E1  4.33663974E-2 -1.48437685E-5  2.30586334E-9-1.33840138E-13    2
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  2.54649296E-8-3.74404766E-12  -2.37473958E4   3.43607161E1                   4
NC6H13COC2H4P       0--7H  17O   1C   9     G     300.0    5000.0  1384.0      1
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  2.25354183E-8-3.30599781E-12  -2.08557172E4   3.17107321E1                   4
NC5H11COC2H4P       0--7H  15O   1C   8     G     300.0    5000.0  1383.0      1
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   1.9573652E-8  -2.871518E-12  -1.79703663E4   2.88793991E1                   4
NC4H9COC2H4P           7H  13O   1C   7     G     300.0    5000.0  1381.0      1
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IC8H17COC2H4P     -THERMH  21O   1C  11     G     300.0    5000.0  1386.0      1
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IC7H15COC2H4P     -THERMH  19O   1C  10     G     300.0    5000.0  1386.0      1
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IC6H13COC2H4P     -THERMH  17O   1C   9     G     300.0    5000.0  1385.0      1
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  2.45677369E-8-3.68258199E-12  -2.18588487E4   3.40361432E1                   4
IC5H11COC2H4P     -THERMH  15O   1C   8     G     300.0    5000.0  1383.0      1
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IC4H9COC2H4P      -THERMH  13O   1C   7     G     300.0    5000.0  1380.0      1
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NC8H17COC2H3      -THERMH  20O   1C  11     G     300.0    5000.0  1388.0      1
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NC7H15COC2H3      -THERMH  18O   1C  10     G     300.0    5000.0  1388.0      1
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NC6H13COC2H3      -THERMH  16O   1C   9     G     300.0    5000.0  1389.0      1
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  2.67723821E-8-4.22495392E-12  -3.18273043E4   3.60861578E1                   4
NC5H11COC2H3      -THERMH  14O   1C   8     G     300.0    5000.0  1389.0      1
   2.50468172E1  3.31391031E-2 -1.14482905E-5  1.78916517E-9-1.04278029E-13    2
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   2.4012419E-8-3.82997089E-12  -2.89327049E4   3.35350101E1                   4
NC8H17COC3H6P     0--7-TH  23O   1C  12     G     300.0    5000.0  1387.0      1
   3.80562887E1  5.24410245E-2 -1.79692792E-5  2.79327669E-9-1.62203616E-13    2
  -4.30552969E4  -1.62523354E2  7.33587141E-1  1.35773706E-1 -8.95275019E-5    3
  3.11925783E-8-4.58666647E-12  -2.95330127E4   3.95855469E1                   4
NC7H15COC3H6P     0--7-TH  21O   1C  11     G     300.0    5000.0  1386.0      1
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  2.83449132E-8-4.16942373E-12  -2.66398956E4   3.69832208E1                   4
NC6H13COC3H6P     0--7-TH  19O   1C  10     G     300.0    5000.0  1385.0      1
   3.17683863E1  4.33663974E-2 -1.48437685E-5  2.30586334E-9-1.33840138E-13    2
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  2.54649296E-8-3.74404766E-12  -2.37473958E4   3.43607161E1                   4
NC5H11COC3H6P     0--7-TH  17O   1C   9     G     300.0    5000.0  1384.0      1
   2.86428785E1  3.87988606E-2 -1.32678075E-5  2.05983952E-9-1.19514158E-13    2
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  2.25354183E-8-3.30599781E-12  -2.08557172E4   3.17107321E1                   4
NC4H9COC3H6P      --7-THH  15O   1C   8     G     300.0    5000.0  1383.0      1
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   1.9573652E-8  -2.871518E-12  -1.79703663E4   2.88793991E1                   4
NC3H7COC3H6P      --7-THH  13O   1C   7     G     300.0    5000.0  1381.0      1
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  1.63384955E-8-2.34378313E-12  -1.50775486E4   2.62335364E1                   4
IC8H17COC3H6P     -THERMH  23O   1C  12     G     300.0    5000.0  1387.0      1
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IC7H15COC3H6P     -THERMH  21O   1C  11     G     300.0    5000.0  1386.0      1
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  3.04818489E-8 -4.5723644E-12  -2.76411918E4   3.93697954E1                   4
IC6H13COC3H6P     -THERMH  19O   1C  10     G     300.0    5000.0  1386.0      1
    3.2074869E1  4.29892033E-2 -1.46900251E-5  2.27957739E-9-1.32222392E-13    2
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  2.75583466E-8-4.13599042E-12   -2.4749461E4   3.67217406E1                   4
IC5H11COC3H6P     -THERMH  17O   1C   9     G     300.0    5000.0  1385.0      1
   2.89690481E1  3.83906963E-2  -1.3100797E-5  2.03125656E-9-1.17754819E-13    2
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IC4H9COC3H6P      -THERMH  15O   1C   8     G     300.0    5000.0  1383.0      1
   2.59055373E1  3.37261362E-2  -1.1483411E-5  1.77807807E-9-1.02988621E-13    2
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IC3H7COC3H6P      -THERMH  13O   1C   7     G     300.0    5000.0  1389.0      1
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NC5H11CHCO        7-THERH  12O   1C   7     G     300.0    5000.0  1402.0      1
   2.23378086E1  2.58913747E-2 -8.46373828E-6  1.27516894E-9-7.24725176E-14    2
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  3.37852048E-8-5.82579893E-12  -1.07775191E4   2.57756103E1                   4
NC6H13CHCO        7-THERH  14O   1C   8     G     300.0    5000.0  1401.0      1
   2.55063371E1  3.00694197E-2 -9.83292784E-6  1.48180364E-9-8.42301329E-14    2
   -2.3022168E4  -1.27211902E2  -4.68971563E0  1.09741296E-1 -9.11916944E-5    3
  3.93862756E-8-6.82414647E-12  -1.35636575E4   3.15291982E1                   4
NC7H15CHCO        7-THERH  16O   1C   9     G     300.0    5000.0  1398.0      1
   2.86422822E1   3.4483329E-2 -1.13268686E-5  1.71223288E-9-9.75422355E-14    2
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  3.99347015E-8-6.75521437E-12  -1.65667511E4   3.08610014E1                   4
IC3H7COC2H3       6-THRMH  10O   1C   6     G     300.0    5000.0  1392.0      1
   1.92038956E1  2.37201947E-2  -8.2117771E-6  1.28526153E-9-7.49892123E-14    2
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  2.15565231E-8-3.49628958E-12  -2.36342856E4    3.7871468E1                   4
IC3H6COC2H3       6-THRMH   9O   1C   6     G     300.0    5000.0  1392.0      1
   1.87930502E1  2.15620206E-2 -7.47633436E-6  1.17140015E-9-6.83971779E-14    2
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  2.09440328E-8-3.44229435E-12   9.80415635E2   3.65231635E1                   4
TC3H6COC2H3       6-THRMH   9O   1C   6     G     300.0    5000.0  1382.0      1
   1.74889119E1  2.27387392E-2 -7.89761331E-6  1.23876571E-9-7.23848454E-14    2
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  6.81679158E-9-4.63504295E-13  -1.79476213E3   2.35172623E1                   4
C8H15             -THERMH  15C   8          G     300.0    5000.0  1385.0      1
   2.33542716E1  3.34308759E-2 -1.13090513E-5  1.74349916E-9-1.00683122E-13    2
  -7.12870223E1   -9.2146055E1  -1.06767837E0  8.52582925E-2 -5.12151748E-5    3
  1.47537449E-8-1.56139848E-12   8.90562157E3   4.08246085E1                   4
EC6H13            -THERMH  13C   6          G     300.0    5000.0  1392.0      1
   1.85074039E1  2.86218271E-2 -9.82105187E-6   1.5278388E-9-8.87609934E-14    2
  -6.27646161E3  -7.18043432E1 -7.21275521E-1  7.04218954E-2 -4.41509022E-5    3
  1.42843117E-8-1.91164474E-12   7.89482151E2   3.26985381E1                   4
DC6H13            -THERMH  13C   6          G     300.0    5000.0  1385.0      1
   1.82241682E1  2.84884867E-2  -9.6980061E-6  1.50105127E-9-8.69082914E-14    2
   -7.5841381E3  -6.97809262E1 -3.90316852E-1  6.59532054E-2 -3.61095592E-5    3
   8.7947391E-9-6.27301518E-13  -5.05045378E2   3.23470949E1                   4
DC6H12            -THERMH  12C   6          G     300.0    5000.0  1393.0      1
   1.78016854E1  2.70503442E-2 -9.26880883E-6  1.44060726E-9-8.36409602E-14    2
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CC6H12            -THERMH  12C   6          G     300.0    5000.0  1393.0      1
   1.72953713E1  2.74904466E-2 -9.42213872E-6  1.46464229E-9-8.50427572E-14    2
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IC6H11            -THERMH  11C   6          G     300.0    5000.0  1390.0      1
   1.64032377E1  2.62333073E-2 -9.01322879E-6  1.40344925E-9-8.15881244E-14    2
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  9.98771238E-9-1.04320041E-12    6.0486913E3   2.99991413E1                   4
! [_ SMILES="C[CH]C(=C)C" _]
! [_ INCHI="INCHI=1/C5H9/C1-4-5(2)3/H4H,2H2,1,3H3" _]
IC5H9                   H   9C   5          G     300.0    5000.0  1385.0      1
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   1.0362805E-8-1.36066533E-12   1.05922826E4   2.65205225E1                   4
C7H16-2           -THERMH  16C   7          G     300.0    5000.0  1392.0      1
   2.21573551E1  3.51221368E-2 -1.20277506E-5  1.86869531E-9-1.08466169E-13    2
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  1.82531514E-8-2.47030871E-12   -2.6691505E4   3.74676492E1                   4
C7H15-2A          -THERMH  15C   7          G     300.0    5000.0  1391.0      1
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  1.77630167E-8-2.44822217E-12   -2.0761215E3   3.61773852E1                   4
C7H15-2B          -THERMH  15C   7          G     300.0    5000.0  1383.0      1
   2.01901495E1  3.43074487E-2 -1.17599178E-5  1.82821037E-9 -1.0616066E-13    2
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  2.66900496E-9 7.12491339E-13  -4.81378049E3   2.19249876E1                   4
C7H15-2C          -THERMH  15C   7          G     300.0    5000.0  1386.0      1
   2.14812578E1  3.28090626E-2 -1.11611482E-5  1.72676376E-9-9.99477532E-14    2
  -1.17051698E4  -8.58440544E1 -6.56081506E-1  7.82943541E-2 -4.44575036E-5    3
  1.16720692E-8-1.02741027E-12  -3.38720399E3   3.52690259E1                   4
C7H15-2D          -THERMH  15C   7          G     300.0    5000.0  1386.0      1
   2.14812578E1  3.28090626E-2 -1.11611482E-5  1.72676376E-9-9.99477532E-14    2
  -1.17051698E4  -8.58440544E1 -6.56081506E-1  7.82943541E-2 -4.44575036E-5    3
  1.16720692E-8-1.02741027E-12  -3.38720399E3   3.52690259E1                   4
C7H15-2E          -THERMH  15C   7          G     300.0    5000.0  1386.0      1
   2.14812578E1  3.28090626E-2 -1.11611482E-5  1.72676376E-9-9.99477532E-14    2
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  1.16720692E-8-1.02741027E-12  -3.38720399E3   3.52690259E1                   4
C7H15-2F          -THERMH  15C   7          G     300.0    5000.0  1391.0      1
   2.17822845E1  3.29533278E-2 -1.12931731E-5  1.75545419E-9-1.01930294E-13    2
  -1.04081331E4  -8.79817471E1  -1.11072725E0  8.33824758E-2 -5.34420875E-5    3
  1.77630167E-8-2.44822217E-12   -2.0761215E3   3.61773852E1                   4
C7H14-1-2         -THERMH  14C   7          G     300.0    5000.0  1392.0      1
   2.10362326E1  3.12251826E-2 -1.06455286E-5  1.64909068E-9-9.55267368E-14    2
  -2.00231696E4  -8.49618607E1 -8.12686348E-1  8.00476466E-2 -5.21693265E-5    3
  1.77322031E-8-2.50122983E-12  -1.21587692E4   3.32583208E1                   4
C7H14-2-2         -THERMH  14C   7          G     300.0    5000.0  1390.0      1
   2.05656232E1  3.16497617E-2 -1.07973115E-5  1.67332326E-9-9.69591372E-14    2
  -2.13686698E4  -8.27699732E1 -3.01805124E-1  7.66329754E-2 -4.71321587E-5    3
   1.4804815E-8-1.89778384E-12  -1.36779373E4   3.07486792E1                   4
C7H14-3-2         -THERMH  14C   7          G     300.0    5000.0  1394.0      1
   2.06379464E1  3.18314918E-2  -1.0911843E-5  1.69644803E-9-9.85132184E-14    2
   -2.0674387E4  -8.37547871E1  -2.60103495E0  8.51300632E-2 -5.80985471E-5    3
  2.09882767E-8-3.17656976E-12  -1.24292585E4   4.15292356E1                   4
C7H14-4-2         -THERMH  14C   7          G     300.0    5000.0  1391.0      1
   2.05779048E1   3.1832854E-2 -1.09023323E-5  1.69400284E-9-9.83344363E-14    2
  -2.08520999E4  -8.35535452E1  -1.63398093E0  8.09693755E-2 -5.22302764E-5    3
  1.75253094E-8-2.44383604E-12  -1.27893782E4   3.68369385E1                   4
C7H14-5-2         -THERMH  14C   7          G     300.0    5000.0  1393.0      1
    2.1056247E1  3.14023166E-2 -1.07486287E-5   1.6694846E-9-9.68859802E-14    2
  -1.95101121E4  -8.57912676E1  -2.17155975E0  8.45061604E-2 -5.74394785E-5    3
  2.05540405E-8-3.06881014E-12   -1.1266348E4   3.94690777E1                   4
C7H13-1-2         -THERMH  13C   7          G     300.0    5000.0  1393.0      1
   1.99989741E1  2.98803959E-2 -1.02501858E-5  1.59430179E-9-9.26098209E-14    2
    8.4877995E3   -7.8104696E1 -8.49253696E-1   7.6710049E-2   -5.065337E-5    3
   1.7645996E-8-2.58198816E-12   1.59993729E4   3.46670799E1                   4
C7H15O-1-2        -THERMH  15O   1C   7     G     300.0    5000.0  1390.0      1
   2.43147199E1  3.30800456E-2 -1.13730042E-5  1.77183606E-9-1.03047832E-13    2
  -2.79820473E4  -1.00164426E2  -1.14072408E0  9.00522658E-2 -5.98579998E-5    3
  2.05391918E-8-2.90515093E-12  -1.88396441E4   3.75200824E1                   4
C7H15O-2-2        -THERMH  15O   1C   7     G     300.0    5000.0  1391.0      1
   2.49867461E1  3.25876894E-2 -1.12196878E-5  1.74955928E-9-1.01815611E-13    2
  -3.15436184E4  -1.05320176E2  -1.22127853E0  9.36485566E-2 -6.63948811E-5    3
  2.48551339E-8-3.88339872E-12  -2.23480297E4   3.56211511E1                   4
C7H15O-3-2        -THERMH  15O   1C   7     G     300.0    5000.0  1391.0      1
   2.49352605E1  3.28468634E-2 -1.13564911E-5  1.77582857E-9-1.03543384E-13    2
  -3.04184368E4  -1.04765975E2    -2.122968E0  9.63786617E-2 -6.95332892E-5    3
  2.65865134E-8-4.25056519E-12   -2.0953107E4   4.06080548E1                   4
C7H15O-4-2        -THERMH  15O   1C   7     G     300.0    5000.0  1391.0      1
   2.49352605E1  3.28468634E-2 -1.13564911E-5  1.77582857E-9-1.03543384E-13    2
  -3.04184368E4  -1.04765975E2    -2.122968E0  9.63786617E-2 -6.95332892E-5    3
  2.65865134E-8-4.25056519E-12   -2.0953107E4   4.06080548E1                   4
C7H15O-5-2        -THERMH  15O   1C   7     G     300.0    5000.0  1391.0      1
   2.49352605E1  3.28468634E-2 -1.13564911E-5  1.77582857E-9-1.03543384E-13    2
  -3.04184368E4  -1.04765975E2    -2.122968E0  9.63786617E-2 -6.95332892E-5    3
  2.65865134E-8-4.25056519E-12   -2.0953107E4   4.06080548E1                   4
C7H15O-6-2        -THERMH  15O   1C   7     G     300.0    5000.0  1390.0      1
   2.43147199E1  3.30800456E-2 -1.13730042E-5  1.77183606E-9-1.03047832E-13    2
  -2.79820473E4  -1.00164426E2  -1.14072408E0  9.00522658E-2 -5.98579998E-5    3
  2.05391918E-8-2.90515093E-12  -1.88396441E4   3.75200824E1                   4
C7H15OO-1-2       -THERMH  15O   2C   7     G     300.0    5000.0  1394.0      1
   2.46115587E1  3.54283158E-2 -1.20968707E-5  1.87554973E-9-1.08701847E-13    2
  -2.98582261E4  -9.78787463E1   1.79487465E0  8.60290727E-2  -5.5018331E-5    3
  1.85780593E-8-2.64005989E-12  -2.15630035E4   2.57863755E1                   4
C7H15OO-2-2       -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.49649822E1  3.49060398E-2 -1.18664143E-5  1.83424595E-9-1.06078208E-13    2
   -3.2775657E4  -1.01652554E2   1.35995046E0     9.15473E-2 -6.53489248E-5    3
  2.54619033E-8-4.19252803E-12  -2.46147944E4   2.47759612E1                   4
C7H15OO-3-2       -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.49794455E1  3.49875192E-2 -1.19164164E-5  1.84442337E-9-1.06769712E-13    2
  -3.16558927E4  -1.01224343E2  9.53749765E-1  9.10141804E-2 -6.26927368E-5    3
  2.31984546E-8-3.61634254E-12  -2.32159802E4   2.79855083E1                   4
C7H15OO-4-2       -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.49794455E1  3.49875192E-2 -1.19164164E-5  1.84442337E-9-1.06769712E-13    2
  -3.16558927E4  -1.01224343E2  9.53749765E-1  9.10141804E-2 -6.26927368E-5    3
  2.31984546E-8-3.61634254E-12  -2.32159802E4   2.79855083E1                   4
C7H15OO-5-2       -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.49794455E1  3.49875192E-2 -1.19164164E-5  1.84442337E-9-1.06769712E-13    2
  -3.16558927E4  -1.01224343E2  9.53749765E-1  9.10141804E-2 -6.26927368E-5    3
  2.31984546E-8-3.61634254E-12  -2.32159802E4   2.79855083E1                   4
C7H15OO-6-2       -THERMH  15O   2C   7     G     300.0    5000.0  1394.0      1
   2.46115587E1  3.54283158E-2 -1.20968707E-5  1.87554973E-9-1.08701847E-13    2
  -2.98582261E4  -9.78787463E1   1.79487465E0  8.60290727E-2  -5.5018331E-5    3
  1.85780593E-8-2.64005989E-12  -2.15630035E4   2.57863755E1                   4
C7H15OOH-1-2      -THERMH  16O   2C   7     G     300.0    5000.0  1395.0      1
   2.70752208E1  3.55855345E-2 -1.21814376E-5   1.8920999E-9-1.09807092E-13    2
  -4.77711997E4  -1.12178281E2  8.71043278E-1   9.4709451E-2 -6.29674893E-5    3
  2.17315596E-8-3.09392462E-12  -3.84184266E4   2.93670522E1                   4
C7H15OOH-2-2      -THERMH  16O   2C   7     G     300.0    5000.0  1399.0      1
   2.74295174E1  3.50389357E-2 -1.19374809E-5  1.84816492E-9-1.07009307E-13    2
  -5.06836723E4  -1.15944206E2  4.28216667E-1  1.00244263E-1 -7.33074909E-5    3
  2.85995834E-8-4.63780622E-12  -4.14684882E4    2.8397259E1                   4
C7H15OOH-3-2      -THERMH  16O   2C   7     G     300.0    5000.0  1398.0      1
   2.74368016E1  3.51723192E-2  -1.2015353E-5  1.86371733E-9-1.08054831E-13    2
  -4.95739057E4  -1.15505583E2 -1.46493739E-2  9.98640992E-2 -7.08885971E-5    3
  2.65194711E-8-4.11124646E-12   -4.0063783E4   3.17791318E1                   4
C7H15OOH-4-2      -THERMH  16O   2C   7     G     300.0    5000.0  1398.0      1
   2.74368016E1  3.51723192E-2  -1.2015353E-5  1.86371733E-9-1.08054831E-13    2
  -4.95739057E4  -1.15505583E2 -1.46493739E-2  9.98640992E-2 -7.08885971E-5    3
  2.65194711E-8-4.11124646E-12   -4.0063783E4   3.17791318E1                   4
C7H15OOH-5-2      -THERMH  16O   2C   7     G     300.0    5000.0  1398.0      1
   2.74368016E1  3.51723192E-2  -1.2015353E-5  1.86371733E-9-1.08054831E-13    2
  -4.95739057E4  -1.15505583E2 -1.46493739E-2  9.98640992E-2 -7.08885971E-5    3
  2.65194711E-8-4.11124646E-12   -4.0063783E4   3.17791318E1                   4
C7H15OOH-6-2      -THERMH  16O   2C   7     G     300.0    5000.0  1395.0      1
   2.70752208E1  3.55855345E-2 -1.21814376E-5   1.8920999E-9-1.09807092E-13    2
  -4.77711997E4  -1.12178281E2  8.71043278E-1   9.4709451E-2 -6.29674893E-5    3
  2.17315596E-8-3.09392462E-12  -3.84184266E4   2.93670522E1                   4
C7OOH1-2A         -THERMH  15O   2C   7     G     300.0    5000.0  1395.0      1
   2.66513098E1  3.34550852E-2   -1.145912E-5  1.78064898E-9-1.03369762E-13    2
  -2.27067668E4  -1.07049029E2   1.62409757E0  9.02012599E-2 -6.05443399E-5    3
  2.11316934E-8-3.04625619E-12  -1.38025282E4   2.80392618E1                   4
C7OOH1-2B         -THERMH  15O   2C   7     G     300.0    5000.0  1385.0      1
   2.56321618E1  3.44023075E-2 -1.18049133E-5  1.83668697E-9-1.06718558E-13    2
  -2.47708522E4  -1.00535552E2   4.76214885E0  7.32199597E-2  -3.4876516E-5    3
  5.55200459E-9 2.99129104E-13  -1.64959846E4   1.51290194E1                   4
C7OOH1-2C         -THERMH  15O   2C   7     G     300.0    5000.0  1387.0      1
    2.7007701E1  3.21457119E-2 -1.08043166E-5  1.65878578E-9-9.55249207E-14    2
  -2.42099355E4  -1.08498611E2   1.67088385E0  8.67127554E-2 -5.32402196E-5    3
  1.54826095E-8-1.60773831E-12  -1.50491403E4   2.90485478E1                   4
C7OOH1-2D         -THERMH  15O   2C   7     G     300.0    5000.0  1387.0      1
    2.7007701E1  3.21457119E-2 -1.08043166E-5  1.65878578E-9-9.55249207E-14    2
  -2.42099355E4  -1.08498611E2   1.67088385E0  8.67127554E-2 -5.32402196E-5    3
  1.54826095E-8-1.60773831E-12  -1.50491403E4   2.90485478E1                   4
C7OOH1-2E         -THERMH  15O   2C   7     G     300.0    5000.0  1387.0      1
    2.7007701E1  3.21457119E-2 -1.08043166E-5  1.65878578E-9-9.55249207E-14    2
  -2.42099355E4  -1.08498611E2   1.67088385E0  8.67127554E-2 -5.32402196E-5    3
  1.54826095E-8-1.60773831E-12  -1.50491403E4   2.90485478E1                   4
C7OOH2-2A         -THERMH  15O   2C   7     G     300.0    5000.0  1398.0      1
   2.70041284E1  3.29366149E-2 -1.12307349E-5  1.73974988E-9-1.00773051E-13    2
   -2.5626494E4  -1.10824748E2   1.18963752E0  9.56910826E-2 -7.08159892E-5    3
  2.79765267E-8-4.59024872E-12  -1.68536427E4   2.70323798E1                   4
C7OOH2-2C         -THERMH  15O   2C   7     G     300.0    5000.0  1395.0      1
   2.73266905E1  3.16654821E-2 -1.05907424E-5  1.62033013E-9-9.30746722E-14    2
  -2.71125805E4  -1.12074203E2   1.25731349E0   9.2139692E-2 -6.34733768E-5    3
  2.23277259E-8-3.15499019E-12  -1.81040271E4   2.79396873E1                   4
C7OOH2-2D         -THERMH  15O   2C   7     G     300.0    5000.0  1395.0      1
   2.73266905E1  3.16654821E-2 -1.05907424E-5  1.62033013E-9-9.30746722E-14    2
  -2.71125805E4  -1.12074203E2   1.25731349E0   9.2139692E-2 -6.34733768E-5    3
  2.23277259E-8-3.15499019E-12  -1.81040271E4   2.79396873E1                   4
C7OOH2-2E         -THERMH  15O   2C   7     G     300.0    5000.0  1395.0      1
   2.73266905E1  3.16654821E-2 -1.05907424E-5  1.62033013E-9-9.30746722E-14    2
  -2.71125805E4  -1.12074203E2   1.25731349E0   9.2139692E-2 -6.34733768E-5    3
  2.23277259E-8-3.15499019E-12  -1.81040271E4   2.79396873E1                   4
C7OOH2-2F         -THERMH  15O   2C   7     G     300.0    5000.0  1398.0      1
   2.70041284E1  3.29366149E-2 -1.12307349E-5  1.73974988E-9-1.00773051E-13    2
   -2.5626494E4  -1.10824748E2   1.18963752E0  9.56910826E-2 -7.08159892E-5    3
  2.79765267E-8-4.59024872E-12  -1.68536427E4   2.70323798E1                   4
C7OOH3-2A         -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.70143457E1  3.30413025E-2 -1.12929819E-5  1.75227247E-9-1.01618423E-13    2
  -2.45101729E4  -1.10385096E2  7.34390024E-1  9.53756296E-2 -6.84934316E-5    3
   2.5936355E-8-4.06720275E-12  -1.54473483E4   3.04694396E1                   4
C7OOH3-2B         -THERMH  15O   2C   7     G     300.0    5000.0  1391.0      1
   2.55139782E1  3.42861514E-2 -1.17157117E-5  1.81754806E-9-1.05390042E-13    2
  -2.63185721E4  -1.00951564E2   3.99216241E0  7.81853853E-2 -4.37194957E-5    3
  1.14068421E-8-1.02090171E-12  -1.81612493E4   1.69704148E1                   4
C7OOH3-2D         -THERMH  15O   2C   7     G     300.0    5000.0  1392.0      1
   2.73982015E1  3.16847889E-2 -1.06176563E-5  1.62683728E-9-9.35529364E-14    2
  -2.60235773E4  -1.11986756E2  7.94099226E-1    9.182399E-2 -6.10810295E-5    3
  2.02064161E-8 -2.6083944E-12  -1.66958137E4   3.14197812E1                   4
C7OOH3-2E         -THERMH  15O   2C   7     G     300.0    5000.0  1392.0      1
   2.73982015E1  3.16847889E-2 -1.06176563E-5  1.62683728E-9-9.35529364E-14    2
  -2.60235773E4  -1.11986756E2  7.94099226E-1    9.182399E-2 -6.10810295E-5    3
  2.02064161E-8 -2.6083944E-12  -1.66958137E4   3.14197812E1                   4
C7OOH3-2F         -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.70143457E1  3.30413025E-2 -1.12929819E-5  1.75227247E-9-1.01618423E-13    2
  -2.45101729E4  -1.10385096E2  7.34390024E-1  9.53756296E-2 -6.84934316E-5    3
   2.5936355E-8-4.06720275E-12  -1.54473483E4   3.04694396E1                   4
C7OOH4-2A         -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.70143457E1  3.30413025E-2 -1.12929819E-5  1.75227247E-9-1.01618423E-13    2
  -2.45101729E4  -1.10385096E2  7.34390024E-1  9.53756296E-2 -6.84934316E-5    3
   2.5936355E-8-4.06720275E-12  -1.54473483E4   3.04694396E1                   4
C7OOH4-2B         -THERMH  15O   2C   7     G     300.0    5000.0  1391.0      1
   2.55139782E1  3.42861514E-2 -1.17157117E-5  1.81754806E-9-1.05390042E-13    2
  -2.63185721E4  -1.00951564E2   3.99216241E0  7.81853853E-2 -4.37194957E-5    3
  1.14068421E-8-1.02090171E-12  -1.81612493E4   1.69704148E1                   4
C7OOH4-2C         -THERMH  15O   2C   7     G     300.0    5000.0  1392.0      1
   2.73982015E1  3.16847889E-2 -1.06176563E-5  1.62683728E-9-9.35529364E-14    2
  -2.60235773E4  -1.11986756E2  7.94099226E-1    9.182399E-2 -6.10810295E-5    3
  2.02064161E-8 -2.6083944E-12  -1.66958137E4   3.14197812E1                   4
C7OOH4-2E         -THERMH  15O   2C   7     G     300.0    5000.0  1392.0      1
   2.73982015E1  3.16847889E-2 -1.06176563E-5  1.62683728E-9-9.35529364E-14    2
  -2.60235773E4  -1.11986756E2  7.94099226E-1    9.182399E-2 -6.10810295E-5    3
  2.02064161E-8 -2.6083944E-12  -1.66958137E4   3.14197812E1                   4
C7OOH4-2F         -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.70143457E1  3.30413025E-2 -1.12929819E-5  1.75227247E-9-1.01618423E-13    2
  -2.45101729E4  -1.10385096E2  7.34390024E-1  9.53756296E-2 -6.84934316E-5    3
   2.5936355E-8-4.06720275E-12  -1.54473483E4   3.04694396E1                   4
C7OOH5-2A         -THERMH  15O   2C   7     G     300.0    5000.0  1397.0      1
   2.70143457E1  3.30413025E-2 -1.12929819E-5  1.75227247E-9-1.01618423E-13    2
  -2.45101729E4  -1.10385096E2  7.34390024E-1  9.53756296E-2 -6.84934316E-5    3
   2.5936355E-8-4.06720275E-12  -1.54473483E4   3.04694396E1                   4
C7OOH5-2B         -THERMH  15O   2C   7     G     300.0    5000.0  1391.0      1
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C7OOH2-OO3-2      -THERMH  15O   4C   7     G     300.0    5000.0  1397.0      1
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C7OOH2-OO4-2      -THERMH  15O   4C   7     G     300.0    5000.0  1397.0      1
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C7OOH2-OO5-2      -THERMH  15O   4C   7     G     300.0    5000.0  1397.0      1
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C7OOH2-OO6-2      -THERMH  15O   4C   7     G     300.0    5000.0  1394.0      1
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C7OOH3-OO1-2      -THERMH  15O   4C   7     G     300.0    5000.0  1392.0      1
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C7OOH3-OO4-2      -THERMH  15O   4C   7     G     300.0    5000.0  1395.0      1
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C7OOH3-OO5-2      -THERMH  15O   4C   7     G     300.0    5000.0  1395.0      1
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C7OOH3-OO6-2      -THERMH  15O   4C   7     G     300.0    5000.0  1392.0      1
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C7OOH4-OO2-2      -THERMH  15O   4C   7     G     300.0    5000.0  1397.0      1
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C7OOH4-OO3-2      -THERMH  15O   4C   7     G     300.0    5000.0  1395.0      1
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C7OOH4-OO5-2      -THERMH  15O   4C   7     G     300.0    5000.0  1395.0      1
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C7OOH4-OO6-2      -THERMH  15O   4C   7     G     300.0    5000.0  1392.0      1
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C7OOH5-OO2-2      -THERMH  15O   4C   7     G     300.0    5000.0  1397.0      1
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C7OOH5-OO3-2      -THERMH  15O   4C   7     G     300.0    5000.0  1395.0      1
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C7OOH5-OO4-2      -THERMH  15O   4C   7     G     300.0    5000.0  1395.0      1
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C7OOH5-OO6-2      -THERMH  15O   4C   7     G     300.0    5000.0  1392.0      1
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C7OOH6-OO2-2      -THERMH  15O   4C   7     G     300.0    5000.0  1394.0      1
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C7OOH6-OO3-2      -THERMH  15O   4C   7     G     300.0    5000.0  1392.0      1
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C7OOH6-OO4-2      -THERMH  15O   4C   7     G     300.0    5000.0  1392.0      1
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C7OOH6-OO5-2      -THERMH  15O   4C   7     G     300.0    5000.0  1392.0      1
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C7H14O1-1-2       -THERMH  14O   1C   7     G     300.0    5000.0  1395.0      1
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C7H14O1-2-2       -THERMH  14O   1C   7     G     300.0    5000.0  1395.0      1
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C7H14O1-3-2       -THERMH  14O   1C   7     G     300.0    5000.0  1398.0      1
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C7H14O1-4-2             H  14O   1C   7     G     300.0    5000.0  1399.0      1
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C7H14O1-5-2             H  14O   1C   7     G     300.0    5000.0  1395.0      1
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C7H14O2-3-2       -THERMH  14O   1C   7     G     300.0    5000.0  1397.0      1
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C7H14O2-4-2             H  14O   1C   7     G     300.0    5000.0  1397.0      1
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C7H14O2-5-2             H  14O   1C   7     G     300.0    5000.0  1399.0      1
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C7H14O2-6-2       -THERMH  14O   1C   7     G     300.0    5000.0  1393.0      1
   2.31777752E1  3.37391361E-2 -1.16291361E-5  1.81502625E-9-1.05699278E-13    2
  -4.88720793E4  -1.06651405E2  -7.76606727E0  1.06387471E-1  -7.7077458E-5    3
  2.87824681E-8 -4.3949584E-12  -3.81684464E4   5.93977162E1                   4
C7H14O3-4-2       -THERMH  14O   1C   7     G     300.0    5000.0  1398.0      1
   2.46385862E1  3.11917274E-2 -1.07404326E-5  1.67504806E-9-9.74909905E-14    2
  -3.66885224E4  -1.05560291E2   -5.1972038E0   1.0476156E-1 -8.13312952E-5    3
  3.29283154E-8-5.44959945E-12  -2.67083945E4   5.33120837E1                   4
C7H14O3-5-2             H  14O   1C   7     G     300.0    5000.0  1400.0      1
   2.34713693E1  3.23660281E-2 -1.10918414E-5   1.7242967E-9 -1.0013138E-13    2
  -3.72525953E4   -1.0049587E2  -6.10493104E0  1.04760134E-1 -7.97587974E-5    3
  3.16754166E-8-5.14335455E-12  -2.73249457E4   5.71516677E1                   4
C7H14O3-6-2             H  14O   1C   7     G     300.0    5000.0  1399.0      1
   2.22516428E1  3.38684622E-2 -1.16198528E-5    1.807771E-9-1.05035813E-13    2
  -4.50008206E4  -9.50085252E1  -7.30682579E0  1.03741665E-1 -7.49847998E-5    3
  2.80469815E-8   -4.28769E-12  -3.48379724E4      6.34118E1                   4
C7H14O4-5-2       -THERMH  14O   1C   7     G     300.0    5000.0  1398.0      1
   2.46385862E1  3.11917274E-2 -1.07404326E-5  1.67504806E-9-9.74909905E-14    2
  -3.66885224E4  -1.05560291E2   -5.1972038E0   1.0476156E-1 -8.13312952E-5    3
  3.29283154E-8-5.44959945E-12  -2.67083945E4   5.33120837E1                   4
C7H14O4-6-2             H  14O   1C   7     G     300.0    5000.0  1398.0      1
    2.2849525E1   3.2946845E-2 -1.13037909E-5  1.75858404E-9-1.02176384E-13    2
  -3.49053701E4  -9.68002177E1  -5.46768461E0  9.99275047E-2 -7.22247517E-5    3
  2.71263638E-8-4.17812547E-12  -2.51588786E4   5.49771896E1                   4
C7H14O5-6-2       -THERMH  14O   1C   7     G     300.0    5000.0  1396.0      1
   2.36654571E1  3.19808518E-2 -1.10033276E-5  1.71503079E-9-9.97737969E-14    2
  -3.41221277E4   -9.9659414E1  -4.24505897E0  9.93812367E-2 -7.43602414E-5    3
  2.92758167E-8-4.75757668E-12  -2.46085398E4   4.95243787E1                   4
C7KET1-1-2        -THERMH  14O   3C   7     G     300.0    5000.0  1395.0      1
   2.81394914E1  3.23274729E-2 -1.11018398E-5  1.72830185E-9-1.00464045E-13    2
  -5.73035197E4  -1.12983447E2   1.83416279E0  9.21938149E-2 -6.28182808E-5    3
  2.19488318E-8-3.12643852E-12  -4.80066737E4   2.88586795E1                   4
C7KET1-2-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
    2.9638636E1  3.10293135E-2 -1.06493763E-5   1.6572567E-9-9.63124786E-14    2
  -5.98518224E4  -1.23527796E2   1.19644362E0  9.90000531E-2 -7.30720162E-5    3
  2.78597968E-8-4.33072829E-12  -5.01583474E4   2.86292125E1                   4
C7KET1-3-2        -THERMH  14O   3C   7     G     300.0    5000.0  1397.0      1
   2.89414573E1  3.16733309E-2 -1.08830976E-5  1.69495118E-9-9.85566016E-14    2
  -5.93569566E4  -1.19026578E2  8.27085845E-1  9.74119846E-2 -6.95773123E-5    3
  2.55241256E-8-3.81159373E-12  -4.96266901E4   3.18967925E1                   4
C7KET1-4-2        -THERMH  14O   3C   7     G     300.0    5000.0  1397.0      1
   2.89414573E1  3.16733309E-2 -1.08830976E-5  1.69495118E-9-9.85566016E-14    2
  -5.93569566E4  -1.19026578E2  8.27085845E-1  9.74119846E-2 -6.95773123E-5    3
  2.55241256E-8-3.81159373E-12  -4.96266901E4   3.18967925E1                   4
C7KET1-5-2        -THERMH  14O   3C   7     G     300.0    5000.0  1397.0      1
   2.89414573E1  3.16733309E-2 -1.08830976E-5  1.69495118E-9-9.85566016E-14    2
  -5.93569566E4  -1.19026578E2  8.27085845E-1  9.74119846E-2 -6.95773123E-5    3
  2.55241256E-8-3.81159373E-12  -4.96266901E4   3.18967925E1                   4
C7KET3-1-2        -THERMH  14O   3C   7     G     300.0    5000.0  1392.0      1
   2.76640799E1  3.28514229E-2 -1.13080041E-5  1.76303817E-9-1.02587097E-13    2
  -6.10703132E4  -1.10724532E2   1.76928318E0  9.28184682E-2 -6.50864705E-5    3
  2.40946888E-8-3.72696721E-12  -5.19446581E4   2.86671624E1                   4
C7KET3-2-2        -THERMH  14O   3C   7     G     300.0    5000.0  1394.0      1
   2.79787115E1  3.22328367E-2 -1.10170559E-5  1.70955654E-9-9.91469652E-14    2
  -6.40451213E4  -1.15060562E2   2.24380212E0  9.43867951E-2    -6.97911E-5    3
  2.75802223E-8-4.54168326E-12  -5.52360307E4   2.25555881E1                   4
C7KET3-4-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
   2.92780018E1  3.14051183E-2 -1.07939728E-5   1.6813532E-9 -9.7776284E-14    2
  -6.23091628E4    -1.226696E2  -1.78383417E0  1.09583932E-1 -8.76076792E-5    3
  3.65257625E-8-6.20061995E-12  -5.20789503E4   4.21666527E1                   4
C7KET3-5-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
   2.92780018E1  3.14051183E-2 -1.07939728E-5   1.6813532E-9 -9.7776284E-14    2
  -6.23091628E4    -1.226696E2  -1.78383417E0  1.09583932E-1 -8.76076792E-5    3
  3.65257625E-8-6.20061995E-12  -5.20789503E4   4.21666527E1                   4
C7KET3-6-2        -THERMH  14O   3C   7     G     300.0    5000.0  1392.0      1
   2.76640799E1  3.28514229E-2 -1.13080041E-5  1.76303817E-9-1.02587097E-13    2
  -6.10703132E4  -1.10724532E2   1.76928318E0  9.28184682E-2 -6.50864705E-5    3
  2.40946888E-8-3.72696721E-12  -5.19446581E4   2.86671624E1                   4
C7KET4-1-2        -THERMH  14O   3C   7     G     300.0    5000.0  1392.0      1
   2.76640799E1  3.28514229E-2 -1.13080041E-5  1.76303817E-9-1.02587097E-13    2
  -6.10703132E4  -1.10724532E2   1.76928318E0  9.28184682E-2 -6.50864705E-5    3
  2.40946888E-8-3.72696721E-12  -5.19446581E4   2.86671624E1                   4
C7KET4-2-2        -THERMH  14O   3C   7     G     300.0    5000.0  1394.0      1
   2.79787115E1  3.22328367E-2 -1.10170559E-5  1.70955654E-9-9.91469652E-14    2
  -6.40451213E4  -1.15060562E2   2.24380212E0  9.43867951E-2    -6.97911E-5    3
  2.75802223E-8-4.54168326E-12  -5.52360307E4   2.25555881E1                   4
C7KET4-3-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
   2.92780018E1  3.14051183E-2 -1.07939728E-5   1.6813532E-9 -9.7776284E-14    2
  -6.23091628E4    -1.226696E2  -1.78383417E0  1.09583932E-1 -8.76076792E-5    3
  3.65257625E-8-6.20061995E-12  -5.20789503E4   4.21666527E1                   4
C7KET4-5-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
   2.92780018E1  3.14051183E-2 -1.07939728E-5   1.6813532E-9 -9.7776284E-14    2
  -6.23091628E4    -1.226696E2  -1.78383417E0  1.09583932E-1 -8.76076792E-5    3
  3.65257625E-8-6.20061995E-12  -5.20789503E4   4.21666527E1                   4
C7KET4-6-2        -THERMH  14O   3C   7     G     300.0    5000.0  1392.0      1
   2.76640799E1  3.28514229E-2 -1.13080041E-5  1.76303817E-9-1.02587097E-13    2
  -6.10703132E4  -1.10724532E2   1.76928318E0  9.28184682E-2 -6.50864705E-5    3
  2.40946888E-8-3.72696721E-12  -5.19446581E4   2.86671624E1                   4
C7KET5-1-2        -THERMH  14O   3C   7     G     300.0    5000.0  1392.0      1
   2.76640799E1  3.28514229E-2 -1.13080041E-5  1.76303817E-9-1.02587097E-13    2
  -6.10703132E4  -1.10724532E2   1.76928318E0  9.28184682E-2 -6.50864705E-5    3
  2.40946888E-8-3.72696721E-12  -5.19446581E4   2.86671624E1                   4
C7KET5-2-2        -THERMH  14O   3C   7     G     300.0    5000.0  1394.0      1
   2.79787115E1  3.22328367E-2 -1.10170559E-5  1.70955654E-9-9.91469652E-14    2
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  2.75802223E-8-4.54168326E-12  -5.52360307E4   2.25555881E1                   4
C7KET5-3-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
   2.92780018E1  3.14051183E-2 -1.07939728E-5   1.6813532E-9 -9.7776284E-14    2
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  3.65257625E-8-6.20061995E-12  -5.20789503E4   4.21666527E1                   4
C7KET5-4-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
   2.92780018E1  3.14051183E-2 -1.07939728E-5   1.6813532E-9 -9.7776284E-14    2
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C7KET5-6-2        -THERMH  14O   3C   7     G     300.0    5000.0  1392.0      1
   2.76640799E1  3.28514229E-2 -1.13080041E-5  1.76303817E-9-1.02587097E-13    2
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  2.40946888E-8-3.72696721E-12  -5.19446581E4   2.86671624E1                   4
C7KET6-2-2        -THERMH  14O   3C   7     G     300.0    5000.0  1398.0      1
    2.9638636E1  3.10293135E-2 -1.06493763E-5   1.6572567E-9-9.63124786E-14    2
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  2.78597968E-8-4.33072829E-12  -5.01583474E4   2.86292125E1                   4
C7KET6-3-2        -THERMH  14O   3C   7     G     300.0    5000.0  1397.0      1
   2.89414573E1  3.16733309E-2 -1.08830976E-5  1.69495118E-9-9.85566016E-14    2
  -5.93569566E4  -1.19026578E2  8.27085845E-1  9.74119846E-2 -6.95773123E-5    3
  2.55241256E-8-3.81159373E-12  -4.96266901E4   3.18967925E1                   4
C7KET6-4-2        -THERMH  14O   3C   7     G     300.0    5000.0  1397.0      1
   2.89414573E1  3.16733309E-2 -1.08830976E-5  1.69495118E-9-9.85566016E-14    2
  -5.93569566E4  -1.19026578E2  8.27085845E-1  9.74119846E-2 -6.95773123E-5    3
  2.55241256E-8-3.81159373E-12  -4.96266901E4   3.18967925E1                   4
C7KET6-5-2        -THERMH  14O   3C   7     G     300.0    5000.0  1397.0      1
   2.89414573E1  3.16733309E-2 -1.08830976E-5  1.69495118E-9-9.85566016E-14    2
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  2.55241256E-8-3.81159373E-12  -4.96266901E4   3.18967925E1                   4
C8H18-2           -THERMH  18C   8          G     300.0    5000.0  1391.0      1
   2.54269577E1  3.94527058E-2 -1.34985843E-5  2.09602707E-9-1.21616165E-13    2
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C8H17-2A          -THERMH  17C   8          G     300.0    5000.0  1391.0      1
   2.49974297E1  3.73191668E-2 -1.27733827E-5  1.98393041E-9-1.15133126E-13    2
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  2.02012575E-8-2.75366147E-12  -4.97609297E3   3.85529982E1                   4
C8H17-2B          -THERMH  17C   8          G     300.0    5000.0  1384.0      1
   2.34434957E1  3.86553277E-2 -1.32374263E-5  2.05665175E-9-1.19377834E-13    2
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  5.43914384E-9  3.3253756E-13  -7.69720195E3   2.47838273E1                   4
C8H17-2C          -THERMH  17C   8          G     300.0    5000.0  1387.0      1
   2.47400345E1  3.71272981E-2 -1.26233254E-5  1.95231249E-9-1.12977248E-13    2
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    1.454522E-8-1.42647735E-12  -6.26937956E3   3.81898762E1                   4
C8H17-2D          -THERMH  17C   8          G     300.0    5000.0  1387.0      1
   2.47400345E1  3.71272981E-2 -1.26233254E-5  1.95231249E-9-1.12977248E-13    2
  -1.58269896E4   -1.0191693E2 -9.21568071E-1  9.06331389E-2 -5.28001411E-5    3
    1.454522E-8-1.42647735E-12  -6.26937956E3   3.81898762E1                   4
C8H17-2E          -THERMH  17C   8          G     300.0    5000.0  1387.0      1
   2.47400345E1  3.71272981E-2 -1.26233254E-5  1.95231249E-9-1.12977248E-13    2
  -1.58269896E4   -1.0191693E2 -9.21568071E-1  9.06331389E-2 -5.28001411E-5    3
    1.454522E-8-1.42647735E-12  -6.26937956E3   3.81898762E1                   4
C8H17-2F          -THERMH  17C   8          G     300.0    5000.0  1387.0      1
   2.47400345E1  3.71272981E-2 -1.26233254E-5  1.95231249E-9-1.12977248E-13    2
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    1.454522E-8-1.42647735E-12  -6.26937956E3   3.81898762E1                   4
C8H17-2G          -THERMH  17C   8          G     300.0    5000.0  1391.0      1
   2.49974297E1  3.73191668E-2 -1.27733827E-5  1.98393041E-9-1.15133126E-13    2
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  2.02012575E-8-2.75366147E-12  -4.97609297E3   3.85529982E1                   4
C8H16-1-2         -THERMH  16C   8          G     300.0    5000.0  1391.0      1
    2.4294239E1  3.55409247E-2 -1.21060032E-5  1.87427516E-9-1.08530718E-13    2
  -2.41421368E4  -1.01024824E2  -1.08321803E0  9.24399869E-2  -6.0617994E-5    3
  2.06787399E-8-2.91728752E-12  -1.50410212E4   3.61960465E1                   4
C8H16-2-2         -THERMH  16C   8          G     300.0    5000.0  1390.0      1
   2.38193041E1  3.59772998E-2 -1.22634136E-5  1.89952994E-9-1.10027885E-13    2
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  1.79652327E-8-2.35791972E-12  -1.65489479E4   3.40131577E1                   4
C8H16-3-2         -THERMH  16C   8          G     300.0    5000.0  1394.0      1
   2.38767788E1  3.61765064E-2 -1.23847165E-5  1.92376372E-9-1.11647873E-13    2
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  2.41823763E-8-3.64732395E-12  -1.53024373E4   4.47425556E1                   4
C8H16-4-2         -THERMH  16C   8          G     300.0    5000.0  1392.0      1
   2.39175593E1  3.61853901E-2 -1.23978686E-5  1.92690358E-9-1.11875817E-13    2
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  2.36327956E-8 -3.5317287E-12  -1.54359038E4   4.44185307E1                   4
C8H16-5-2         -THERMH  16C   8          G     300.0    5000.0  1391.0      1
   2.38013945E1  3.61907786E-2 -1.23796975E-5  1.92202845E-9-1.11510927E-13    2
  -2.49569821E4  -9.94195299E1  -1.84180635E0  9.30484963E-2 -6.02063894E-5    3
  2.01810906E-8-2.79595615E-12   -1.5680035E4   3.94922145E1                   4
C8H16-6-2         -THERMH  16C   8          G     300.0    5000.0  1393.0      1
   2.42774208E1  3.57623689E-2 -1.22267721E-5  1.89763691E-9-1.10070078E-13    2
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  2.31537549E-8-3.40888793E-12  -1.41589879E4   4.20613726E1                   4
C8H15-1-2         -THERMH  15C   8          G     300.0    5000.0  1390.0      1
   2.31626925E1  3.42351265E-2 -1.17154296E-5  1.81936024E-9-1.05572316E-13    2
   4.20928979E3  -9.37615805E1 -5.15086144E-2  8.45065869E-2 -5.26121583E-5    3
   1.6754516E-8-2.18342666E-12   1.27413717E4   3.24410348E1                   4
C8H17O-1-2        -THERMH  17O   1C   8     G     300.0    5000.0  1390.0      1
   2.74811848E1   3.7574402E-2 -1.29161783E-5  2.01202962E-9-1.17007752E-13    2
  -3.20795559E4  -1.15742919E2  -1.32517927E0  1.02067227E-1  -6.7836287E-5    3
  2.32912073E-8 -3.2982828E-12  -2.17345686E4   4.00606608E1                   4
C8H17O-2-2        -THERMH  17O   1C   8     G     300.0    5000.0  1391.0      1
   2.81549772E1  3.70804138E-2 -1.27622778E-5  1.98966012E-9 -1.1577009E-13    2
  -3.56420078E4  -1.20909218E2  -1.40755987E0  1.05669541E-1 -7.43774728E-5    3
  2.76076622E-8-4.27631781E-12  -2.52426405E4   3.81705249E1                   4
C8H17O-3-2        -THERMH  17O   1C   8     G     300.0    5000.0  1392.0      1
   2.81162098E1  3.72856173E-2 -1.28708561E-5  2.01051889E-9 -1.1714205E-13    2
  -3.45081038E4  -1.20396348E2  -2.16653642E0  1.07739651E-1 -7.64424806E-5    3
  2.85978776E-8-4.46409575E-12  -2.38690364E4   4.24995699E1                   4
C8H17O-4-2        -THERMH  17O   1C   8     G     300.0    5000.0  1392.0      1
   2.81162098E1  3.72856173E-2 -1.28708561E-5  2.01051889E-9 -1.1714205E-13    2
  -3.45081038E4  -1.20396348E2  -2.16653642E0  1.07739651E-1 -7.64424806E-5    3
  2.85978776E-8-4.46409575E-12  -2.38690364E4   4.24995699E1                   4
C8H17O-5-2        -THERMH  17O   1C   8     G     300.0    5000.0  1392.0      1
   2.81162098E1  3.72856173E-2 -1.28708561E-5  2.01051889E-9 -1.1714205E-13    2
  -3.45081038E4  -1.20396348E2  -2.16653642E0  1.07739651E-1 -7.64424806E-5    3
  2.85978776E-8-4.46409575E-12  -2.38690364E4   4.24995699E1                   4
C8H17O-6-2        -THERMH  17O   1C   8     G     300.0    5000.0  1392.0      1
   2.81162098E1  3.72856173E-2 -1.28708561E-5  2.01051889E-9 -1.1714205E-13    2
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  2.85978776E-8-4.46409575E-12  -2.38690364E4   4.24995699E1                   4
C8H17O-7-2        -THERMH  17O   1C   8     G     300.0    5000.0  1390.0      1
   2.74811848E1   3.7574402E-2 -1.29161783E-5  2.01202962E-9-1.17007752E-13    2
  -3.20795559E4  -1.15742919E2  -1.32517927E0  1.02067227E-1  -6.7836287E-5    3
  2.32912073E-8 -3.2982828E-12  -2.17345686E4   4.00606608E1                   4
C8H17OO-1-2       -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
   2.77778951E1  3.99241307E-2 -1.36408139E-5  2.11588844E-9-1.22671153E-13    2
   -3.3954575E4  -1.13454201E2   1.64074043E0  9.79256722E-2 -6.28260379E-5    3
  2.12257411E-8-3.01027631E-12  -2.44630191E4   2.81827816E1                   4
C8H17OO-2-2       -THERMH  17O   2C   8     G     300.0    5000.0  1397.0      1
    2.8130127E1  3.93749993E-2 -1.33950026E-5  2.07155935E-9-1.19846111E-13    2
  -3.68642854E4  -1.17203783E2    1.2159298E0  1.03386799E-1 -7.30610812E-5    3
   2.8027274E-8-4.53884102E-12  -2.75159803E4   2.71282018E1                   4
C8H17OO-3-2       -THERMH  17O   2C   8     G     300.0    5000.0  1396.0      1
   2.81437693E1  3.94922195E-2  -1.3464964E-5  2.08563734E-9  -1.207962E-13    2
  -3.57536446E4  -1.16793878E2  7.74173226E-1  1.03013442E-1   -7.064783E-5    3
  2.59395414E-8-4.00792517E-12  -2.61118455E4   3.05020337E1                   4
C8H17OO-4-2       -THERMH  17O   2C   8     G     300.0    5000.0  1396.0      1
   2.81437693E1  3.94922195E-2  -1.3464964E-5  2.08563734E-9  -1.207962E-13    2
  -3.57536446E4  -1.16793878E2  7.74173226E-1  1.03013442E-1   -7.064783E-5    3
  2.59395414E-8-4.00792517E-12  -2.61118455E4   3.05020337E1                   4
C8H17OO-5-2       -THERMH  17O   2C   8     G     300.0    5000.0  1396.0      1
   2.81437693E1  3.94922195E-2  -1.3464964E-5  2.08563734E-9  -1.207962E-13    2
  -3.57536446E4  -1.16793878E2  7.74173226E-1  1.03013442E-1   -7.064783E-5    3
  2.59395414E-8-4.00792517E-12  -2.61118455E4   3.05020337E1                   4
C8H17OO-6-2       -THERMH  17O   2C   8     G     300.0    5000.0  1396.0      1
   2.81437693E1  3.94922195E-2  -1.3464964E-5  2.08563734E-9  -1.207962E-13    2
  -3.57536446E4  -1.16793878E2  7.74173226E-1  1.03013442E-1   -7.064783E-5    3
  2.59395414E-8-4.00792517E-12  -2.61118455E4   3.05020337E1                   4
C8H17OO-7-2       -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
   2.77778951E1  3.99241307E-2 -1.36408139E-5  2.11588844E-9-1.22671153E-13    2
   -3.3954575E4  -1.13454201E2   1.64074043E0  9.79256722E-2 -6.28260379E-5    3
  2.12257411E-8-3.01027631E-12  -2.44630191E4   2.81827816E1                   4
C8H17OOH-1-2      -THERMH  18O   2C   8     G     300.0    5000.0  1395.0      1
   3.02489127E1  4.00693846E-2 -1.37200018E-5  2.13146968E-9-1.23714783E-13    2
  -5.18682354E4   -1.2779118E2  7.11821787E-1  1.06643595E-1  -7.0826703E-5    3
  2.44028418E-8-3.46743533E-12  -4.13181842E4   3.17833369E1                   4
C8H17OOH-2-2      -THERMH  18O   2C   8     G     300.0    5000.0  1398.0      1
   3.05940575E1   3.9542457E-2 -1.34853953E-5  2.08925601E-9-1.21027653E-13    2
   -5.4780559E4   -1.3151268E2  2.66620584E-1  1.12175962E-1  -8.1170218E-5    3
  3.12859498E-8-5.01761837E-12   -4.4367425E4   3.08278376E1                   4
C8H17OOH-3-2      -THERMH  18O   2C   8     G     300.0    5000.0  1397.0      1
   3.06089627E1  3.96563076E-2 -1.35537021E-5  2.10302571E-9-1.21957807E-13    2
  -5.36698317E4  -1.31108461E2 -1.67697539E-1  1.11772142E-1 -7.87121948E-5    3
  2.91694352E-8-4.48007777E-12  -4.29644958E4   3.41666217E1                   4
C8H17OOH-4-2      -THERMH  18O   2C   8     G     300.0    5000.0  1397.0      1
   3.06089627E1  3.96563076E-2 -1.35537021E-5  2.10302571E-9-1.21957807E-13    2
  -5.36698317E4  -1.31108461E2 -1.67697539E-1  1.11772142E-1 -7.87121948E-5    3
  2.91694352E-8-4.48007777E-12  -4.29644958E4   3.41666217E1                   4
C8H17OOH-5-2      -THERMH  18O   2C   8     G     300.0    5000.0  1397.0      1
   3.06089627E1  3.96563076E-2 -1.35537021E-5  2.10302571E-9-1.21957807E-13    2
  -5.36698317E4  -1.31108461E2 -1.67697539E-1  1.11772142E-1 -7.87121948E-5    3
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C8H17OOH-6-2      -THERMH  18O   2C   8     G     300.0    5000.0  1397.0      1
   3.06089627E1  3.96563076E-2 -1.35537021E-5  2.10302571E-9-1.21957807E-13    2
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  2.91694352E-8-4.48007777E-12  -4.29644958E4   3.41666217E1                   4
C8H17OOH-7-2      -THERMH  18O   2C   8     G     300.0    5000.0  1395.0      1
   3.02489127E1  4.00693846E-2 -1.37200018E-5  2.13146968E-9-1.23714783E-13    2
  -5.18682354E4   -1.2779118E2  7.11821787E-1  1.06643595E-1  -7.0826703E-5    3
  2.44028418E-8-3.46743533E-12  -4.13181842E4   3.17833369E1                   4
C8OOH1-2A         -THERMH  17O   2C   8     G     300.0    5000.0  1394.0      1
   2.98185844E1  3.79499329E-2 -1.30026852E-5  2.02092356E-9-1.17335111E-13    2
  -2.68033456E4  -1.22629771E2   1.45964655E0  1.02144914E-1 -6.84208783E-5    3
  2.38206974E-8-3.42529432E-12  -1.67010286E4   3.04831313E1                   4
C8OOH1-2B         -THERMH  17O   2C   8     G     300.0    5000.0  1387.0      1
   2.87427655E1  3.89397726E-2 -1.33617948E-5  2.07888286E-9-1.20789004E-13    2
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  8.38160995E-9-1.18922786E-13  -1.93942554E4   1.75700222E1                   4
C8OOH1-2C         -THERMH  17O   2C   8     G     300.0    5000.0  1389.0      1
   3.01308976E1  3.67042984E-2 -1.23737653E-5  1.90336395E-9-1.09747263E-13    2
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  1.84778706E-8-2.05553623E-12  -1.79367223E4   3.18214159E1                   4
C8OOH1-2D         -THERMH  17O   2C   8     G     300.0    5000.0  1389.0      1
   3.01308976E1  3.67042984E-2 -1.23737653E-5  1.90336395E-9-1.09747263E-13    2
  -2.82873714E4  -1.23829555E2   1.43569539E0  9.89672652E-2 -6.15941087E-5    3
  1.84778706E-8-2.05553623E-12  -1.79367223E4   3.18214159E1                   4
C8OOH1-2E         -THERMH  17O   2C   8     G     300.0    5000.0  1389.0      1
   3.01308976E1  3.67042984E-2 -1.23737653E-5  1.90336395E-9-1.09747263E-13    2
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  1.84778706E-8-2.05553623E-12  -1.79367223E4   3.18214159E1                   4
C8OOH2-2A         -THERMH  17O   2C   8     G     300.0    5000.0  1398.0      1
   3.01771066E1   3.7395665E-2 -1.27551707E-5  1.97633752E-9-1.14495523E-13    2
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  3.07219068E-8-4.97550006E-12   -1.9750844E4   2.95323315E1                   4
C8OOH2-2C         -THERMH  17O   2C   8     G     300.0    5000.0  1395.0      1
   3.04537199E1  3.62185849E-2 -1.21579687E-5  1.86453892E-9-1.07274952E-13    2
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  2.53084219E-8-3.59940038E-12  -2.09919868E4   3.07005611E1                   4
C8OOH2-2D         -THERMH  17O   2C   8     G     300.0    5000.0  1395.0      1
   3.04537199E1  3.62185849E-2 -1.21579687E-5  1.86453892E-9-1.07274952E-13    2
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  2.53084219E-8-3.59940038E-12  -2.09919868E4   3.07005611E1                   4
C8OOH2-2E         -THERMH  17O   2C   8     G     300.0    5000.0  1395.0      1
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  2.53084219E-8-3.59940038E-12  -2.09919868E4   3.07005611E1                   4
C8OOH2-2F         -THERMH  17O   2C   8     G     300.0    5000.0  1395.0      1
   3.04537199E1  3.62185849E-2 -1.21579687E-5  1.86453892E-9-1.07274952E-13    2
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  2.53084219E-8-3.59940038E-12  -2.09919868E4   3.07005611E1                   4
C8OOH3-2A         -THERMH  17O   2C   8     G     300.0    5000.0  1397.0      1
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C8OOH3-2B         -THERMH  17O   2C   8     G     300.0    5000.0  1391.0      1
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C8OOH3-2D         -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
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C8OOH3-2E         -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
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C8OOH3-2F         -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
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C8OOH3-2G         -THERMH  17O   2C   8     G     300.0    5000.0  1397.0      1
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C8OOH4-2A         -THERMH  17O   2C   8     G     300.0    5000.0  1397.0      1
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C8OOH4-2B         -THERMH  17O   2C   8     G     300.0    5000.0  1391.0      1
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C8OOH4-2C         -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
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C8OOH4-2E         -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
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C8OOH4-2F         -THERMH  17O   2C   8     G     300.0    5000.0  1393.0      1
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C8OOH4-2G         -THERMH  17O   2C   8     G     300.0    5000.0  1397.0      1
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  2.85916974E-8-4.43909006E-12  -1.83476464E4   3.28617445E1                   4
C8OOH5-2A         -THERMH  17O   2C   8     G     300.0    5000.0  1397.0      1
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C8OOH5-2B         -THERMH  17O   2C   8     G     300.0    5000.0  1391.0      1
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C8OOH2-OO4-2      -THERMH  17O   4C   8     G     300.0    5000.0  1396.0      1
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C8OOH2-OO5-2      -THERMH  17O   4C   8     G     300.0    5000.0  1396.0      1
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C8OOH3-OO4-2      -THERMH  17O   4C   8     G     300.0    5000.0  1395.0      1
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  2.66313045E-8 -3.6772012E-12  -3.94004755E4   2.62460606E1                   4
C8OOH6-OO5-2      -THERMH  17O   4C   8     G     300.0    5000.0  1395.0      1
   3.56056731E1  3.79810236E-2 -1.30784023E-5  2.03984477E-9-1.18734767E-13    2
  -5.11173889E4  -1.52819039E2   2.40154731E0   1.1326359E-1 -7.73619531E-5    3
  2.66313045E-8 -3.6772012E-12  -3.94004755E4   2.62460606E1                   4
C8OOH6-OO7-2      -THERMH  17O   4C   8     G     300.0    5000.0  1392.0      1
   3.52023828E1  3.84060724E-2 -1.32433622E-5  2.06751036E-9-1.20423398E-13    2
  -4.92942322E4  -1.49242163E2   3.20696057E0  1.08398085E-1    -6.99087E-5    3
  2.21424199E-8-2.72571148E-12  -3.77404616E4   2.42234554E1                   4
C8OOH7-OO3-2      -THERMH  17O   4C   8     G     300.0    5000.0  1392.0      1
   3.52023828E1  3.84060724E-2 -1.32433622E-5  2.06751036E-9-1.20423398E-13    2
  -4.92942322E4  -1.49242163E2   3.20696057E0  1.08398085E-1    -6.99087E-5    3
  2.21424199E-8-2.72571148E-12  -3.77404616E4   2.42234554E1                   4
C8OOH7-OO4-2      -THERMH  17O   4C   8     G     300.0    5000.0  1392.0      1
   3.52023828E1  3.84060724E-2 -1.32433622E-5  2.06751036E-9-1.20423398E-13    2
  -4.92942322E4  -1.49242163E2   3.20696057E0  1.08398085E-1    -6.99087E-5    3
  2.21424199E-8-2.72571148E-12  -3.77404616E4   2.42234554E1                   4
C8OOH7-OO5-2      -THERMH  17O   4C   8     G     300.0    5000.0  1392.0      1
   3.52023828E1  3.84060724E-2 -1.32433622E-5  2.06751036E-9-1.20423398E-13    2
  -4.92942322E4  -1.49242163E2   3.20696057E0  1.08398085E-1    -6.99087E-5    3
  2.21424199E-8-2.72571148E-12  -3.77404616E4   2.42234554E1                   4
C8OOH7-OO6-2      -THERMH  17O   4C   8     G     300.0    5000.0  1392.0      1
   3.52023828E1  3.84060724E-2 -1.32433622E-5  2.06751036E-9-1.20423398E-13    2
  -4.92942322E4  -1.49242163E2   3.20696057E0  1.08398085E-1    -6.99087E-5    3
  2.21424199E-8-2.72571148E-12  -3.77404616E4   2.42234554E1                   4
C8H16O1-1-2       -THERMH  16O   1C   8     G     300.0    5000.0  1395.0      1
   2.56118327E1  3.76233253E-2 -1.28765778E-5  2.00013283E-9-1.16089001E-13    2
  -3.67189319E4  -1.09860085E2  -5.40482169E0  1.08749262E-1 -7.48467625E-5    3
  2.64504076E-8-3.80853915E-12  -2.58272257E4   5.71684727E1                   4
C8H16O1-2-2       -THERMH  16O   1C   8     G     300.0    5000.0  1395.0      1
   2.69350619E1  3.62269057E-2 -1.24260983E-5  1.93287404E-9-1.12290408E-13    2
  -3.93911683E4  -1.16145863E2  -3.60205585E0  1.08934139E-1 -7.95107222E-5    3
  3.04988477E-8-4.83611359E-12  -2.88857998E4   4.74331957E1                   4
C8H16O1-3-2       -THERMH  16O   1C   8     G     300.0    5000.0  1397.0      1
   2.60151372E1  3.74487135E-2 -1.28509995E-5  1.99955302E-9-1.16187204E-13    2
  -3.90029246E4  -1.11685802E2  -5.63382516E0  1.11874905E-1 -8.01070539E-5    3
  2.98231614E-8-4.55998166E-12   -2.8057005E4   5.81192431E1                   4
C8H16O1-4-2             H  16O   1C   8     G     300.0    5000.0  1398.0      1
   2.54163303E1  3.83718019E-2 -1.31677133E-5  2.04885623E-9 -1.1905397E-13    2
  -4.90984507E4  -1.09889889E2  -7.47935138E0  1.15710852E-1 -8.28958633E-5    3
  3.07606645E-8-4.67317263E-12   -3.7734941E4   6.65848734E1                   4
C8H16O1-5-2             H  16O   1C   8     G     300.0    5000.0  1395.0      1
   2.61275633E1  3.85346767E-2 -1.33009532E-5  2.07778557E-9-1.21070821E-13    2
  -5.17314278E4   -1.1923552E2  -8.07012812E0  1.17636558E-1 -8.31088723E-5    3
  3.00991594E-8 -4.4440414E-12  -3.97852471E4   6.46910371E1                   4
C8H16O2-3-2       -THERMH  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.75398866E1  3.58905331E-2 -1.23480065E-5  1.92453349E-9-1.11957295E-13    2
  -4.17812642E4  -1.20567305E2  -4.70421124E0  1.15885624E-1 -9.01941669E-5    3
   3.7110624E-8-6.28561974E-12  -3.09834538E4   5.10580331E1                   4
C8H16O2-4-2             H  16O   1C   8     G     300.0    5000.0  1397.0      1
    2.6741085E1  3.69665215E-2 -1.27136485E-5  1.98107195E-9-1.15228929E-13    2
  -4.26147924E4  -1.17914935E2  -6.49812756E0  1.18835287E-1 -9.15381092E-5    3
  3.71546118E-8-6.20476358E-12  -3.14436443E4    5.9185512E1                   4
C8H16O2-5-2             H  16O   1C   8     G     300.0    5000.0  1398.0      1
   2.61186562E1  3.78120585E-2  -1.2982292E-5  2.02067355E-9-1.17442557E-13    2
  -5.26672221E4  -1.15895531E2  -7.62783622E0  1.19565939E-1 -8.97587613E-5    3
  3.52306529E-8-5.67588923E-12  -4.12319883E4   6.43195183E1                   4
C8H16O2-6-2             H  16O   1C   8     G     300.0    5000.0  1395.0      1
   2.68371811E1  3.79614615E-2 -1.31093898E-5  2.04849744E-9-1.19389383E-13    2
  -5.53021053E4  -1.25280066E2  -8.21618329E0  1.21481256E-1 -8.99496124E-5    3
  3.45487099E-8 -5.4409085E-12  -4.32827153E4   6.24141201E1                   4
C8H16O3-4-2       -THERMH  16O   1C   8     G     300.0    5000.0  1397.0      1
   2.78393315E1  3.56650608E-2 -1.22781984E-5  1.91459366E-9-1.11421258E-13    2
  -4.08011101E4   -1.2133907E2  -5.26842413E0  1.16291693E-1 -8.85194547E-5    3
  3.51609027E-8-5.72406157E-12  -2.96215411E4   5.53212833E1                   4
C8H16O3-5-2             H  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.69513102E1  3.69638661E-2 -1.27520898E-5  1.99120631E-9-1.15987389E-13    2
  -4.15778076E4  -1.18142927E2  -7.70075528E0  1.23350248E-1 -9.72719471E-5    3
  4.03972394E-8-6.88677171E-12  -3.00182356E4   6.61469966E1                   4
C8H16O3-6-2             H  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.63344777E1  3.79036786E-2 -1.30748454E-5  2.04147799E-9-1.18911483E-13    2
   -5.1672547E4  -1.16257789E2  -9.60383939E0  1.27303831E-1 -1.00158943E-4    3
  4.13707441E-8-7.00453646E-12  -3.96834408E4   7.49095505E1                   4
C8H16O3-7-2             H  16O   1C   8     G     300.0    5000.0  1395.0      1
   2.61275633E1  3.85346767E-2 -1.33009532E-5  2.07778557E-9-1.21070821E-13    2
  -5.17314278E4  -1.19925002E2  -8.07012812E0  1.17636558E-1 -8.31088723E-5    3
  3.00991594E-8 -4.4440414E-12  -3.97852471E4   6.40015554E1                   4
C8H16O4-5-2       -THERMH  16O   1C   8     G     300.0    5000.0  1397.0      1
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  -4.08011101E4   -1.2133907E2  -5.26842413E0  1.16291693E-1 -8.85194547E-5    3
  3.51609027E-8-5.72406157E-12  -2.96215411E4   5.53212833E1                   4
C8H16O4-6-2             H  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.69513102E1  3.69638661E-2 -1.27520898E-5  1.99120631E-9-1.15987389E-13    2
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  4.03972394E-8-6.88677171E-12  -3.00182356E4   6.61469966E1                   4
C8H16O4-7-2             H  16O   1C   8     G     300.0    5000.0  1398.0      1
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  -4.90984507E4  -1.10579371E2  -7.47935138E0  1.15710852E-1 -8.28958633E-5    3
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C8H16O5-6-2       -THERMH  16O   1C   8     G     300.0    5000.0  1397.0      1
   2.78393315E1  3.56650608E-2 -1.22781984E-5  1.91459366E-9-1.11421258E-13    2
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C8H16O5-7-2             H  16O   1C   8     G     300.0    5000.0  1397.0      1
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  2.98231614E-8-4.55998166E-12   -2.8057005E4   5.74297614E1                   4
C8H16O6-7-2       -THERMH  16O   1C   8     G     300.0    5000.0  1396.0      1
   2.67852989E1  3.64563118E-2 -1.25270973E-5  1.95085791E-9-1.13425497E-13    2
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C8KET1-1-2        -THERMH  16O   3C   8     G     300.0    5000.0  1394.0      1
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  -6.16674592E4  -1.31480851E2    1.5012903E0   1.0440541E-1 -6.97688631E-5    3
  2.35398748E-8-3.19392261E-12  -5.08730265E4   3.21501887E1                   4
C8KET1-2-2        -THERMH  16O   3C   8     G     300.0    5000.0  1398.0      1
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  3.07008934E-8-4.74199493E-12  -5.30506735E4   3.12610662E1                   4
C8KET1-3-2        -THERMH  16O   3C   8     G     300.0    5000.0  1396.0      1
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C8KET1-4-2        -THERMH  16O   3C   8     G     300.0    5000.0  1396.0      1
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C8KET1-5-2        -THERMH  16O   3C   8     G     300.0    5000.0  1396.0      1
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C8KET3-1-2        -THERMH  16O   3C   8     G     300.0    5000.0  1392.0      1
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C8KET3-2-2        -THERMH  16O   3C   8     G     300.0    5000.0  1393.0      1
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C8KET3-4-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
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C8KET3-5-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
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C8KET3-6-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
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C8KET3-7-2        -THERMH  16O   3C   8     G     300.0    5000.0  1392.0      1
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  2.68394176E-8-4.11817398E-12  -5.48394718E4   3.12101011E1                   4
C8KET4-1-2        -THERMH  16O   3C   8     G     300.0    5000.0  1392.0      1
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  -6.51689673E4    -1.263148E2   1.58441419E0  1.04832457E-1 -7.30569262E-5    3
  2.68394176E-8-4.11817398E-12  -5.48394718E4   3.12101011E1                   4
C8KET4-2-2        -THERMH  16O   3C   8     G     300.0    5000.0  1393.0      1
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  3.03485035E-8-4.93796252E-12  -5.81303001E4   2.51190692E1                   4
C8KET4-3-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
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   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET4-5-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
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C8KET4-6-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
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   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET4-7-2        -THERMH  16O   3C   8     G     300.0    5000.0  1392.0      1
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  -6.51689673E4    -1.263148E2   1.58441419E0  1.04832457E-1 -7.30569262E-5    3
  2.68394176E-8-4.11817398E-12  -5.48394718E4   3.12101011E1                   4
C8KET5-1-2        -THERMH  16O   3C   8     G     300.0    5000.0  1392.0      1
   3.08324256E1   3.7345013E-2    -1.28511E-5  2.00323907E-9-1.16548241E-13    2
  -6.51689673E4    -1.263148E2   1.58441419E0  1.04832457E-1 -7.30569262E-5    3
  2.68394176E-8-4.11817398E-12  -5.48394718E4   3.12101011E1                   4
C8KET5-2-2        -THERMH  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.11476352E1  3.67271931E-2 -1.25606556E-5  1.94985804E-9-1.13114764E-13    2
  -6.81438066E4  -1.30654092E2   2.05423615E0  1.06426752E-1 -7.78002838E-5    3
  3.03485035E-8-4.93796252E-12  -5.81303001E4   2.51190692E1                   4
C8KET5-3-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.24431849E1  3.59019434E-2 -1.23383027E-5  1.92175875E-9-1.11749823E-13    2
   -6.6407029E4  -1.38242592E2   -1.9597566E0  1.21547973E-1 -9.55006683E-5    3
   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET5-4-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.24431849E1  3.59019434E-2 -1.23383027E-5  1.92175875E-9-1.11749823E-13    2
   -6.6407029E4  -1.38242592E2   -1.9597566E0  1.21547973E-1 -9.55006683E-5    3
   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET5-6-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.24431849E1  3.59019434E-2 -1.23383027E-5  1.92175875E-9-1.11749823E-13    2
   -6.6407029E4  -1.38242592E2   -1.9597566E0  1.21547973E-1 -9.55006683E-5    3
   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET5-7-2        -THERMH  16O   3C   8     G     300.0    5000.0  1392.0      1
   3.08324256E1   3.7345013E-2    -1.28511E-5  2.00323907E-9-1.16548241E-13    2
  -6.51689673E4    -1.263148E2   1.58441419E0  1.04832457E-1 -7.30569262E-5    3
  2.68394176E-8-4.11817398E-12  -5.48394718E4   3.12101011E1                   4
C8KET6-2-2        -THERMH  16O   3C   8     G     300.0    5000.0  1393.0      1
   3.11476352E1  3.67271931E-2 -1.25606556E-5  1.94985804E-9-1.13114764E-13    2
  -6.81438066E4  -1.30654092E2   2.05423615E0  1.06426752E-1 -7.78002838E-5    3
  3.03485035E-8-4.93796252E-12  -5.81303001E4   2.51190692E1                   4
C8KET6-3-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.24431849E1  3.59019434E-2 -1.23383027E-5  1.92175875E-9-1.11749823E-13    2
   -6.6407029E4  -1.38242592E2   -1.9597566E0  1.21547973E-1 -9.55006683E-5    3
   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET6-4-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.24431849E1  3.59019434E-2 -1.23383027E-5  1.92175875E-9-1.11749823E-13    2
   -6.6407029E4  -1.38242592E2   -1.9597566E0  1.21547973E-1 -9.55006683E-5    3
   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET6-5-2        -THERMH  16O   3C   8     G     300.0    5000.0  1397.0      1
   3.24431849E1  3.59019434E-2 -1.23383027E-5  1.92175875E-9-1.11749823E-13    2
   -6.6407029E4  -1.38242592E2   -1.9597566E0  1.21547973E-1 -9.55006683E-5    3
   3.9222511E-8 -6.5813469E-12  -5.49748058E4   4.46704694E1                   4
C8KET6-7-2        -THERMH  16O   3C   8     G     300.0    5000.0  1392.0      1
   3.08324256E1   3.7345013E-2    -1.28511E-5  2.00323907E-9-1.16548241E-13    2
  -6.51689673E4    -1.263148E2   1.58441419E0  1.04832457E-1 -7.30569262E-5    3
  2.68394176E-8-4.11817398E-12  -5.48394718E4   3.12101011E1                   4
C8KET7-3-2        -THERMH  16O   3C   8     G     300.0    5000.0  1396.0      1
   3.16344564E1  3.65297138E-2 -1.25409935E-5  1.95189144E-9-1.13441436E-13    2
  -6.32244697E4  -1.31783394E2  6.68088942E-1    1.095989E-1 -7.89857764E-5    3
  2.96951078E-8-4.59657742E-12  -5.25268314E4   3.42928566E1                   4
C8KET7-4-2        -THERMH  16O   3C   8     G     300.0    5000.0  1396.0      1
   3.16344564E1  3.65297138E-2 -1.25409935E-5  1.95189144E-9-1.13441436E-13    2
  -6.32244697E4  -1.31783394E2  6.68088942E-1    1.095989E-1 -7.89857764E-5    3
  2.96951078E-8-4.59657742E-12  -5.25268314E4   3.42928566E1                   4
C8KET7-5-2        -THERMH  16O   3C   8     G     300.0    5000.0  1396.0      1
   3.16344564E1  3.65297138E-2 -1.25409935E-5  1.95189144E-9-1.13441436E-13    2
  -6.32244697E4  -1.31783394E2  6.68088942E-1    1.095989E-1 -7.89857764E-5    3
  2.96951078E-8-4.59657742E-12  -5.25268314E4   3.42928566E1                   4
C8KET7-6-2        -THERMH  16O   3C   8     G     300.0    5000.0  1396.0      1
   3.16344564E1  3.65297138E-2 -1.25409935E-5  1.95189144E-9-1.13441436E-13    2
  -6.32244697E4  -1.31783394E2  6.68088942E-1    1.095989E-1 -7.89857764E-5    3
  2.96951078E-8-4.59657742E-12  -5.25268314E4   3.42928566E1                   4
HMN                     H  34C  16          G     300.0    5000.0   952.0      1
   3.44963955E1  9.59677318E-2 -3.00724437E-5  4.65532041E-9-2.84653657E-13    2
  -6.66985734E4  -1.48997309E2  -7.03504512E0   2.1148838E-1 -1.26422837E-4    3
  2.33496811E-8  3.0624218E-12  -5.61609183E4   6.34706758E1                   4
HMN-1                   H  33C  16          G     300.0    5000.0   931.0      1
   3.41702777E1  9.26751429E-2 -2.84628191E-5  4.33496806E-9-2.61801286E-13    2
  -4.16912054E4  -1.42721814E2  -8.50915214E0  2.28733156E-1 -1.79702446E-4    3
  7.38970642E-8-1.22883887E-11   -3.1623073E4   7.14677977E1                   4
HMN-2                   H  33C  16          G     300.0    5000.0   956.0      1
   3.33523549E1  9.38916633E-2 -2.92100313E-5   4.4950215E-9-2.73578836E-13    2
  -4.32258502E4  -1.36231991E2  -8.96299413E0  2.17415981E-1 -1.47419514E-4    3
  4.47366943E-8-3.74319062E-12  -3.26407369E4   7.91012091E1                   4
HMN-3                   H  33C  16          G     300.0    5000.0   936.0      1
   3.43618713E1  9.29730097E-2 -2.87760035E-5  4.41208406E-9-2.67872767E-13    2
  -4.15324196E4  -1.44110711E2  -7.53188905E0  2.21463457E-1 -1.61268823E-4    3
  5.67626898E-8 -7.0763565E-12  -3.14560766E4   6.72782805E1                   4
HMN-4                   H  33C  16          G     300.0    5000.0   954.0      1
   3.34998965E1  9.37936406E-2  -2.9182646E-5  4.49164549E-9-2.73426714E-13    2
  -4.33314687E4  -1.38101656E2  -8.62129803E0  2.16937486E-1 -1.46882176E-4    3
    4.419319E-8-3.54341416E-12  -3.28257226E4   7.61454212E1                   4
HMN-5                   H  33C  16          G     300.0    5000.0   941.0      1
   3.17059009E1  9.34230299E-2 -2.84925504E-5  4.30636459E-9-2.58221004E-13    2
  -4.42340524E4  -1.28043793E2  -5.39695347E0  2.03586034E-1 -1.39282157E-4    3
  4.76335895E-8-6.07469583E-12  -3.49572018E4   6.04911827E1                   4
HMN-6                   H  33C  16          G     300.0    5000.0   937.0      1
   3.43126368E1  9.29949025E-2 -2.87759871E-5  4.41121202E-9-2.67780297E-13    2
  -4.17745519E4  -1.44001993E2  -8.14194342E0  2.24039706E-1 -1.66048461E-4    3
  6.07340449E-8-8.24347242E-12  -3.15802393E4   7.00649453E1                   4
HMN-7                   H  33C  16          G     300.0    5000.0   954.0      1
   3.34905183E1  9.38002897E-2 -2.91913013E-5  4.49393141E-9-2.73613932E-13    2
  -4.31823711E4  -1.37790219E2  -8.67859491E0  2.16845957E-1 -1.46337369E-4    3
  4.35918475E-8-3.34820514E-12  -3.26522978E4   7.67616552E1                   4
HMN-8                   H  33C  16          G     300.0    5000.0   944.0      1
   3.46113989E1  9.36557005E-2 -2.94135837E-5   4.5653657E-9-2.79812486E-13    2
  -4.14034385E4  -1.45609874E2  -5.80448016E0  2.07585711E-1 -1.26028746E-4    3
   2.4240325E-8 2.75745484E-12  -3.12839462E4   6.06226297E1                   4
AC16H32           -THERMH  32C  16          G     300.0    5000.0  1399.0      1
   5.52926707E1  6.55359399E-2 -2.21651131E-5   3.4167593E-9-1.97296354E-13    2
  -6.51128442E4  -2.70624731E2  -1.02053692E1   2.2681523E-1 -1.74655502E-4    3
  6.90963881E-8-1.10351938E-11  -4.34123691E4   7.78412961E1                   4
BC16H32           -THERMH  32C  16          G     300.0    5000.0  1400.0      1
   5.56151516E1  6.53257313E-2 -2.21042381E-5  3.40828151E-9-1.96838438E-13    2
  -6.34075302E4  -2.71970628E2  -1.06936316E1  2.30254755E-1  -1.7995734E-4    3
  7.23150132E-8-1.17232995E-11  -4.16023167E4   8.02240128E1                   4
CC16H32           -THERMH  32C  16          G     300.0    5000.0  1399.0      1
   5.52926707E1  6.55359399E-2 -2.21651131E-5   3.4167593E-9-1.97296354E-13    2
  -6.51128442E4  -2.70624731E2  -1.02053692E1   2.2681523E-1 -1.74655502E-4    3
  6.90963881E-8-1.10351938E-11  -4.34123691E4   7.78412961E1                   4
C16H31-1          -THERMH  31C  16          G     300.0    5000.0  1398.0      1
   5.50946241E1  6.28275499E-2 -2.11689329E-5  3.25563135E-9-1.87711383E-13    2
  -3.97485523E4  -2.65914551E2  -9.43101339E0  2.20385681E-1 -1.68030763E-4    3
  6.52756557E-8 -1.0180158E-11  -1.83056817E4   7.77361561E1                   4
C16H31-2          -THERMH  31C  16          G     300.0    5000.0  1398.0      1
   5.50946241E1  6.28275499E-2 -2.11689329E-5  3.25563135E-9-1.87711383E-13    2
  -3.97485523E4  -2.65914551E2  -9.43101339E0  2.20385681E-1 -1.68030763E-4    3
  6.52756557E-8 -1.0180158E-11  -1.83056817E4   7.77361561E1                   4
C16H31-3          -THERMH  31C  16          G     300.0    5000.0  1398.0      1
   5.50946241E1  6.28275499E-2 -2.11689329E-5  3.25563135E-9-1.87711383E-13    2
  -3.97485523E4  -2.65914551E2  -9.43101339E0  2.20385681E-1 -1.68030763E-4    3
  6.52756557E-8 -1.0180158E-11  -1.83056817E4   7.77361561E1                   4
HMN-1O            -THERMH  33O   1C  16     G     300.0    5000.0  1399.0      1
   5.81261746E1  6.84618619E-2  -2.3400814E-5   3.6321682E-9-2.10718158E-13    2
  -6.95812193E4  -2.82010025E2  -9.74541222E0  2.35124956E-1 -1.81188129E-4    3
  7.19749209E-8-1.15924489E-11  -4.69616749E4   7.93906061E1                   4
HMN-2O            -THERMH  33O   1C  16     G     300.0    5000.0  1401.0      1
   5.88253095E1  6.76701749E-2 -2.30852819E-5  3.57859921E-9-2.07427523E-13    2
  -7.03145804E4  -2.87852244E2  -1.03706078E1  2.39935142E-1  -1.8860035E-4    3
  7.63103565E-8-1.24789759E-11  -4.75205607E4   7.97128188E1                   4
HMN-3O            -THERMH  33O   1C  16     G     300.0    5000.0  1399.0      1
   5.81261746E1  6.84618619E-2  -2.3400814E-5   3.6321682E-9-2.10718158E-13    2
  -6.95812193E4  -2.83107157E2  -9.74541222E0  2.35124956E-1 -1.81188129E-4    3
  7.19749209E-8-1.15924489E-11  -4.69616749E4   7.82934747E1                   4
HMN-4O            -THERMH  33O   1C  16     G     300.0    5000.0  1401.0      1
   5.88253095E1  6.76701749E-2 -2.30852819E-5  3.57859921E-9-2.07427523E-13    2
  -7.03145804E4  -2.87852244E2  -1.03706078E1  2.39935142E-1  -1.8860035E-4    3
  7.63103565E-8-1.24789759E-11  -4.75205607E4   7.97128188E1                   4
HMN-5O            -THERMH  33O   1C  16     G     300.0    5000.0  1399.0      1
   5.87481765E1  6.80464336E-2 -2.32806937E-5  3.61569296E-9-2.09846561E-13    2
  -7.31237514E4  -2.87982491E2  -9.81259439E0  2.38673572E-1 -1.87700401E-4    3
  7.63088397E-8-1.25804018E-11  -5.04721768E4   7.63313343E1                   4
HMN-6O            -THERMH  33O   1C  16     G     300.0    5000.0  1399.0      1
   5.81261746E1  6.84618619E-2  -2.3400814E-5   3.6321682E-9-2.10718158E-13    2
  -6.95812193E4  -2.83107157E2  -9.74541222E0  2.35124956E-1 -1.81188129E-4    3
  7.19749209E-8-1.15924489E-11  -4.69616749E4   7.82934747E1                   4
HMN-7O            -THERMH  33O   1C  16     G     300.0    5000.0  1401.0      1
   5.88253095E1  6.76701749E-2 -2.30852819E-5  3.57859921E-9-2.07427523E-13    2
  -7.03145804E4  -2.87852244E2  -1.03706078E1  2.39935142E-1  -1.8860035E-4    3
  7.63103565E-8-1.24789759E-11  -4.75205607E4   7.97128188E1                   4
HMN-8O            -THERMH  33O   1C  16     G     300.0    5000.0  1399.0      1
   5.81261746E1  6.84618619E-2  -2.3400814E-5   3.6321682E-9-2.10718158E-13    2
  -6.95812193E4  -2.82010025E2  -9.74541222E0  2.35124956E-1 -1.81188129E-4    3
  7.19749209E-8-1.15924489E-11  -4.69616749E4   7.93906061E1                   4
HMN-1O2                 H  33O   2C  16     G     300.0    5000.0   939.0      1
    3.6736041E1  9.81825831E-2 -3.12548535E-5  4.90598591E-9 -3.0329332E-13    2
  -5.94617512E4  -1.53344757E2  -3.42496012E0  2.06339528E-1 -1.10274185E-4    3
  6.79783749E-9 8.32578369E-12  -4.92526021E4   5.26277751E1                   4
HMN-2O2                 H  33O   2C  16     G     300.0    5000.0   928.0      1
   3.70732892E1  9.81957807E-2 -3.11531963E-5  4.87551203E-9-3.00734422E-13    2
  -6.08323204E4  -1.56852691E2  -4.10519822E0  2.19384185E-1 -1.44251212E-4    3
  3.86305632E-8-1.46341439E-12   -5.0771397E4   5.19809469E1                   4
HMN-3O2                 H  33O   2C  16     G     300.0    5000.0   937.0      1
   3.68027253E1  9.82121052E-2  -3.1266793E-5  4.90796567E-9-3.03418421E-13    2
  -5.92425415E4  -1.54032224E2  -3.33148491E0   2.0765636E-1 -1.14464938E-4    3
  1.09930977E-8 6.99279283E-12    -4.909322E4   5.14922019E1                   4
HMN-4O2                 H  33O   2C  16     G     300.0    5000.0   930.0      1
   3.70093712E1  9.81688506E-2 -3.11426024E-5  4.87382457E-9-3.00631983E-13    2
  -6.10550364E4  -1.56186165E2  -4.19854863E0  2.18066579E-1  -1.4005884E-4    3
  3.44339363E-8  -1.300272E-13  -5.09307938E4   5.31159792E1                   4
HMN-5O2                 H  33O   2C  16     G     300.0    5000.0   924.0      1
   3.75058358E1  9.81888089E-2 -3.11853163E-5  4.88526964E-9-3.01585618E-13    2
  -6.24732386E4  -1.59848464E2  -2.95326165E0  2.15364259E-1 -1.34655024E-4    3
  2.91340149E-8 1.61803726E-12  -5.25786372E4   4.56085816E1                   4
HMN-6O2                 H  33O   2C  16     G     300.0    5000.0   939.0      1
    3.6736041E1  9.81825831E-2 -3.12548535E-5  4.90598591E-9 -3.0329332E-13    2
  -5.94617512E4  -1.53344757E2  -3.42496012E0  2.06339528E-1 -1.10274185E-4    3
  6.79783749E-9 8.32578369E-12  -4.92526021E4   5.26277751E1                   4
HMN-7O2                 H  33O   2C  16     G     300.0    5000.0   930.0      1
   3.70093712E1  9.81688506E-2 -3.11426024E-5  4.87382457E-9-3.00631983E-13    2
  -6.10550364E4  -1.56186165E2  -4.19854863E0  2.18066579E-1  -1.4005884E-4    3
  3.44339363E-8  -1.300272E-13  -5.09307938E4   5.31159792E1                   4
HMN-8O2                 H  33O   2C  16     G     300.0    5000.0   937.0      1
   3.68027253E1  9.82121052E-2  -3.1266793E-5  4.90796567E-9-3.03418421E-13    2
  -5.92425415E4  -1.54032224E2  -3.33148491E0   2.0765636E-1 -1.14464938E-4    3
  1.09930977E-8 6.99279283E-12    -4.909322E4   5.14922019E1                   4
HMNOOH1-1               H  33O   2C  16     G     300.0    5000.0   914.0      1
   3.79303833E1  9.65224362E-2 -3.04100988E-5  4.74266325E-9-2.91990533E-13    2
  -5.08701876E4  -1.54197434E2 -7.76262632E-1  2.08497861E-1 -1.25837699E-4    3
  2.19491933E-8  3.9246039E-12  -4.15162253E4   4.20972631E1                   4
HMNOOH1-2               H  33O   2C  16     G     300.0    5000.0   915.0      1
   3.72677483E1  9.58020577E-2 -2.92992846E-5  4.45479241E-9-2.68924415E-13    2
  -5.35703901E4  -1.48484851E2  -1.13509541E1   2.6305274E-1 -2.36232863E-4    3
  1.15438116E-7-2.33598822E-11  -4.27426372E4   9.23393803E1                   4
HMNOOH1-3               H  33O   2C  16     G     300.0    5000.0   909.0      1
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HMNOOH1-4               H  33O   2C  16     G     300.0    5000.0   908.0      1
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HMNOOH2-3               H  33O   2C  16     G     300.0    5000.0   894.0      1
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HMNOOH2-5               H  33O   2C  16     G     300.0    5000.0   893.0      1
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HMNOOH1-2O2             H  33O   4C  16     G     300.0    5000.0   905.0      1
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  2.78230887E-8 1.95858735E-12  -6.14956643E4   3.25430508E1                   4
HMNOOH1-3O2             H  33O   4C  16     G     300.0    5000.0   914.0      1
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   2.7154806E-9 9.53519347E-12  -5.97945915E4   3.15319867E1                   4
HMNOOH1-4O2             H  33O   4C  16     G     300.0    5000.0   905.0      1
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HMNOOH2-1O2             H  33O   4C  16     G     300.0    5000.0   900.0      1
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HMNOOH2-3O2             H  33O   4C  16     G     300.0    5000.0   902.0      1
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HMNOOH2-4O2             H  33O   4C  16     G     300.0    5000.0   893.0      1
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HMNOOH2-5O2             H  33O   4C  16     G     300.0    5000.0   885.0      1
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HMNOOH2-6O2             H  33O   4C  16     G     300.0    5000.0   903.0      1
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HMNOOH2-7O2             H  33O   4C  16     G     300.0    5000.0   891.0      1
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HMNOOH3-1O2             H  33O   4C  16     G     300.0    5000.0   914.0      1
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HMNOOH3-2O2             H  33O   4C  16     G     300.0    5000.0   904.0      1
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HMNOOH3-3O2             H  33O   4C  16     G     300.0    5000.0   915.0      1
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HMNOOH3-4O2             H  33O   4C  16     G     300.0    5000.0   907.0      1
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HMNOOH3-5O2             H  33O   4C  16     G     300.0    5000.0   899.0      1
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HMNOOH3-6O2             H  33O   4C  16     G     300.0    5000.0   916.0      1
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HMNOOH3-7O2             H  33O   4C  16     G     300.0    5000.0   905.0      1
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HMNOOH4-1O2             H  33O   4C  16     G     300.0    5000.0   905.0      1
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HMNOOH4-2O2             H  33O   4C  16     G     300.0    5000.0   895.0      1
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HMNOOH4-3O2             H  33O   4C  16     G     300.0    5000.0   907.0      1
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HMNOOH4-5O2             H  33O   4C  16     G     300.0    5000.0   885.0      1
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HMNOOH4-6O2             H  33O   4C  16     G     300.0    5000.0   909.0      1
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HMNOOH4-7O2             H  33O   4C  16     G     300.0    5000.0   898.0      1
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HMNOOH4-8O2             H  33O   4C  16     G     300.0    5000.0   905.0      1
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HMNOOH5-2O2             H  33O   4C  16     G     300.0    5000.0   897.0      1
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HMNOOH5-3O2             H  33O   4C  16     G     300.0    5000.0   909.0      1
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HMNOOH5-4O2             H  33O   4C  16     G     300.0    5000.0   893.0      1
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HMNOOH5-6O2             H  33O   4C  16     G     300.0    5000.0   899.0      1
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HMNOOH5-7O2             H  33O   4C  16     G     300.0    5000.0   887.0      1
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HMNOOH5-8O2             H  33O   4C  16     G     300.0    5000.0   909.0      1
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HMNOOH6-2O2             H  33O   4C  16     G     300.0    5000.0   907.0      1
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HMNOOH6-3O2             H  33O   4C  16     G     300.0    5000.0   918.0      1
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HMNOOH6-4O2             H  33O   4C  16     G     300.0    5000.0   911.0      1
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HMNOOH6-5O2             H  33O   4C  16     G     300.0    5000.0   894.0      1
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HMNOOH6-7O2             H  33O   4C  16     G     300.0    5000.0   911.0      1
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HMNOOH6-8O2             H  33O   4C  16     G     300.0    5000.0   918.0      1
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HMNOOH7-2O2             H  33O   4C  16     G     300.0    5000.0   892.0      1
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HMNOOH7-3O2             H  33O   4C  16     G     300.0    5000.0   905.0      1
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HMNOOH7-4O2             H  33O   4C  16     G     300.0    5000.0   898.0      1
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HMNOOH7-5O2             H  33O   4C  16     G     300.0    5000.0   873.0      1
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HMNOOH7-6O2             H  33O   4C  16     G     300.0    5000.0   909.0      1
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HMNOOH7-8O2             H  33O   4C  16     G     300.0    5000.0   911.0      1
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HMNOOH8-4O2             H  33O   4C  16     G     300.0    5000.0   905.0      1
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HMNOOH8-5O2             H  33O   4C  16     G     300.0    5000.0   899.0      1
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HMNOOH8-6O2             H  33O   4C  16     G     300.0    5000.0   916.0      1
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HMNOOH8-7O2             H  33O   4C  16     G     300.0    5000.0   910.0      1
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HMNOOH8-8O2             H  33O   4C  16     G     300.0    5000.0   915.0      1
   4.01325558E1  1.02388161E-1 -3.31601436E-5  5.28467192E-9-3.30602847E-13    2
  -6.92674298E4  -1.63214558E2   2.35557442E0  2.03219425E-1 -1.00667332E-4    3
   -2.604705E-9 1.11946572E-11  -5.97683882E4   3.03774913E1                   4
HMN-1OOH                H  34O   2C  16     G     300.0    5000.0   927.0      1
   3.76102251E1  9.96696853E-2 -3.16326318E-5  4.95671583E-9-3.06090024E-13    2
  -7.62578078E4  -1.57750035E2  -1.56178198E0  2.08415302E-1 -1.17813257E-4    3
  1.50714822E-8 5.60499537E-12  -6.64622952E4   4.23158115E1                   4
HMN-2OOH                H  34O   2C  16     G     300.0    5000.0   913.0      1
   3.82997688E1  9.85129462E-2  -3.0905942E-5  4.80065905E-9-2.94615956E-13    2
  -7.73165824E4  -1.62303039E2  -3.51135433E0  2.26905616E-1 -1.59097582E-4    3
  4.97479087E-8-4.26954288E-12  -6.74385115E4   4.82062616E1                   4
HMN-3OOH                H  34O   2C  16     G     300.0    5000.0   927.0      1
   3.76102251E1  9.96696853E-2 -3.16326318E-5  4.95671583E-9-3.06090024E-13    2
  -7.62578078E4  -1.57060623E2  -1.56178198E0  2.08415302E-1 -1.17813257E-4    3
  1.50714822E-8 5.60499537E-12  -6.64622952E4   4.30052238E1                   4
HMN-4OOH                H  34O   2C  16     G     300.0    5000.0   918.0      1
   3.81986733E1   9.8643513E-2 -3.09738273E-5  4.81440753E-9-2.95602308E-13    2
  -7.76799815E4   -1.6188993E2  -4.29550972E0  2.28589709E-1 -1.60208198E-4    3
  4.99546651E-8-4.25090732E-12  -6.75973231E4   5.22393904E1                   4
HMN-5OOH                H  34O   2C  16     G     300.0    5000.0   921.0      1
   3.89547187E1  1.00197381E-1 -3.19930441E-5  5.03724125E-9-3.12246636E-13    2
  -7.89569358E4  -1.67292197E2  -1.81162485E0  2.16386776E-1 -1.28761584E-4    3
  2.08387171E-8 4.54421984E-12  -6.89759328E4   3.99995057E1                   4
HMN-6OOH                H  34O   2C  16     G     300.0    5000.0   931.0      1
   3.75145168E1  9.98000213E-2 -3.17004532E-5  4.97046013E-9-3.07076688E-13    2
  -7.66257449E4  -1.57373139E2  -2.34592147E0  2.10099293E-1 -1.18923654E-4    3
  1.52780477E-8 5.62368755E-12  -6.66211086E4   4.63488719E1                   4
HMN-7OOH                H  34O   2C  16     G     300.0    5000.0   918.0      1
   3.81986733E1   9.8643513E-2 -3.09738273E-5  4.81440753E-9-2.95602308E-13    2
  -7.76799815E4   -1.6188993E2  -4.29550972E0  2.28589709E-1 -1.60208198E-4    3
  4.99546651E-8-4.25090732E-12  -6.75973231E4   5.22393904E1                   4
HMN-8OOH                H  34O   2C  16     G     300.0    5000.0   927.0      1
   3.76102251E1  9.96696853E-2 -3.16326318E-5  4.95671583E-9-3.06090024E-13    2
  -7.62578078E4  -1.57750035E2  -1.56178198E0  2.08415302E-1 -1.17813257E-4    3
  1.50714822E-8 5.60499537E-12  -6.64622952E4   4.23158115E1                   4
HMNO1-1           -THERMH  32O   1C  16     G     300.0    5000.0  1397.0      1
   5.78072691E1  6.68538784E-2 -2.30880116E-5  3.60853151E-9-2.10361317E-13    2
  -7.50547787E4   -2.8465035E2   -1.3257851E1  2.38754006E-1 -1.82690235E-4    3
  7.11929283E-8-1.12008505E-11  -5.11290516E4   9.46496249E1                   4
HMNO1-2           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
    5.8270166E1  6.65587034E-2 -2.30063248E-5  3.59775583E-9-2.09809986E-13    2
  -7.61441284E4  -2.87471677E2  -1.34627375E1  2.41796875E-1 -1.87805747E-4    3
  7.44323731E-8-1.19134263E-11  -5.21555252E4   9.47978824E1                   4
HMNO1-3           -THERMH  32O   1C  16     G     300.0    5000.0  1394.0      1
   5.88683206E1  6.67935835E-2 -2.32566696E-5  3.65486283E-9-2.13877163E-13    2
  -8.82541593E4  -2.97059654E2  -1.55824897E1  2.43653376E-1  -1.8371185E-4    3
  6.98032355E-8-1.06678683E-11  -6.28666608E4   1.01457651E2                   4
HMNO1-4           -THERMH  32O   1C  16     G     300.0    5000.0  1395.0      1
   5.93433576E1  6.64933905E-2 -2.31747711E-5  3.64423871E-9-2.13342925E-13    2
  -8.97524893E4  -3.00642408E2  -1.57053018E1  2.46351252E-1  -1.8830807E-4    3
  7.27222962E-8-1.13106643E-11  -6.43088758E4   1.00531271E2                   4
HMNO2-3           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
    5.8270166E1  6.65587034E-2 -2.30063248E-5  3.59775583E-9-2.09809986E-13    2
  -7.57415114E4  -2.87879327E2  -1.34627375E1  2.41796875E-1 -1.87805747E-4    3
  7.44323731E-8-1.19134263E-11  -5.17529082E4   9.43902327E1                   4
HMNO2-4           -THERMH  32O   1C  16     G     300.0    5000.0  1399.0      1
   5.88062943E1  6.62415144E-2 -2.29265492E-5  3.58831653E-9-2.09379969E-13    2
  -7.77054637E4  -2.91906159E2   -1.4541831E1  2.48422001E-1 -1.98015987E-4    3
  8.07688714E-8-1.33054083E-11  -5.34439793E4   9.79622621E1                   4
HMNO2-5           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
   5.88012954E1  6.64491047E-2 -2.30445136E-5  3.61166702E-9-2.10942811E-13    2
  -8.96307359E4  -2.94616823E2  -1.52554348E1  2.48441013E-1 -1.95608693E-4    3
  7.85337847E-8-1.27286082E-11  -6.49552767E4   9.96844081E1                   4
HMNO2-6           -THERMH  32O   1C  16     G     300.0    5000.0  1395.0      1
   5.93433576E1  6.64933905E-2 -2.31747711E-5  3.64423871E-9-2.13342925E-13    2
  -9.09603404E4   -3.0173954E2  -1.57053018E1  2.46351252E-1  -1.8830807E-4    3
  7.27222962E-8-1.13106643E-11  -6.55167268E4   9.94341397E1                   4
HMNO2-7           -THERMH  32O   1C  16     G     300.0    5000.0  1867.0      1
   5.16298819E1  7.69430943E-2 -2.79004367E-5  4.51978952E-9-2.70473615E-13    2
  -8.61542308E4  -2.56314412E2  -1.68619604E1  2.52405715E-1  -1.9561632E-4    3
  7.58879284E-8-1.17057386E-11  -6.51660661E4   1.04204789E2                   4
HMNO3-3           -THERMH  32O   1C  16     G     300.0    5000.0  1397.0      1
   5.78072691E1  6.68538784E-2 -2.30880116E-5  3.60853151E-9-2.10361317E-13    2
  -7.42495447E4  -2.84368518E2   -1.3257851E1  2.38754006E-1 -1.82690235E-4    3
  7.11929283E-8-1.12008505E-11  -5.03238175E4   9.49314568E1                   4
HMNO3-4           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
    5.8270166E1  6.65587034E-2 -2.30063248E-5  3.59775583E-9-2.09809986E-13    2
  -7.65467454E4  -2.88568808E2  -1.34627375E1  2.41796875E-1 -1.87805747E-4    3
  7.44323731E-8-1.19134263E-11  -5.25581422E4    9.3700751E1                   4
HMNO3-5           -THERMH  32O   1C  16     G     300.0    5000.0  1396.0      1
   5.83700536E1  6.66633937E-2 -2.30865883E-5  3.61505931E-9-2.11016294E-13    2
  -8.73374094E4   -2.9126534E2  -1.51646809E1  2.45890746E-1 -1.91199471E-4    3
  7.56900988E-8-1.20939643E-11  -6.27033232E4   1.00757095E2                   4
HMNO3-6           -THERMH  32O   1C  16     G     300.0    5000.0  1394.0      1
   5.88683206E1  6.67935835E-2 -2.32566696E-5  3.65486283E-9-2.13877163E-13    2
  -8.74489252E4  -2.98156786E2  -1.55824897E1  2.43653376E-1  -1.8371185E-4    3
  6.98032355E-8-1.06678683E-11  -6.20614267E4   1.00360519E2                   4
HMNO3-7           -THERMH  32O   1C  16     G     300.0    5000.0  1395.0      1
   5.93433576E1  6.64933905E-2 -2.31747711E-5  3.64423871E-9-2.13342925E-13    2
  -9.01551064E4   -3.0173954E2  -1.57053018E1  2.46351252E-1  -1.8830807E-4    3
  7.27222962E-8-1.13106643E-11  -6.47114928E4   9.94341397E1                   4
HMNO4-5           -THERMH  32O   1C  16     G     300.0    5000.0  1399.0      1
   5.91933763E1  6.56326003E-2 -2.26530664E-5  3.53890396E-9-2.06227059E-13    2
  -7.90151174E4  -2.93192634E2  -1.17719264E1   2.4253713E-1 -1.93436657E-4    3
  7.91876557E-8-1.31029527E-11  -5.56007993E4   8.37903648E1                   4
HMNO4-6           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
    5.8270166E1  6.65587034E-2 -2.30063248E-5  3.59775583E-9-2.09809986E-13    2
  -7.65467454E4  -2.88568808E2  -1.34627375E1  2.41796875E-1 -1.87805747E-4    3
  7.44323731E-8-1.19134263E-11  -5.25581422E4    9.3700751E1                   4
HMNO4-7           -THERMH  32O   1C  16     G     300.0    5000.0  1399.0      1
   5.88062943E1  6.62415144E-2 -2.29265492E-5  3.58831653E-9-2.09379969E-13    2
  -7.81080808E4  -2.91906159E2   -1.4541831E1  2.48422001E-1 -1.98015987E-4    3
  8.07688714E-8-1.33054083E-11  -5.38465963E4   9.79622621E1                   4
HMNO4-8           -THERMH  32O   1C  16     G     300.0    5000.0  1395.0      1
   5.93433576E1  6.64933905E-2 -2.31747711E-5  3.64423871E-9-2.13342925E-13    2
  -8.81420213E4  -3.00642408E2  -1.57053018E1  2.46351252E-1  -1.8830807E-4    3
  7.27222962E-8-1.13106643E-11  -6.26984078E4   1.00531271E2                   4
HMNO5-6           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
     5.874038E1  6.59046022E-2  -2.2723551E-5  3.54760151E-9-2.06644203E-13    2
  -7.67178705E4    -2.904187E2  -1.16002126E1  2.39669762E-1   -1.885983E-4    3
  7.61165329E-8-1.24260139E-11  -5.33622517E4   8.37896887E1                   4
HMNO5-7           -THERMH  32O   1C  16     G     300.0    5000.0  1399.0      1
   5.91933763E1  6.56326003E-2 -2.26530664E-5  3.53890396E-9-2.06227059E-13    2
  -7.65994153E4  -2.93192634E2  -1.17719264E1   2.4253713E-1 -1.93436657E-4    3
  7.91876557E-8-1.31029527E-11  -5.31850972E4   8.37903648E1                   4
HMNO5-8           -THERMH  32O   1C  16     G     300.0    5000.0  1396.0      1
   5.83700536E1  6.66633937E-2 -2.30865883E-5  3.61505931E-9-2.11016294E-13    2
  -8.73374094E4   -2.9085769E2  -1.51646809E1  2.45890746E-1 -1.91199471E-4    3
  7.56900988E-8-1.20939643E-11  -6.27033232E4   1.01164744E2                   4
HMNO6-7           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
    5.8270166E1  6.65587034E-2 -2.30063248E-5  3.59775583E-9-2.09809986E-13    2
  -7.53388944E4  -2.88568808E2  -1.34627375E1  2.41796875E-1 -1.87805747E-4    3
  7.44323731E-8-1.19134263E-11  -5.13502912E4    9.3700751E1                   4
HMNO6-8           -THERMH  32O   1C  16     G     300.0    5000.0  1394.0      1
   5.88683206E1  6.67935835E-2 -2.32566696E-5  3.65486283E-9-2.13877163E-13    2
  -8.74489252E4  -2.97749136E2  -1.55824897E1  2.43653376E-1  -1.8371185E-4    3
  6.98032355E-8-1.06678683E-11  -6.20614267E4   1.00768169E2                   4
HMNO7-8           -THERMH  32O   1C  16     G     300.0    5000.0  1398.0      1
    5.8270166E1  6.65587034E-2 -2.30063248E-5  3.59775583E-9-2.09809986E-13    2
  -7.69493624E4  -2.87471677E2  -1.34627375E1  2.41796875E-1 -1.87805747E-4    3
  7.44323731E-8-1.19134263E-11  -5.29607593E4   9.47978824E1                   4
HMNO8-8           -THERMH  32O   1C  16     G     300.0    5000.0  1397.0      1
   5.78072691E1  6.68538784E-2 -2.30880116E-5  3.60853151E-9-2.10361317E-13    2
  -7.42495447E4  -2.83960868E2   -1.3257851E1  2.38754006E-1 -1.82690235E-4    3
  7.11929283E-8-1.12008505E-11  -5.03238175E4   9.53391065E1                   4
HMNKET1-1         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
   6.22720427E1  6.74760359E-2 -2.31503104E-5  3.60227139E-9-2.09346122E-13    2
  -9.87664048E4  -2.96138493E2  -6.36538437E0  2.35175402E-1 -1.80734371E-4    3
  7.12054957E-8-1.13452313E-11  -7.58303421E4   6.96003999E1                   4
HMNKET1-2         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.26387891E1  6.70520968E-2 -2.29792929E-5  3.57300319E-9-2.07538003E-13    2
  -9.93623856E4  -2.99492344E2  -7.23354323E0  2.40256814E-1 -1.88547639E-4    3
  7.59244954E-8 -1.2346848E-11  -7.62706441E4   7.19301991E1                   4
HMNKET1-3         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
   6.22720427E1  6.74760359E-2 -2.31503104E-5  3.60227139E-9-2.09346122E-13    2
  -9.87664048E4  -2.96138493E2  -6.36538437E0  2.35175402E-1 -1.80734371E-4    3
  7.12054957E-8-1.13452313E-11  -7.58303421E4   6.96003999E1                   4
HMNKET1-4         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.26387891E1  6.70520968E-2 -2.29792929E-5  3.57300319E-9-2.07538003E-13    2
  -1.00570237E5  -2.89603063E2  -7.23354323E0  2.40256814E-1 -1.88547639E-4    3
  7.59244954E-8 -1.2346848E-11  -7.74784952E4   8.18194795E1                   4
HMNKET2-1         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
    6.1966457E1  6.80981555E-2 -2.34430716E-5  3.65594972E-9-2.12789593E-13    2
  -1.00577789E5   -2.9517534E2  -7.51239778E0  2.38063796E-1 -1.83773009E-4    3
  7.28821723E-8-1.17135309E-11  -7.73393848E4   7.50431276E1                   4
HMNKET2-3         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
    6.1966457E1  6.80981555E-2 -2.34430716E-5  3.65594972E-9-2.12789593E-13    2
  -1.00577789E5  -2.96272472E2  -7.51239778E0  2.38063796E-1 -1.83773009E-4    3
  7.28821723E-8-1.17135309E-11  -7.73393848E4   7.39459963E1                   4
HMNKET2-4         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
    6.2327254E1  6.76839702E-2 -2.32763085E-5   3.6274268E-9-2.11027806E-13    2
  -1.01574124E5  -2.99593107E2   -8.3799418E0  2.43144964E-1 -1.91591336E-4    3
  7.76083207E-8-1.27174277E-11  -7.81824446E4   7.62725313E1                   4
HMNKET2-5         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.22948358E1  6.76046487E-2 -2.32240547E-5  3.61657798E-9-2.10284015E-13    2
  -1.03484452E5  -2.99900896E2  -7.87989075E0  2.43283348E-1 -1.93686921E-4    3
   7.9524409E-8-1.32153805E-11   -8.0401233E4   7.26239504E1                   4
HMNKET2-6         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
    6.1966457E1  6.80981555E-2 -2.34430716E-5  3.65594972E-9-2.12789593E-13    2
  -1.00980406E5  -2.96272472E2  -7.51239778E0  2.38063796E-1 -1.83773009E-4    3
  7.28821723E-8-1.17135309E-11  -7.77420018E4   7.39459963E1                   4
HMNKET2-7         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
    6.2327254E1  6.76839702E-2 -2.32763085E-5   3.6274268E-9-2.11027806E-13    2
  -1.01574124E5  -2.99593107E2   -8.3799418E0  2.43144964E-1 -1.91591336E-4    3
  7.76083207E-8-1.27174277E-11  -7.81824446E4   7.62725313E1                   4
HMNKET3-1         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
   6.22720427E1  6.74760359E-2 -2.31503104E-5  3.60227139E-9-2.09346122E-13    2
  -9.87664048E4  -2.96138493E2  -6.36538437E0  2.35175402E-1 -1.80734371E-4    3
  7.12054957E-8-1.13452313E-11  -7.58303421E4   6.96003999E1                   4
HMNKET3-2         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.26387891E1  6.70520968E-2 -2.29792929E-5  3.57300319E-9-2.07538003E-13    2
  -9.85571516E4  -3.00589475E2  -7.23354323E0  2.40256814E-1 -1.88547639E-4    3
  7.59244954E-8 -1.2346848E-11  -7.54654101E4   7.08330677E1                   4
HMNKET3-3         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
   6.22720427E1  6.74760359E-2 -2.31503104E-5  3.60227139E-9-2.09346122E-13    2
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  7.12054957E-8-1.13452313E-11  -7.66355761E4   6.85032686E1                   4
HMNKET3-4         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.26387891E1  6.70520968E-2 -2.29792929E-5  3.57300319E-9-2.07538003E-13    2
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  7.59244954E-8 -1.2346848E-11  -7.66732611E4   7.08330677E1                   4
HMNKET3-5         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.26033867E1  6.69778956E-2 -2.29293217E-5  3.56256011E-9-2.06819704E-13    2
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  7.78719139E-8-1.28522281E-11  -7.92937938E4   6.72117203E1                   4
HMNKET3-6         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
   6.22720427E1  6.74760359E-2 -2.31503104E-5  3.60227139E-9-2.09346122E-13    2
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  7.12054957E-8-1.13452313E-11  -7.62329591E4   6.85032686E1                   4
HMNKET3-7         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.26387891E1  6.70520968E-2 -2.29792929E-5  3.57300319E-9-2.07538003E-13    2
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  7.59244954E-8 -1.2346848E-11  -7.62706441E4   7.08330677E1                   4
HMNKET4-1         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
    6.1874413E1  6.81754189E-2 -2.34688211E-5   3.6598196E-9-2.13007136E-13    2
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  7.39884708E-8-1.19669966E-11  -7.80684861E4   7.58816304E1                   4
HMNKET4-2         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.22383828E1  6.77583364E-2 -2.33010251E-5   3.6311329E-9 -2.1123574E-13    2
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  7.87894117E-8-1.29867749E-11   -7.8505222E4   7.72190613E1                   4
HMNKET4-3         -THERMH  32O   3C  16     G     300.0    5000.0  1406.0      1
   6.05512727E1  6.77978832E-2 -2.30088942E-5  3.55387299E-9-2.05461584E-13    2
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  8.43256233E-8-1.42582696E-11  -7.77530923E4   7.05212822E1                   4
HMNKET4-5         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
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  7.99397338E-8-1.31569273E-11  -7.90163801E4   7.45616548E1                   4
HMNKET4-6         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
    6.1874413E1  6.81754189E-2 -2.34688211E-5   3.6598196E-9-2.13007136E-13    2
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  7.39884708E-8-1.19669966E-11  -7.84711031E4   7.47844991E1                   4
HMNKET4-7         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
   6.22383828E1  6.77583364E-2 -2.33010251E-5   3.6311329E-9 -2.1123574E-13    2
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  7.87894117E-8-1.29867749E-11   -7.8907839E4   7.72190613E1                   4
HMNKET4-8         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
    6.1874413E1  6.81754189E-2 -2.34688211E-5   3.6598196E-9-2.13007136E-13    2
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  7.39884708E-8-1.19669966E-11  -7.80684861E4   7.58816304E1                   4
HMNKET6-2         -THERMH  32O   3C  16     G     300.0    5000.0  1402.0      1
   6.25328875E1  6.71657461E-2 -2.30224348E-5    3.580045E-9-2.07957277E-13    2
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  7.64258829E-8-1.24705769E-11  -7.62287546E4   7.07239232E1                   4
HMNKET6-3         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
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   7.1710009E-8-1.14696361E-11  -7.61909221E4   6.83984436E1                   4
HMNKET6-4         -THERMH  32O   3C  16     G     300.0    5000.0  1402.0      1
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  7.64258829E-8-1.24705769E-11  -7.66313716E4   7.07239232E1                   4
HMNKET6-5         -THERMH  32O   3C  16     G     300.0    5000.0  1402.0      1
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  7.82221784E-8-1.27786792E-11  -7.75082295E4   6.90900756E1                   4
HMNKET6-7         -THERMH  32O   3C  16     G     300.0    5000.0  1402.0      1
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  7.64258829E-8-1.24705769E-11  -7.66313716E4   7.07239232E1                   4
HMNKET6-8         -THERMH  32O   3C  16     G     300.0    5000.0  1405.0      1
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HMNKET7-2         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
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HMNKET7-3         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
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HMNKET7-4         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
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HMNKET7-5         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
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HMNKET7-6         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
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HMNKET7-8         -THERMH  32O   3C  16     G     300.0    5000.0  1399.0      1
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HMNKET8-4         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
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HMNKET8-5         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
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HMNKET8-6         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
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HMNKET8-7         -THERMH  32O   3C  16     G     300.0    5000.0  1401.0      1
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HMNKET8-8         -THERMH  32O   3C  16     G     300.0    5000.0  1400.0      1
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C16H31Q14-5             H  33O   4C  16     G     300.0    5000.0   870.0      1
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C16H31Q24-5             H  33O   4C  16     G     300.0    5000.0   873.0      1
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C16H31Q25-4             H  33O   4C  16     G     300.0    5000.0   871.0      1
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C16H31Q25-6             H  33O   4C  16     G     300.0    5000.0   866.0      1
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C16H31Q25-7             H  33O   4C  16     G     300.0    5000.0   882.0      1
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C16H31Q26-5             H  33O   4C  16     G     300.0    5000.0   881.0      1
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C16H31Q27-5             H  33O   4C  16     G     300.0    5000.0   866.0      1
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C16H31Q34-5             H  33O   4C  16     G     300.0    5000.0   877.0      1
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C16H31Q35-4             H  33O   4C  16     G     300.0    5000.0   893.0      1
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C16H31Q35-6             H  33O   4C  16     G     300.0    5000.0   881.0      1
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C16H31Q35-7             H  33O   4C  16     G     300.0    5000.0   893.0      1
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C16H31Q36-5             H  33O   4C  16     G     300.0    5000.0   892.0      1
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C16H31Q37-5             H  33O   4C  16     G     300.0    5000.0   894.0      1
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C16H31Q45-6             H  33O   4C  16     G     300.0    5000.0   854.0      1
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C16H31Q45-7             H  33O   4C  16     G     300.0    5000.0   866.0      1
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C16H31Q46-5             H  33O   4C  16     G     300.0    5000.0   886.0      1
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C16H31Q47-5             H  33O   4C  16     G     300.0    5000.0   869.0      1
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C8H15Q45-3              H  17O   4C   8     G     300.0    5000.0   881.0      1
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  -3.16132116E4  -7.46651807E1   1.26962072E1  6.49843678E-2  1.65312249E-5    3
 -5.36881823E-8 2.03154793E-11   -2.8492787E4  -1.86730238E1                   4
C12H23Q35-7             H  25O   4C  12     G     300.0    5000.0   878.0      1
   3.39080585E1   7.5939133E-2 -2.41967908E-5   3.8248946E-9-2.38295458E-13    2
   -4.8738776E4  -1.31735981E2   4.23186973E0  1.68100208E-1  -1.1105123E-4    3
  2.59167248E-8 1.04218885E-12  -4.20261295E4   1.67842443E1                   4
C12H23Q45-7             H  25O   4C  12     G     300.0    5000.0   843.0      1
   3.40351044E1  7.38518304E-2 -2.24080286E-5  3.40134065E-9-2.05474527E-13    2
   -4.8387357E4  -1.33966414E2  -2.69567367E0   2.1587251E-1  -2.1849951E-4    3
  1.19635064E-7-2.64883449E-11  -4.11660125E4   4.35476679E1                   4
C8H15Q23-1              H  17O   4C   8     G     300.0    5000.0   833.0      1
   2.51836416E1  5.10433061E-2 -1.55679081E-5  2.38264844E-9-1.45033789E-13    2
  -3.27753379E4  -8.80858608E1  5.05763552E-1   1.4740677E-1 -1.49914711E-4    3
  8.27922245E-8-1.85231001E-11  -2.79716069E4   3.09334937E1                   4
C12H23Q56-7             H  25O   4C  12     G     300.0    5000.0   862.0      1
   3.33512061E1  7.51585113E-2 -2.32399118E-5  3.58248122E-9-2.18962957E-13    2
  -4.77604973E4  -1.28973928E2 -9.30923774E-1  1.98569877E-1 -1.79103958E-4    3
  8.62542461E-8-1.69475264E-11  -4.06009283E4   3.89325545E1                   4
C8H15Q24-1              H  17O   4C   8     G     300.0    5000.0   810.0      1
   2.40962719E1  5.47293113E-2  -1.8736186E-5    3.108034E-9-2.00916292E-13    2
  -3.34316938E4  -8.39862727E1  -1.39832398E0   1.6571711E-1 -1.90844786E-4    3
  1.17161949E-7-2.83052829E-11  -2.90163366E4   3.61322115E1                   4
C8H15Q25-1              H  17O   4C   8     G     300.0    5000.0   859.0      1
   2.57317332E1  5.18873397E-2 -1.65587825E-5  2.63259149E-9-1.64958606E-13    2
  -3.38192791E4  -9.19843732E1   5.71398472E0  1.16757497E-1 -8.15085402E-5    3
  2.21487075E-8 -4.4123989E-13   -2.9465315E4   7.40428442E0                   4
IC4H7Q13-2              H   9O   4C   4     G     300.0    5000.0   903.0      1
   1.51659478E1  2.88463558E-2 -9.43882078E-6  1.54040421E-9-9.83821141E-14    2
  -1.74090616E4  -3.90445176E1   1.28360156E1  1.26136024E-2  6.09954677E-5    3
 -7.64614427E-8 2.54531575E-11  -1.60767422E4  -2.23484724E1                   4
C8H15-CD1OOH            H  16O   2C   8     G     300.0    5000.0   918.0      1
   1.95952141E1  4.69793612E-2  -1.4577161E-5  2.25498536E-9-1.38064316E-13    2
  -3.05575478E4  -6.57158891E1    2.4572802E0  9.50848474E-2 -5.47222759E-5    3
  9.66457817E-9 1.37720304E-12  -2.62555038E4   2.17775007E1                   4
C8H15-CD2OOH            H  16O   2C   8     G     300.0    5000.0   527.0      1
   1.59941852E1  4.89735954E-2 -1.81172161E-5   3.2339063E-9-2.20311388E-13    2
  -2.91343523E4  -4.55163095E1 -8.39935065E-1   1.0510039E-1 -7.72073646E-5    3
  3.15260212E-8-6.37268469E-12   -2.5669465E4   3.73515317E1                   4
C12H23-ED2OOH           H  24O   2C  12     G     300.0    5000.0   899.0      1
   2.84900601E1  6.98575596E-2 -2.14802582E-5  3.28953962E-9 -1.9980173E-13    2
  -4.65531183E4  -1.11987684E2 -9.74482336E-1  1.64918362E-1 -1.25550362E-4    3
  4.81099619E-8-7.01418717E-12  -3.97925261E4      3.52618E1                   4
C8H15-CD4OOH            H  16O   2C   8     G     300.0    5000.0   647.0      1
   1.66294634E1  5.21286655E-2 -2.10907794E-5  3.97484227E-9-2.79935605E-13    2
  -2.91254548E4    -5.062682E1  -3.31048848E0  1.13661933E-1  -8.8203512E-5    3
  4.03386213E-8 -9.5624557E-12  -2.44271126E4   4.97901561E1                   4
C12H23-ED3OOH           H  24O   2C  12     G     300.0    5000.0   920.0      1
   2.77848721E1  7.10538091E-2 -2.22276863E-5  3.45014386E-9-2.11631168E-13    2
  -4.54928259E4  -1.07357449E2  9.75089405E-1  1.46428052E-1 -8.42660467E-5    3
  1.34335445E-8 2.86034833E-12  -3.88163097E4   2.93713524E1                   4
C12H23-ED4OOH           H  24O   2C  12     G     300.0    5000.0   974.0      1
   2.87720374E1   6.8959937E-2 -2.35607008E-5  3.93459361E-9-2.54584305E-13    2
  -4.63987131E4  -1.14253774E2  -2.32209562E0  1.56443396E-1 -1.06750697E-4    3
  3.52946007E-8-4.88942343E-12  -3.82302743E4   4.53528628E1                   4
C8H15-AD2OOH            H  16O   2C   8     G     300.0    5000.0   647.0      1
   1.66294634E1  5.21286655E-2 -2.10907794E-5  3.97484227E-9-2.79935605E-13    2
  -2.91254548E4    -5.062682E1  -3.31048848E0  1.13661933E-1  -8.8203512E-5    3
  4.03386213E-8 -9.5624557E-12  -2.44271126E4   4.97901561E1                   4
C12H23-ED6OOH           H  24O   2C  12     G     300.0    5000.0   530.0      1
   2.22117165E1  7.68309463E-2 -2.90897798E-5  5.24969358E-9-3.59935329E-13    2
  -4.26139164E4  -7.48577745E1  -4.79266389E0  1.65005038E-1 -1.17747064E-4    3
  4.41073956E-8-8.07925312E-12  -3.69879203E4   5.84809629E1                   4
C8H15-AD3OOH            H  16O   2C   8     G     300.0    5000.0   527.0      1
   1.59941852E1  4.89735954E-2 -1.81172161E-5   3.2339063E-9-2.20311388E-13    2
  -2.91343523E4  -4.55163095E1 -8.39935065E-1   1.0510039E-1 -7.72073646E-5    3
  3.15260212E-8-6.37268469E-12   -2.5669465E4   3.73515317E1                   4
C8H15-AD4OOH            H  16O   2C   8     G     300.0    5000.0   918.0      1
   1.95952141E1  4.69793612E-2  -1.4577161E-5  2.25498536E-9-1.38064316E-13    2
  -3.05575478E4    -6.681291E1    2.4572802E0  9.50848474E-2 -5.47222759E-5    3
  9.66457817E-9 1.37720304E-12  -2.62555038E4   2.06804798E1                   4
IC4H7-AD2OOH            H   8O   2C   4     G     300.0    5000.0   535.0      1
   8.91757731E0  2.33037673E-2 -7.42437418E-6  1.18800368E-9-7.47636242E-14    2
  -1.34441101E4   -1.1724674E1   1.48843356E0  4.21297123E-2 -1.42719384E-5    3
 -4.94448848E-9 3.05039553E-12  -1.17160172E4   2.61042968E1                   4
C14H27            -THERMH  27C  14          G     300.0    5000.0  1387.0      1
   4.29511298E1  5.92795277E-2 -2.00571621E-5  3.09256726E-9-1.78603414E-13    2
  -2.48215244E4  -1.88835933E2  -2.66832382E0  1.59330945E-1 -1.01315774E-4    3
  3.20099234E-8-3.95839885E-12  -8.38654107E3   5.83836636E1                   4
C10H21-1          -THERMH  21C  10          G     300.0    5000.0  1390.0      1
    3.1569716E1  4.55818403E-2 -1.54994965E-5  2.39710933E-9-1.38709559E-13    2
  -2.15737832E4  -1.34708986E2  -1.31358348E0  1.17972813E-1 -7.51843079E-5    3
  2.43331106E-8-3.17522852E-12   -9.6896755E3   4.35010452E1                   4
C9H19-1           -THERMH  19C   9          G     300.0    5000.0  1390.0      1
   2.83097514E1  4.12657344E-2 -1.40383289E-5  2.17174871E-9-1.25692307E-13    2
   -1.7451603E4  -1.18629543E2  -1.04387292E0  1.05617283E-1 -6.68199971E-5    3
  2.14486166E-8-2.77404275E-12  -6.80818512E3   4.05602534E1                   4
C9KET1-2                H  18O   3C   9     G     300.0    5000.0  1395.0      1
   3.60841008E1  3.96473547E-2 -1.36414265E-5  2.12645778E-9-1.23725139E-13    2
  -6.57380092E4  -1.53798329E2  2.21042108E-1  1.25202489E-1  -9.2480603E-5    3
  3.55355468E-8-5.60532892E-12  -5.34519897E4   3.81933957E1                   4
C9KET1-3                H  18O   3C   9     G     300.0    5000.0  1391.0      1
   3.49265227E1  4.05456493E-2  -1.3931613E-5  2.16963091E-9-1.26150722E-13    2
  -6.63371836E4  -1.46405371E2   2.65048145E0  1.14647994E-1 -7.93656509E-5    3
  2.87453729E-8-4.32497281E-12  -5.49275303E4    2.7516328E1                   4
C9KET1-4                H  18O   3C   9     G     300.0    5000.0  1391.0      1
   3.49265227E1  4.05456493E-2  -1.3931613E-5  2.16963091E-9-1.26150722E-13    2
  -6.63371836E4  -1.46405371E2   2.65048145E0  1.14647994E-1 -7.93656509E-5    3
  2.87453729E-8-4.32497281E-12  -5.49275303E4    2.7516328E1                   4
C8H141-3                H  14C   8          G     300.0    5000.0  1395.0      1
   2.38754689E1   3.1785827E-2 -1.09308926E-5  1.70306822E-9 -9.9046957E-14    2
  -1.02472486E4   -9.9294266E1  -3.46444987E0  9.99509285E-2 -7.79911544E-5    3
  3.24826109E-8-5.59338809E-12  -1.08605939E3   4.61739924E1                   4
C9H161-3                H  16C   9          G     300.0    5000.0  1394.0      1
   2.71547365E1  3.63107022E-2 -1.25125954E-5  1.95219579E-9 -1.1364533E-13    2
  -1.44358121E4  -1.15598497E2  -3.81339921E0  1.12902115E-1 -8.73435657E-5    3
  3.61408195E-8-6.20406224E-12  -3.97819825E3   4.94261558E1                   4
IC12KET1-2              H  24O   3C  12     G     300.0    5000.0  1394.0      1
   4.55898728E1  5.31250908E-2 -1.82691611E-5  2.84676741E-9-1.65589525E-13    2
  -7.80336986E4  -2.00571761E2 -3.25554994E-1   1.6121136E-1 -1.16344903E-4    3
   4.3740417E-8-6.77235945E-12  -6.21377088E4   4.57845957E1                   4
IC12KET1-3              H  24O   3C  12     G     300.0    5000.0  1391.0      1
   4.44326799E1  5.40311204E-2 -1.85636954E-5  2.89078596E-9-1.68070827E-13    2
  -7.86334831E4   -1.9318338E2   2.09319905E0  1.50718255E-1 -1.03321455E-4    3
  3.70082886E-8  -5.505136E-12  -6.36120922E4   3.51536853E1                   4
IC12KET1-4              H  24O   3C  12     G     300.0    5000.0  1391.0      1
   4.44326799E1  5.40311204E-2 -1.85636954E-5  2.89078596E-9-1.68070827E-13    2
  -7.86334831E4   -1.9318338E2   2.09319905E0  1.50718255E-1 -1.03321455E-4    3
  3.70082886E-8  -5.505136E-12  -6.36120922E4   3.51536853E1                   4
IC12KET1-5              H  24O   3C  12     G     300.0    5000.0  1391.0      1
   4.44326799E1  5.40311204E-2 -1.85636954E-5  2.89078596E-9-1.68070827E-13    2
  -7.86334831E4   -1.9318338E2   2.09319905E0  1.50718255E-1 -1.03321455E-4    3
  3.70082886E-8  -5.505136E-12  -6.36120922E4   3.51536853E1                   4
IC11H23CHO        -THERMH  24O   1C  12     G     300.0    5000.0  1398.0      1
   4.25646277E1  5.10731143E-2 -1.74825955E-5  2.71611835E-9-1.57674009E-13    2
  -6.90869837E4  -1.99527826E2  -6.10818995E0  1.68342953E-1  -1.2598176E-4    3
   4.8529773E-8-7.59129241E-12  -5.26323866E4   6.04555722E1                   4
YC7H15            -THERMH  15C   7          G     300.0    5000.0  1384.0      1
   2.04581471E1  3.43076361E-2 -1.18102635E-5  1.84129611E-9-1.07133806E-13    2
  -1.34978774E4  -8.18212264E1   1.30897106E0  6.96136442E-2 -3.31150057E-5    3
  5.82888256E-9 3.54427314E-14  -5.78512513E3   2.45658235E1                   4
PC7H15            -THERMH  15C   7          G     300.0    5000.0  1390.0      1
   2.33667406E1  3.07319555E-2 -1.03508107E-5  1.59137519E-9-9.17310563E-14    2
  -1.37695377E4  -9.96212012E1  -2.19681832E0  8.73134079E-2 -5.63690703E-5    3
  1.77635552E-8-2.12899352E-12  -4.67937082E3   3.86153467E1                   4
XC7H14                  H  14C   7          G     300.0    5000.0  1392.0      1
    2.1016403E1  3.15214597E-2 -1.08073947E-5  1.68040191E-9-9.75892313E-14    2
  -1.96515641E4  -8.63818785E1  -1.33081497E0  8.21082352E-2 -5.49123303E-5    3
  1.94284948E-8-2.88886542E-12  -1.16419975E4   3.43549746E1                   4
YC7H14                  H  14C   7          G     300.0    5000.0  1392.0      1
   2.05074323E1  3.19644167E-2 -1.09618778E-5  1.70463736E-9 -9.9003612E-14    2
    -2.083442E4  -8.39266561E1 -8.42232649E-1  7.89798297E-2 -5.04574475E-5    3
  1.68934048E-8-2.37201987E-12  -1.30370129E4   3.19096189E1                   4
OC7H14            -THERMH  14C   7          G     300.0    5000.0  1395.0      1
   2.24887015E1    2.967384E-2 -1.00479879E-5  1.54993215E-9-8.95338318E-14    2
  -2.23998822E4  -9.74394979E1     -3.31532E0  9.05539714E-2 -6.48360116E-5    3
  2.39274057E-8-3.58919418E-12  -1.35509173E4   4.08439338E1                   4
PC7H14            -THERMH  14C   7          G     300.0    5000.0  1398.0      1
   2.28180567E1  2.94777078E-2 -9.99646834E-6  1.54338994E-9-8.92080381E-14    2
  -2.15138751E4  -9.88510108E1  -3.81851414E0  9.39380534E-2 -6.99390936E-5    3
  2.69897745E-8-4.23959224E-12  -1.25406477E4   4.33207277E1                   4
YC7H13-Y2               H  13C   7          G     300.0    5000.0  1389.0      1
   1.96153468E1  3.07074105E-2 -1.05530468E-5  1.64345959E-9-9.55499728E-14    2
  -2.80380655E3  -8.09254914E1 -3.06783292E-1  7.20691145E-2 -4.20233916E-5    3
  1.20050088E-8-1.32605214E-12   4.70997623E3   2.80339431E1                   4
XC7H13-Y2               H  13C   7          G     300.0    5000.0  1384.0      1
   1.90334388E1  3.07312993E-2 -1.05503266E-5  1.64182432E-9-9.54035635E-14    2
   3.62307622E3  -7.21904286E1     2.756116E0  6.00861401E-2 -2.73082667E-5    3
  4.10488099E-9 2.37051604E-13   1.02484682E4   1.84800966E1                   4
OH*               121286H   1O   1          G     300.0    5000.0  1000.0      1
      2.88273E0   1.0139743E-3   -2.276877E-7   2.174683E-11  -5.126305E-16    2
       5.0265E4     5.595712E0     3.637266E0     1.85091E-4  -1.6761646E-6    3
    2.387202E-9  -8.431442E-13      5.00213E4    1.3588605E0                   4
CH*               073003H   1C   1          G     300.0    5000.0  1000.0      1
     2.196223E0    2.340381E-3   -7.058201E-7   9.007582E-11   -3.85504E-15    2
    1.0419559E5     9.178373E0     3.200202E0    2.072875E-3   -5.134431E-6    3
     5.73389E-9  -1.955533E-12    1.0393714E5     3.331587E0                   4
BC6H13            -THERMH  13C   6          G     300.0    5000.0  1381.0      1
   1.69842194E1  2.99437985E-2 -1.02829375E-5  1.60051599E-9-9.30152113E-14    2
  -8.09389237E3  -6.29779897E1   2.41481893E0  5.37101055E-2 -2.00895084E-5    3
 2.38811969E-10 1.01694001E-12  -1.90401203E3   1.90832462E1                   4
AC6H12            -THERMH  12C   6          G     300.0    5000.0  1391.0      1
   1.77919314E1  2.68882975E-2 -9.17597563E-6  1.42232776E-9-8.24250741E-14    2
  -1.59089099E4  -6.89733605E1  -5.1177517E-1  6.75515839E-2 -4.35931315E-5    3
  1.47174635E-8-2.07208823E-12   -9.2819628E3   3.01733384E1                   4
BC6H12            -THERMH  12C   6          G     300.0    5000.0  1389.0      1
   1.73194968E1  2.73143455E-2 -9.32825404E-6  1.44663699E-9-8.38619242E-14    2
  -1.72536853E4  -6.67708402E1  6.61236759E-3  6.41016647E-2 -3.85052017E-5    3
  1.17598218E-8-1.46218293E-12   -1.0802194E4   2.76294362E1                   4
HC6H13            -THERMH  13C   6          G     300.0    5000.0  1397.0      1
    2.0263424E1  2.67379786E-2 -9.08984494E-6  1.40565477E-9-8.13342971E-14    2
  -8.27920571E3  -8.48427815E1  -2.36606554E0  7.99561662E-2  -5.6880964E-5    3
  2.09107562E-8-3.13360357E-12  -4.88329998E2   3.65109585E1                   4
NEOC6H12                H  12C   6          G     300.0    5000.0  1398.0      1
     1.970129E1  2.49282969E-2 -8.43267154E-6  1.29989939E-9-7.50557893E-14    2
  -1.69324896E4  -8.35619319E1  -3.56898987E0  8.16665279E-2 -6.15853251E-5    3
  2.40142734E-8-3.80041411E-12  -9.14831349E3    4.0471101E1                   4
C4H6                    H   6C   4          G     300.0    5000.0  1388.0      1
   1.01064561E1  1.46248415E-2 -5.01373934E-6 7.79510645E-10-4.52675769E-14    2
   9.96133753E3  -2.97310638E1   1.01356056E0  3.35722771E-2 -1.96279376E-5    3
   5.7480385E-9-6.75029065E-13   1.33956759E4   1.99957382E1                   4
XC7H13O-Z         -THERMH  13O   1C   7     G     300.0    5000.0  1393.0      1
   2.44947643E1  2.76331607E-2 -9.27884306E-6  1.42378456E-9-8.19634936E-14    2
  -1.56065414E4  -1.01342872E2  -2.29755615E0   9.4206678E-2 -7.32881979E-5    3
  2.96623011E-8-4.88038965E-12  -6.75095244E3   4.10526275E1                   4
CC6H11-B          -THERMH  11C   6          G     300.0    5000.0  1381.0      1
    1.5346103E1  2.66654957E-2 -9.15202584E-6  1.42394531E-9-8.27311194E-14    2
    6.5817543E3  -5.26161906E1   2.54157024E0  4.74614479E-2 -1.75984466E-5    3
 1.18844602E-10 9.15595617E-13   1.20333815E4   1.95409169E1                   4
NEOC6H11                H  11C   6          G     300.0    5000.0  1397.0      1
   1.90679022E1  2.29697448E-2 -7.76782362E-6  1.19718933E-9-6.91168613E-14    2
   1.22301063E4  -7.79377125E1  -1.79052001E0  7.31749968E-2 -5.40628622E-5    3
  2.06333931E-8-3.19855898E-12   1.92749294E4   3.34750987E1                   4
C5H92O2-1         -THERMH   9O   2C   5     G     300.0    5000.0  1382.0      1
   1.73081531E1  2.28361563E-2 -7.91701528E-6  1.24017112E-9-7.23964243E-14    2
  -4.77473659E3  -6.09976106E1   3.26704287E0  5.11396085E-2 -2.90627615E-5    3
  8.29183575E-9-9.77238694E-13   6.87723123E2   1.62365492E1                   4
C5H91O2-3         -THERMH   9O   2C   5     G     300.0    5000.0  1391.0      1
    1.8670221E1  2.16216768E-2 -7.48512415E-6  1.17139079E-9-6.83358511E-14    2
  -5.94893165E3  -6.78134047E1  3.43181024E-1  6.76700566E-2 -5.38079915E-5    3
  2.31484493E-8  -4.140731E-12   2.25231466E2   2.96899952E1                   4
C5H91O2-4         -THERMH   9O   2C   5     G     300.0    5000.0  1391.0      1
   1.84021744E1  2.17923554E-2 -7.53113607E-6  1.17721317E-9-6.86192272E-14    2
  -6.36049709E3  -6.60160803E1  8.29161679E-1  6.49730353E-2 -4.98486874E-5    3
  2.07535028E-8-3.62109673E-12   -3.4870926E2   2.78111162E1                   4
C5H91O2-5         -THERMH   9O   2C   5     G     300.0    5000.0  1388.0      1
   1.77874223E1  2.23672091E-2 -7.74125889E-6  1.21125611E-9-7.06521652E-14    2
  -4.11946666E3  -6.30035459E1   1.45241685E0  6.01856302E-2 -4.23740334E-5    3
  1.62426968E-8-2.66522777E-12   1.71964569E3   2.50683944E1                   4
C5H92O2-4         -THERMH   9O   2C   5     G     300.0    5000.0  1386.0      1
   1.87422756E1  2.13380683E-2 -7.43357984E-6  1.16828688E-9-6.83588686E-14    2
  -7.54450706E3  -6.87582545E1  9.01375645E-1   6.3852813E-2 -4.77374522E-5    3
  1.92787152E-8-3.28774895E-12  -1.29733332E3   2.69893904E1                   4
C5H92O2-5         -THERMH   9O   2C   5     G     300.0    5000.0  1383.0      1
   1.78573852E1  2.20909964E-2 -7.69351743E-6  1.20887677E-9-7.07226905E-14    2
   -5.7164859E3  -6.32438068E1   2.01314892E0  5.63508696E-2 -3.62787502E-5    3
  1.23633332E-8-1.81156485E-12   1.96633604E2   2.30545262E1                   4
C5H81-4           -THERMH   8C   5          G     300.0    5000.0  1393.0      1
   1.35352242E1  1.85170786E-2 -6.26984814E-6 9.66983255E-10-5.58485033E-14    2
   6.00118884E3  -4.62552894E1  -1.64766327E0  5.54190112E-2 -4.12156069E-5    3
  1.62877209E-8-2.66483052E-12   1.11493804E4    3.4809447E1                   4
C5H82OOH5-4       -THERMH   9O   2C   5     G     300.0    5000.0  1386.0      1
   1.94018576E1  2.12205528E-2 -7.39842947E-6  1.16347432E-9-6.81095377E-14    2
  -5.23334287E3  -7.36138989E1  6.35397416E-1  6.41576696E-2 -4.53679801E-5    3
  1.67174432E-8-2.56598098E-12   1.43967333E3   2.76051099E1                   4
C5H82OOH4-5       -THERMH   9O   2C   5     G     300.0    5000.0  1390.0      1
   2.02523998E1  2.00480932E-2 -6.98766359E-6  1.09864079E-9-6.43037097E-14    2
  -1.44634187E2  -7.41677167E1  6.61394013E-1   6.8535193E-2 -5.44450677E-5    3
  2.28501169E-8-3.95647262E-12   6.46965092E3   3.02230223E1                   4
NC5D1KET34        -THERMH   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.14757522E1   1.9247275E-2 -6.76598303E-6  1.06986594E-9-6.28685877E-14    2
  -3.75872106E4   -8.0710937E1   1.82097767E0  6.74699547E-2 -5.38264037E-5    3
  2.27270486E-8-3.97590535E-12   -3.0874557E4    2.4229235E1                   4
NC5D1KET35        -THERMH   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.14757522E1   1.9247275E-2 -6.76598303E-6  1.06986594E-9-6.28685877E-14    2
  -3.75872106E4   -8.0710937E1   1.82097767E0  6.74699547E-2 -5.38264037E-5    3
  2.27270486E-8-3.97590535E-12   -3.0874557E4    2.4229235E1                   4
NC5D1KET43        -THERMH   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.14757522E1   1.9247275E-2 -6.76598303E-6  1.06986594E-9-6.28685877E-14    2
  -3.75872106E4   -8.0710937E1   1.82097767E0  6.74699547E-2 -5.38264037E-5    3
  2.27270486E-8-3.97590535E-12   -3.0874557E4    2.4229235E1                   4
NC5D1KET45        -THERMH   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.14757522E1   1.9247275E-2 -6.76598303E-6  1.06986594E-9-6.28685877E-14    2
  -3.75872106E4   -8.0710937E1   1.82097767E0  6.74699547E-2 -5.38264037E-5    3
  2.27270486E-8-3.97590535E-12   -3.0874557E4    2.4229235E1                   4
!
!
!
NC5D1KET53        -THERMH   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.14757522E1   1.9247275E-2 -6.76598303E-6  1.06986594E-9-6.28685877E-14    2
  -3.75872106E4   -8.0710937E1   1.82097767E0  6.74699547E-2 -5.38264037E-5    3
  2.27270486E-8-3.97590535E-12   -3.0874557E4    2.4229235E1                   4
NC5D1KET54        -THERMH   8O   3C   5     G     300.0    5000.0  1385.0      1
   2.14757522E1   1.9247275E-2 -6.76598303E-6  1.06986594E-9-6.28685877E-14    2
  -3.75872106E4   -8.0710937E1   1.82097767E0  6.74699547E-2 -5.38264037E-5    3
  2.27270486E-8-3.97590535E-12   -3.0874557E4    2.4229235E1                   4
NC5D2KET45        -THERMH   8O   3C   5     G     300.0    5000.0  1379.0      1
   2.09987749E1  1.97036451E-2 -6.93515196E-6  1.09752667E-9-6.45309266E-14    2
  -3.79899302E4  -7.93500933E1   3.71881929E0  5.80429795E-2  -3.9935113E-5    3
  1.44076499E-8-2.20489062E-12  -3.16671772E4   1.43761257E1                   4
NC5D2KET54        -THERMH   8O   3C   5     G     300.0    5000.0  1386.0      1
     2.162969E1  1.91055629E-2 -6.71524234E-6  1.06179912E-9-6.23944658E-14    2
  -3.53019453E4   -8.0765122E1   1.61871337E0  6.65051584E-2 -5.04588167E-5    3
  1.98352113E-8-3.21601142E-12    -2.836512E4   2.65655885E1                   4
C6H101-3                H  10C   6          G     300.0    5000.0  1396.0      1
   1.72274136E1  2.28968868E-2  -7.8417692E-6  1.21837034E-9-7.07190802E-14    2
   -1.6497853E3  -6.63069861E1  -2.38507596E0  7.30622234E-2 -5.86808335E-5    3
  2.52424911E-8  -4.468201E-12   4.80385112E3    3.7610446E1                   4
C6H101-4                H  10C   6          G     300.0    5000.0  1396.0      1
   1.72274136E1  2.28968868E-2  -7.8417692E-6  1.21837034E-9-7.07190802E-14    2
   -1.6497853E3  -6.63069861E1  -2.38507596E0  7.30622234E-2 -5.86808335E-5    3
  2.52424911E-8  -4.468201E-12   4.80385112E3    3.7610446E1                   4
C6H102-4                H  10C   6          G     300.0    5000.0  1396.0      1
   1.72274136E1  2.28968868E-2  -7.8417692E-6  1.21837034E-9-7.07190802E-14    2
   -1.6497853E3  -6.63069861E1  -2.38507596E0  7.30622234E-2 -5.86808335E-5    3
  2.52424911E-8  -4.468201E-12   4.80385112E3    3.7610446E1                   4
C4H7CHO1-4        -THERMH   8O   1C   5     G     300.0    5000.0  1379.0      1
    1.5929973E1  1.84432887E-2 -6.21997362E-6 9.57537306E-10-5.52580126E-14    2
  -1.98311071E4  -5.51771737E1   1.30688261E0  5.07911858E-2  -3.3150998E-5    3
  1.10391295E-8-1.49578391E-12  -1.45595753E4   2.40234219E1                   4
C6H111O2H-4             H  12O   2C   6     G     300.0    5000.0  1392.0      1
   2.41598315E1  2.64141743E-2 -9.16604821E-6  1.43689654E-9-8.39293545E-14    2
  -2.84539273E4  -9.67105334E1 -6.71334306E-1  8.72726302E-2 -6.78106371E-5    3
  2.77977889E-8 -4.7053663E-12  -2.00372603E4    3.5768962E1                   4
C6H111O2H-5             H  12O   2C   6     G     300.0    5000.0  1392.0      1
   2.41598315E1  2.64141743E-2 -9.16604821E-6  1.43689654E-9-8.39293545E-14    2
  -2.84539273E4  -9.67105334E1 -6.71334306E-1  8.72726302E-2 -6.78106371E-5    3
  2.77977889E-8 -4.7053663E-12  -2.00372603E4    3.5768962E1                   4
C6H111O2H-6             H  12O   2C   6     G     300.0    5000.0  1389.0      1
    2.3400857E1  2.70661621E-2 -9.39242872E-6  1.47237442E-9-8.60004431E-14    2
  -2.61302043E4   -9.1421969E1  3.11486807E-1   8.1013514E-2  -5.8504294E-5    3
   2.2295445E-8-3.54988216E-12  -1.80250145E4   3.27265962E1                   4
C6H112O2H-5             H  12O   2C   6     G     300.0    5000.0  1390.0      1
   2.36804698E1  2.68319366E-2 -9.31237637E-6  1.45995807E-9-8.52807436E-14    2
   -2.9789397E4  -9.44537469E1 -9.77786271E-2  8.36152385E-2 -6.24511953E-5    3
  2.46774273E-8-4.05915948E-12  -2.15666972E4   3.29610143E1                   4
C6H112O2H-6             H  12O   2C   6     G     300.0    5000.0  1388.0      1
   2.29488499E1   2.7443868E-2 -9.52133333E-6  1.49235013E-9-8.71576434E-14    2
  -2.74756907E4  -8.93200393E1  8.02060614E-1  7.77041021E-2 -5.36127485E-5    3
  1.94323872E-8-2.95453196E-12  -1.95415277E4   3.03063194E1                   4
C6H113O2H-2             H  12O   2C   6     G     300.0    5000.0  1391.0      1
   2.39772718E1  2.66035589E-2 -9.23895225E-6  1.44906345E-9 -8.4669575E-14    2
  -2.92031812E4  -9.62904636E1   -1.2673975E0  8.91469732E-2 -7.04153407E-5    3
  2.94208766E-8-5.07121703E-12  -2.06975087E4    3.8183967E1                   4
C6H112O2H-4             H  12O   2C   6     G     300.0    5000.0  1390.0      1
   2.38605691E1  2.67263131E-2  -9.2863431E-6  1.45697133E-9-8.51501903E-14    2
  -2.93238663E4  -9.57046301E1 -7.53695219E-1  8.73573674E-2 -6.83958497E-5    3
  2.84775641E-8-4.91362774E-12  -2.09736202E4   3.55730105E1                   4
C6H113O2H-1             H  12O   2C   6     G     300.0    5000.0  1387.0      1
   2.36308952E1   2.6661705E-2 -9.30222928E-6   1.4635592E-9-8.57041772E-14    2
  -2.76274166E4  -9.32063164E1 -1.31133949E-1  8.13310493E-2 -5.80494135E-5    3
  2.16450938E-8-3.36477854E-12  -1.92042452E4   3.48562905E1                   4
C4H7CHO1-1        -THERMH   8O   1C   5     G     300.0    5000.0  1393.0      1
    1.6514781E1  1.86176385E-2 -6.41423546E-6  1.00074444E-9-5.82623258E-14    2
  -2.45132738E4  -6.08626797E1 -8.96311479E-1   6.1663993E-2 -4.81456435E-5    3
  1.98018086E-8-3.35010063E-12  -1.86685108E4   3.18639054E1                   4
C4H7OOH1-4        -THERMH   8O   2C   4     G     300.0    5000.0  1393.0      1
   1.66978343E1  1.80578399E-2 -6.22476839E-6 9.71479434E-10-5.65686551E-14    2
   -1.8534472E4  -5.76609547E1    1.7980467E0  5.23302551E-2 -3.64638246E-5    3
  1.31971888E-8-1.97165993E-12  -1.32846748E4   2.25862038E1                   4
C5H9OOH1-5        -THERMH  10O   2C   5     G     300.0    5000.0  1393.0      1
   1.98575596E1  2.25572969E-2 -7.76951451E-6  1.21189491E-9-7.05404248E-14    2
  -2.26275637E4  -7.31968346E1   1.65166493E0  6.41855434E-2 -4.42152137E-5    3
  1.58117718E-8-2.33469388E-12  -1.61856012E4   2.49485316E1                   4
C5H9OOH1-4        -THERMH  10O   2C   5     G     300.0    5000.0  1397.0      1
    2.0217995E1  2.21511744E-2 -7.60711244E-6  1.18420679E-9-6.88331594E-14    2
  -2.44297406E4  -7.58287543E1   7.6778233E-1  6.93519317E-2 -5.21650213E-5    3
  2.06237355E-8-3.35844189E-12  -1.78318101E4   2.80373555E1                   4
C6H11OOH1-5       7-THRMH  12O   2C   6     G     300.0    5000.0  1397.0      1
    2.3387923E1  2.66182814E-2 -9.13553672E-6    1.421543E-9-8.26043195E-14    2
  -2.85211117E4  -9.14098376E1  6.08693415E-1  8.12533376E-2 -5.99544347E-5    3
  2.32306975E-8-3.71302106E-12  -2.07306507E4   3.04600742E1                   4
C6H11OOH1-4       7-THRMH  12O   2C   6     G     300.0    5000.0  1397.0      1
    2.3387923E1  2.66182814E-2 -9.13553672E-6    1.421543E-9-8.26043195E-14    2
  -2.85211117E4  -9.14098376E1  6.08693415E-1  8.12533376E-2 -5.99544347E-5    3
  2.32306975E-8-3.71302106E-12  -2.07306507E4   3.04600742E1                   4
C3H6COC2H5-1      96-TRMH  11O   1C   6     G     300.0    5000.0  1380.0      1
   1.92391148E1  2.51659147E-2 -8.57508083E-6  1.32847255E-9-7.69774808E-14    2
   -1.8540489E4  -7.00617026E1   2.08958703E0  6.24878115E-2 -3.97257078E-5    3
  1.33752941E-8-1.92193795E-12  -1.21992557E4   2.32035207E1                   4
NC3H7COC2H4P      96-TRMH  11O   1C   6     G     300.0    5000.0  1380.0      1
   1.92391148E1  2.51659147E-2 -8.57508083E-6  1.32847255E-9-7.69774808E-14    2
   -1.8540489E4  -7.00617026E1   2.08958703E0  6.24878115E-2 -3.97257078E-5    3
  1.33752941E-8-1.92193795E-12  -1.21992557E4   2.32035207E1                   4
C7H14OH-1         -THERMH  15O   1C   7     G     300.0    5000.0  1376.0      1
   2.41265675E1  3.16637088E-2 -1.05671043E-5  1.61536314E-9-9.27674815E-14    2
  -2.95485867E4  -9.42377369E1  4.58848577E-1  8.04446771E-2 -4.57034176E-5    3
  1.14685073E-8-8.17742081E-13  -2.07641264E4   3.50408521E1                   4
O2C7H14OH-1       9-THRMH  15O   3C   7     G     300.0    5000.0  1395.0      1
   2.69431812E1  3.51661203E-2 -1.20111248E-5  1.86268617E-9-1.07974911E-13    2
  -4.90880404E4  -1.05078319E2   2.34060326E0  9.23428863E-2 -6.37138459E-5    3
  2.36026902E-8-3.68902757E-12  -4.04140401E4   2.73239434E1                   4
C7H14OH-2         -THERMH  15O   1C   7     G     300.0    5000.0  1390.0      1
   2.38036547E1  3.25612587E-2 -1.09916297E-5  1.69186772E-9-9.75842145E-14    2
  -3.14956023E4   -9.2635459E1 -6.17451781E-2  8.52264839E-2 -5.42481745E-5    3
  1.73728776E-8-2.20758857E-12  -2.29210338E4   3.65945984E1                   4
O2C7H14OH-2       9-THRMH  15O   3C   7     G     300.0    5000.0  1396.0      1
   2.78711248E1  3.44298705E-2 -1.17690678E-5  1.82617826E-9-1.05901891E-13    2
  -5.15690694E4  -1.10657303E2   1.43173891E0  9.81681859E-2   -7.192593E-5    3
  2.82501348E-8-4.63278447E-12  -4.25022305E4   3.07742185E1                   4
C7H14OH-3         -THERMH  15O   1C   7     G     300.0    5000.0  1390.0      1
   2.38036547E1  3.25612587E-2 -1.09916297E-5  1.69186772E-9-9.75842145E-14    2
  -3.14956023E4   -9.2635459E1 -6.17451781E-2  8.52264839E-2 -5.42481745E-5    3
  1.73728776E-8-2.20758857E-12  -2.29210338E4   3.65945984E1                   4
O2C7H14OH-3       9-THRMH  15O   3C   7     G     300.0    5000.0  1396.0      1
   2.78711248E1  3.44298705E-2 -1.17690678E-5  1.82617826E-9-1.05901891E-13    2
  -5.15690694E4  -1.10657303E2   1.43173891E0  9.81681859E-2   -7.192593E-5    3
  2.82501348E-8-4.63278447E-12  -4.25022305E4   3.07742185E1                   4
C5H10CHO-1        -THERMH  11O   1C   6     G     300.0    5000.0  1383.0      1
   1.94701427E1  2.50490154E-2 -8.54838759E-6  1.32543025E-9 -7.6836909E-14    2
  -1.46878327E4  -7.09736169E1   2.15377345E0  6.19684203E-2 -3.78904723E-5    3
  1.17022892E-8-1.46276094E-12  -8.26278569E3   2.33779159E1                   4
C5H10CHO-2        -THERMH  11O   1C   6     G     300.0    5000.0  1371.0      1
   2.01227062E1  2.38797102E-2 -8.02929509E-6  1.23389172E-9-7.11284276E-14    2
  -1.74161761E4  -7.48168825E1  4.16999842E-1  6.37354262E-2 -3.53661717E-5    3
  7.90793428E-9-2.83991537E-13  -1.00633239E4   3.30278698E1                   4
C5H10CHO-3        -THERMH  11O   1C   6     G     300.0    5000.0  1371.0      1
   2.01227062E1  2.38797102E-2 -8.02929509E-6  1.23389172E-9-7.11284276E-14    2
  -1.74161761E4  -7.48168825E1  4.16999842E-1  6.37354262E-2 -3.53661717E-5    3
  7.90793428E-9-2.83991537E-13  -1.00633239E4   3.30278698E1                   4
C5H10CHO-4        -THERMH  11O   1C   6     G     300.0    5000.0  1371.0      1
   2.01227062E1  2.38797102E-2 -8.02929509E-6  1.23389172E-9-7.11284276E-14    2
  -1.74161761E4  -7.48168825E1  4.16999842E-1  6.37354262E-2 -3.53661717E-5    3
  7.90793428E-9-2.83991537E-13  -1.00633239E4   3.30278698E1                   4
C5H10CHO-5        -THERMH  11O   1C   6     G     300.0    5000.0  1395.0      1
   2.02669246E1  2.47914857E-2 -8.54953747E-6  1.33477274E-9-7.77453379E-14    2
  -2.07889535E4  -7.93060747E1  -1.26556708E0  7.36551339E-2 -5.04263913E-5    3
  1.74734247E-8-2.44116609E-12  -1.31838221E4   3.68187516E1                   4
C4H6CHO1-43       6-THRMH   7O   1C   5     G     300.0    5000.0  1382.0      1
   1.54178855E1  1.71672536E-2 -5.95214751E-6 9.32713368E-10-5.44705237E-14    2
  -2.75958461E3  -5.37764772E1   1.13728412E0  4.85677415E-2 -3.21395914E-5    3
  1.08714802E-8-1.51624448E-12   2.44080824E3   2.36917499E1                   4
C4H6CHO1-44       6-THRMH   7O   1C   5     G     300.0    5000.0  1390.0      1
   1.54721595E1  1.70164879E-2 -5.87513255E-6 9.17941359E-10-5.34945363E-14    2
   4.99122207E2  -5.31445505E1  7.50037894E-1  5.14805714E-2 -3.71071056E-5    3
  1.40009579E-8-2.19006703E-12   5.63542979E3   2.59488465E1                   4
C4H8COCH3-1       6-THRMH  11O   1C   6     G     300.0    5000.0  1384.0      1
   1.89006813E1  2.59288818E-2 -8.93525037E-6   1.3941639E-9-8.11664734E-14    2
  -1.83595544E4   -6.8598807E1   1.83079991E0  6.16869509E-2 -3.69733811E-5    3
  1.12792095E-8-1.42170745E-12  -1.19106373E4   2.47213709E1                   4
C4H8COCH3-2       6-THRMH  11O   1C   6     G     300.0    5000.0  1365.0      1
    1.9247241E1  2.47394219E-2  -8.3491748E-6  1.28606717E-9-7.42515416E-14    2
  -1.98964461E4  -7.00732125E1   2.32442247E0  5.60360489E-2 -2.62897892E-5    3
  3.55349257E-9 4.62560403E-13  -1.32203258E4   2.36967419E1                   4
C4H8COCH3-3       6-THRMH  11O   1C   6     G     300.0    5000.0  1365.0      1
    1.9247241E1  2.47394219E-2  -8.3491748E-6  1.28606717E-9-7.42515416E-14    2
  -1.98964461E4  -7.00732125E1   2.32442247E0  5.60360489E-2 -2.62897892E-5    3
  3.55349257E-9 4.62560403E-13  -1.32203258E4   2.36967419E1                   4
C4H8COCH3-4       6-THRMH  11O   1C   6     G     300.0    5000.0  1387.0      1
   1.94544114E1  2.56278187E-2 -8.86916402E-6  1.38780777E-9-8.09574343E-14    2
  -2.33097365E4    -7.495782E1  4.64936924E-1  6.68009275E-2 -4.26203243E-5    3
  1.39372398E-8-1.88407814E-12  -1.63159454E4   2.82932537E1                   4
C5H9O1-4          -THERMH   9O   1C   5     G     300.0    5000.0  1398.0      1
   1.66809382E1  2.07591828E-2 -7.09289768E-6  1.10031617E-9-6.37992567E-14    2
  -4.67568455E3  -5.95056483E1 -8.53018802E-1  6.41880432E-2 -4.91931508E-5    3
  2.00188214E-8-3.35963237E-12   1.19509504E3   3.38333616E1                   4
C6H11O1-4         -THERMH  11O   1C   6     G     300.0    5000.0  1397.0      1
   1.99304018E1  2.50878998E-2 -8.55881248E-6  1.32642733E-9 -7.6859633E-14    2
  -8.79248519E3  -7.55242129E1  -1.17611678E0  7.67820021E-2 -5.79189808E-5    3
   2.3128351E-8-3.81018248E-12  -1.67830272E3   3.70214234E1                   4
C6H11O1-5         -THERMH  11O   1C   6     G     300.0    5000.0  1397.0      1
   1.99304018E1  2.50878998E-2 -8.55881248E-6  1.32642733E-9 -7.6859633E-14    2
  -8.79248519E3  -7.55242129E1  -1.17611678E0  7.67820021E-2 -5.79189808E-5    3
   2.3128351E-8-3.81018248E-12  -1.67830272E3   3.70214234E1                   4
C4H7CO1-1         -THERMH   7O   1C   5     G     300.0    5000.0  1394.0      1
   1.59313061E1  1.65161742E-2 -5.67719248E-6 8.84327967E-10-5.14250392E-14    2
  -8.36367262E3  -5.69425937E1   4.6143037E-1  5.62940371E-2 -4.61644186E-5    3
  2.00772412E-8-3.57227308E-12  -3.30150514E3   2.49394919E1                   4
C4H6CHO1-14       96-TRMH   7O   1C   5     G     300.0    5000.0  1393.0      1
   1.60679011E1  1.65205734E-2 -5.70629506E-6  8.9181915E-10-5.19829213E-14    2
   5.61658536E2  -5.56047479E1 -9.37897914E-2  5.69789312E-2 -4.55153233E-5    3
  1.91029934E-8-3.28540832E-12    5.9388574E3   3.02936035E1                   4
C4H6CHO1-13       96-TRMH   7O   1C   5     G     300.0    5000.0  1388.0      1
   1.65957737E1  1.64087623E-2 -5.74432894E-6 9.05904509E-10 -5.3138143E-14    2
  -7.68324332E3  -6.28091961E1 -8.68106067E-1  5.81156028E-2 -4.44075851E-5    3
  1.74858999E-8-2.82132259E-12  -1.68831658E3   3.06969623E1                   4
C3H6COC2H5-2      96-TRMH  11O   1C   6     G     300.0    5000.0  1369.0      1
   1.91083648E1  2.49004438E-2 -8.41246692E-6  1.29661383E-9-7.48882792E-14    2
   -1.9933427E4   -6.8956539E1   2.83974334E0  5.59471569E-2 -2.81954889E-5    3
  5.56103221E-9-1.03163981E-13  -1.35531569E4   2.09458274E1                   4
C3H6COC2H5-3      96-TRMH  11O   1C   6     G     300.0    5000.0  1386.0      1
   1.93409644E1   2.5692709E-2 -8.88365538E-6  1.38917272E-9-8.09982255E-14    2
  -2.33416177E4  -7.39480531E1  8.23830406E-1  6.74626897E-2 -4.57147359E-5    3
  1.66707586E-8 -2.6041674E-12  -1.66263615E4   2.62565174E1                   4
NC3H7COC2H4S      96-TRMH  11O   1C   6     G     300.0    5000.0  1386.0      1
   1.93409644E1   2.5692709E-2 -8.88365538E-6  1.38917272E-9-8.09982255E-14    2
  -2.33416177E4  -7.39480531E1  8.23830406E-1  6.74626897E-2 -4.57147359E-5    3
  1.66707586E-8 -2.6041674E-12  -1.66263615E4   2.62565174E1                   4
XC7H15            -THERMH  15C   7          G     300.0    5000.0  1391.0      1
   2.18442431E1  3.30970511E-2 -1.13855507E-5  1.77428049E-9-1.03203205E-13    2
  -1.16221052E4  -8.98480981E1  -1.48792779E0   8.4793503E-2 -5.51477546E-5    3
  1.87561345E-8-2.66966132E-12  -3.14049112E3   3.66194993E1                   4
C7H16-24          -THERMH  16C   7          G     300.0    5000.0  1391.0      1
   2.22587834E1  3.52460342E-2 -1.21165333E-5  1.88731524E-9-1.09741951E-13    2
  -3.66865565E4  -9.49273295E1  -2.25657881E0  8.93437536E-2 -5.76290654E-5    3
  1.93991731E-8-2.72881106E-12  -2.77531748E4   3.80308727E1                   4
ZC7H15            -THERMH  15C   7          G     300.0    5000.0  1388.0      1
   2.14125023E1  3.31721888E-2 -1.13499859E-5  1.76256438E-9-1.02279053E-13    2
  -1.28665096E4  -8.69738045E1  -1.20411785E0  8.05601821E-2 -4.75710195E-5    3
  1.36213268E-8-1.47301903E-12  -4.42797757E3   3.64892374E1                   4
NC7H15            -THERMH  15C   7          G     300.0    5000.0  1397.0      1
   2.35128171E1   3.1037154E-2 -1.05393955E-5  1.62859656E-9-9.41860827E-14    2
  -1.23839746E4   -9.9735496E1  -2.68778642E0  9.26426584E-2  -6.5833547E-5    3
  2.41758097E-8-3.61820834E-12  -3.36453908E3   4.07694885E1                   4
NEOC7H16          -THERMH  16C   7          G     300.0    5000.0  1397.0      1
   2.39323172E1  3.31782362E-2 -1.12668494E-5  1.74099807E-9-1.00684665E-13    2
  -3.74498789E4  -1.05938832E2  -3.45771037E0  9.72014646E-2 -6.83249164E-5    3
  2.48220102E-8-3.67746004E-12  -2.79771408E4   4.10888515E1                   4
OC7H15            -THERMH  15C   7          G     300.0    5000.0  1390.0      1
   2.33667406E1  3.07319555E-2 -1.03508107E-5  1.59137519E-9-9.17310563E-14    2
  -1.37695377E4  -9.96212012E1  -2.19681832E0  8.73134079E-2 -5.63690703E-5    3
  1.77635552E-8-2.12899352E-12  -4.67937082E3   3.86153467E1                   4
QC7H15            -THERMH  15C   7          G     300.0    5000.0  1397.0      1
   2.35128171E1   3.1037154E-2 -1.05393955E-5  1.62859656E-9-9.41860827E-14    2
  -1.23839746E4  -1.00832627E2  -2.68778642E0  9.26426584E-2  -6.5833547E-5    3
  2.41758097E-8-3.61820834E-12  -3.36453908E3   3.96723571E1                   4
AC6H11-D          -THERMH  11C   6          G     300.0    5000.0  1382.0      1
   1.71796835E1  2.44946059E-2 -8.27862597E-6  1.27550777E-9-7.36249381E-14    2
     7.799108E3   -6.2375167E1  6.93336063E-1  5.79431818E-2 -3.20806649E-5    3
  7.93413671E-9-5.82122675E-13   1.40234096E4   2.79516628E1                   4
AC6H11-E          -THERMH  11C   6          G     300.0    5000.0  1391.0      1
   1.73660563E1  2.47543194E-2 -8.45119156E-6  1.31035396E-9-7.59514758E-14    2
   9.16086456E3  -6.38235508E1  2.49943006E-1  6.30361731E-2  -4.1172503E-5    3
  1.41157447E-8-2.02238094E-12   1.53316983E4   2.87984616E1                   4
AC6H11-A2         -THERMH  11C   6          G     300.0    5000.0  1395.0      1
   1.82026718E1  2.44812048E-2 -8.35996384E-6  1.29643763E-9 -7.5154695E-14    2
   2.33876532E3  -7.13491902E1  -1.47932805E0  7.22802333E-2 -5.37942381E-5    3
  2.13741487E-8-3.53072969E-12   9.04209177E3   3.37929715E1                   4
C4H7CO2-2         -THERMH   7O   1C   5     G     300.0    5000.0  1374.0      1
   1.80523043E1  1.55168113E-2 -5.51619574E-6 8.78829645E-10-5.19148464E-14    2
  -1.22598579E4  -6.05879823E1    1.7803327E0  5.05901427E-2 -3.38410622E-5    3
   1.1146205E-8-1.47665417E-12   -6.2712273E3     2.792282E1                   4
C4H7CO1-2         -THERMH   7O   1C   5     G     300.0    5000.0  1397.0      1
   1.64651768E1  1.59062251E-2 -5.43230323E-6 8.42521096E-10 -4.8846157E-14    2
  -7.98516509E3  -6.03394256E1  5.78897418E-1  5.84282121E-2 -5.03642354E-5    3
  2.27849982E-8-4.15814487E-12  -2.97157417E3   2.31234279E1                   4
C4H7CO2-1         -THERMH   7O   1C   5     G     300.0    5000.0  1387.0      1
   1.46069636E1  1.77278548E-2 -6.11539466E-6 9.54916411E-10-5.56262722E-14    2
  -1.59318351E3   -4.6940298E1   1.19183326E0  4.66489693E-2 -2.93898842E-5    3
  9.28937321E-9-1.18024785E-12   3.33903076E3   2.60182626E1                   4
NEOC5H11CO        -THERMH  11O   1C   6     G     300.0    5000.0  1389.0      1
   2.14212795E1  2.30660325E-2 -7.80141198E-6    1.202977E-9-6.94913508E-14    2
  -2.40435967E4   -8.6672658E1 -7.52080307E-2  7.36039955E-2 -5.30639735E-5    3
  1.95915376E-8 -2.9313773E-12   -1.6657519E4   2.85861268E1                   4
IC4H9CHO          -THERMH  10O   1C   5     G     300.0    5000.0  1383.0      1
   1.70194059E1  2.23541546E-2 -7.59760895E-6  1.17496754E-9-6.79975164E-14    2
  -3.69143302E4  -6.35871575E1  8.61033163E-1  5.73441683E-2 -3.59178644E-5    3
  1.13951893E-8-1.46205706E-12  -3.09951354E4   2.42264151E1                   4
IC3H5COC2H5       6-THRMH  10O   1C   6     G     300.0    5000.0  1388.0      1
   1.87507788E1  2.39971118E-2  -8.2816846E-6   1.2933662E-9 -7.5343088E-14    2
  -3.06311914E4  -7.17081859E1  9.32448574E-1  6.57899872E-2 -4.70608871E-5    3
  1.83043778E-8-3.03065842E-12  -2.43309438E4   2.41443648E1                   4
PC7H13O-O         -THERMH  13O   1C   7     G     300.0    5000.0  1398.0      1
    2.7066502E1  2.54409611E-2 -8.53248547E-6  1.30919024E-9-7.53950497E-14    2
  -1.64143986E4  -1.18716143E2  -4.66019213E0  1.04558207E-1 -8.37076856E-5    3
  3.35735802E-8-5.34053845E-12  -6.09495634E3   4.95722813E1                   4
CY3C5H8O          -THERMH   8O   1C   5     G     300.0    5000.0  1402.0      1
   1.67912845E1  1.86881223E-2 -6.41180595E-6 9.97554346E-10-5.79620662E-14    2
  -1.05005341E4  -6.49852651E1  -4.02699181E0  7.41038879E-2 -6.41370347E-5    3
  2.86307024E-8-5.12072635E-12  -3.95617677E3   4.44028774E1                   4
C5H82OOH4-5O2     -THERMH   9O   4C   5     G     300.0    5000.0  1385.0      1
   2.47038351E1  2.08612744E-2 -7.34831615E-6  1.16354536E-9-6.84394748E-14    2
  -1.96566109E4  -9.45061735E1   2.01349275E0  7.72630274E-2 -6.31038478E-5    3
  2.70928041E-8 -4.7867663E-12   -1.1993207E4   2.63607326E1                   4
C5H82OOH5-4O2     -THERMH   9O   4C   5     G     300.0    5000.0  1385.0      1
   2.47038351E1  2.08612744E-2 -7.34831615E-6  1.16354536E-9-6.84394748E-14    2
  -1.96566109E4  -9.45061735E1   2.01349275E0  7.72630274E-2 -6.31038478E-5    3
  2.70928041E-8 -4.7867663E-12   -1.1993207E4   2.63607326E1                   4
NC7KET12          -THERMH  14O   3C   7     G     300.0    5000.0  1387.0      1
    3.1403986E1  2.85485198E-2 -9.69585695E-6  1.50017009E-9-8.68909491E-14    2
  -5.74044717E4  -1.31576613E2   -1.0124054E0   1.0852521E-1 -8.59990884E-5    3
  3.49272961E-8 -5.7378985E-12  -4.66314955E4   4.09175088E1                   4
NC7KET13          -THERMH  14O   3C   7     G     300.0    5000.0  1388.0      1
   2.90744507E1  3.17177458E-2 -1.10262646E-5  1.73053608E-9-1.01161699E-13    2
  -5.82345477E4  -1.18064324E2   2.21629328E0  9.47373762E-2 -6.90473651E-5    3
    2.678204E-8-4.36392181E-12   -4.8796551E4   2.63157133E1                   4
NC7KET14          -THERMH  14O   3C   7     G     300.0    5000.0  1388.0      1
   2.90744507E1  3.17177458E-2 -1.10262646E-5  1.73053608E-9-1.01161699E-13    2
  -5.82345477E4  -1.18064324E2   2.21629328E0  9.47373762E-2 -6.90473651E-5    3
    2.678204E-8-4.36392181E-12   -4.8796551E4   2.63157133E1                   4
NC7KET15          -THERMH  14O   3C   7     G     300.0    5000.0  1388.0      1
   2.90744507E1  3.17177458E-2 -1.10262646E-5  1.73053608E-9-1.01161699E-13    2
  -5.82345477E4  -1.18064324E2   2.21629328E0  9.47373762E-2 -6.90473651E-5    3
    2.678204E-8-4.36392181E-12   -4.8796551E4   2.63157133E1                   4
NC7KET21          -THERMH  14O   3C   7     G     300.0    5000.0  1385.0      1
   3.07082732E1  2.92465419E-2 -9.95807579E-6  1.54315782E-9 -8.9471815E-14    2
  -5.87615592E4  -1.27058904E2 -9.64230115E-1  1.08158991E-1 -8.67775775E-5    3
  3.61807459E-8-6.14661796E-12  -4.82404885E4   4.13251144E1                   4
NC7KET23          -THERMH  14O   3C   7     G     300.0    5000.0  1388.0      1
   3.05981614E1  2.97258855E-2 -1.01972578E-5  1.58732411E-9-9.22942417E-14    2
   -6.0963892E4  -1.27837876E2  -1.45570671E0  1.08772384E-1 -8.59757426E-5    3
  3.51095315E-8-5.83436499E-12   -5.0260203E4   4.28185431E1                   4
NC7KET24          -THERMH  14O   3C   7     G     300.0    5000.0  1387.0      1
   2.88330388E1  3.20168096E-2 -1.11508456E-5  1.75226159E-9-1.02520451E-13    2
  -6.20142474E4  -1.17499704E2   1.52936692E0  9.58173466E-2  -6.9668852E-5    3
  2.69540382E-8-4.38728126E-12  -5.23839542E4   2.93851334E1                   4
NC7KET25          -THERMH  14O   3C   7     G     300.0    5000.0  1387.0      1
   2.88330388E1  3.20168096E-2 -1.11508456E-5  1.75226159E-9-1.02520451E-13    2
  -6.20142474E4  -1.17499704E2   1.52936692E0  9.58173466E-2  -6.9668852E-5    3
  2.69540382E-8-4.38728126E-12  -5.23839542E4   2.93851334E1                   4
NC7KET26          -THERMH  14O   3C   7     G     300.0    5000.0  1387.0      1
   2.88330388E1  3.20168096E-2 -1.11508456E-5  1.75226159E-9-1.02520451E-13    2
  -6.20142474E4  -1.17499704E2   1.52936692E0  9.58173466E-2  -6.9668852E-5    3
  2.69540382E-8-4.38728126E-12  -5.23839542E4   2.93851334E1                   4
NC7KET31          -THERMH  14O   3C   7     G     300.0    5000.0  1384.0      1
   2.80739929E1  3.26743194E-2 -1.13798765E-5   1.7881929E-9-1.04618326E-13    2
  -5.95401535E4  -1.12628648E2   2.77522939E0  9.05308437E-2 -6.36476024E-5    3
  2.42107778E-8-3.94769763E-12  -5.04144221E4   2.40464052E1                   4
NC7KET32          -THERMH  14O   3C   7     G     300.0    5000.0  1385.0      1
   3.09165578E1  2.91258044E-2 -9.92861588E-6  1.53981152E-9-8.93271341E-14    2
  -6.11708347E4  -1.29264593E2 -9.94514343E-1    1.087621E-1  -8.7613774E-5    3
  3.66478182E-8-6.24244946E-12  -5.05819016E4   4.03445313E1                   4
NC7KET34          -THERMH  14O   3C   7     G     300.0    5000.0  1385.0      1
   3.09165578E1  2.91258044E-2 -9.92861588E-6  1.53981152E-9-8.93271341E-14    2
  -6.11708347E4  -1.29264593E2 -9.94514343E-1    1.087621E-1  -8.7613774E-5    3
  3.66478182E-8-6.24244946E-12  -5.05819016E4   4.03445313E1                   4
NC7KET35          -THERMH  14O   3C   7     G     300.0    5000.0  1387.0      1
   2.88330388E1  3.20168096E-2 -1.11508456E-5  1.75226159E-9-1.02520451E-13    2
  -6.20142474E4  -1.17499704E2   1.52936692E0  9.58173466E-2  -6.9668852E-5    3
  2.69540382E-8-4.38728126E-12  -5.23839542E4   2.93851334E1                   4
NC7KET36          -THERMH  14O   3C   7     G     300.0    5000.0  1387.0      1
   2.88330388E1  3.20168096E-2 -1.11508456E-5  1.75226159E-9-1.02520451E-13    2
  -6.20142474E4  -1.17499704E2   1.52936692E0  9.58173466E-2  -6.9668852E-5    3
  2.69540382E-8-4.38728126E-12  -5.23839542E4   2.93851334E1                   4
NC7KET37          -THERMH  14O   3C   7     G     300.0    5000.0  1384.0      1
   2.80739929E1  3.26743194E-2 -1.13798765E-5   1.7881929E-9-1.04618326E-13    2
  -5.95401535E4  -1.12628648E2   2.77522939E0  9.05308437E-2 -6.36476024E-5    3
  2.42107778E-8-3.94769763E-12  -5.04144221E4   2.40464052E1                   4
NC7KET41          -THERMH  14O   3C   7     G     300.0    5000.0  1384.0      1
   2.80739929E1  3.26743194E-2 -1.13798765E-5   1.7881929E-9-1.04618326E-13    2
  -5.95401535E4  -1.12628648E2   2.77522939E0  9.05308437E-2 -6.36476024E-5    3
  2.42107778E-8-3.94769763E-12  -5.04144221E4   2.40464052E1                   4
NC7KET42          -THERMH  14O   3C   7     G     300.0    5000.0  1386.0      1
   2.86572867E1  3.21567908E-2  -1.1196157E-5     1.75895E-9 -1.0289196E-13    2
  -6.20252988E4  -1.16135256E2   2.32269738E0  9.45160149E-2 -6.99057179E-5    3
  2.79772916E-8-4.74244431E-12   -5.2758683E4   2.53458269E1                   4
NC7KET43          -THERMH  14O   3C   7     G     300.0    5000.0  1386.0      1
   2.86572867E1  3.21567908E-2  -1.1196157E-5     1.75895E-9 -1.0289196E-13    2
  -6.20252988E4  -1.16135256E2   2.32269738E0  9.45160149E-2 -6.99057179E-5    3
  2.79772916E-8-4.74244431E-12   -5.2758683E4   2.53458269E1                   4
NC4H9COCH2        -THERMH  11O   1C   6     G     300.0    5000.0  1387.0      1
   1.98575871E1   2.5240637E-2 -8.72522623E-6  1.36422047E-9-7.95374883E-14    2
  -2.20531958E4  -7.71140999E1  6.57240675E-1  6.91820222E-2 -4.79956182E-5    3
  1.78114857E-8-2.80456388E-12  -1.51806661E4   2.65180216E1                   4
NC4H9COCH3        -THERMH  12O   1C   6     G     300.0    5000.0  1384.0      1
   1.93396071E1  2.80294129E-2 -9.64367685E-6  1.50309259E-9-8.74431874E-14    2
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  1.19083422E-8-1.47157105E-12   -3.6520095E4   2.62126637E1                   4
CHCHCHO                 H   3O   1C   3     G     300.0    5000.0  1394.0      1
   1.02666402E1  7.09612931E-3 -2.47272731E-6 3.88739735E-10-2.27523413E-14    2
     1.516538E4  -2.79927436E1   1.20905268E0  3.19125216E-2 -2.93443761E-5    3
  1.38077482E-8-2.58328113E-12   1.79711576E4   1.93989644E1                   4
NC3H7COC2H5       6-THRMH  12O   1C   6     G     300.0    5000.0  1378.0      1
   1.99627893E1  2.68078451E-2 -9.08527269E-6   1.4028833E-9-8.11176345E-14    2
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  1.36804265E-8-1.86987155E-12   -3.6803943E4   2.48054841E1                   4
AC3H4CH2CHO       -THERMH   7O   1C   5     G     300.0    5000.0  1390.0      1
    1.6419472E1  1.64616603E-2 -5.73985444E-6 9.02736216E-10-5.28504586E-14    2
  -2.92593174E3  -5.92282775E1 -1.83421579E-1  5.69425872E-2  -4.4436828E-5    3
  1.81316803E-8 -3.0448851E-12   2.71337433E3   2.94114305E1                   4
IC5H11CO          -THERMH  11O   1C   6     G     300.0    5000.0  1383.0      1
   1.98188304E1  2.46169767E-2 -8.37269097E-6  1.29548967E-9 -7.4999811E-14    2
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  1.33304172E-8-1.73828245E-12  -1.53487591E4   2.46157767E1                   4
CH3CHOCHO         -THERMH   5O   2C   3     G     300.0    5000.0  1395.0      1
   1.27827539E1  1.21529347E-2 -4.21228103E-6 6.59844007E-10-3.85228684E-14    2
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  1.39422914E-8-2.35317319E-12  -1.74952136E4   2.58742916E1                   4
XC7H15O2          -THERMH  15O   2C   7     G     300.0    5000.0  1390.0      1
   2.56414129E1   3.4728272E-2 -1.19896068E-5  1.87291322E-9-1.09123152E-13    2
  -3.07410559E4  -1.04954825E2 -3.84752007E-2  9.34559105E-2  -6.4354016E-5    3
  2.37092902E-8-3.70460189E-12  -2.15504468E4   3.36546874E1                   4
XC7H15O2H         -THERMH  16O   2C   7     G     300.0    5000.0  1390.0      1
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  2.72817863E-8-4.24730414E-12  -3.83873878E4   3.77857109E1                   4
YC7H15O2          -THERMH  15O   2C   7     G     300.0    5000.0  1390.0      1
   2.63777368E1  3.40995934E-2 -1.17718548E-5    1.838818E-9-1.07133205E-13    2
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  2.80486966E-8-4.66877903E-12  -2.46466146E4   3.08813371E1                   4
YC7H15O2H         -THERMH  16O   2C   7     G     300.0    5000.0  1391.0      1
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  3.15543609E-8-5.19979696E-12   -4.1485428E4   3.49419277E1                   4
ZC7H15O2          -THERMH  15O   2C   7     G     300.0    5000.0  1392.0      1
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  2.94068415E-8-4.90156423E-12  -2.37993417E4   3.64080629E1                   4
ZC7H15O2H         -THERMH  16O   2C   7     G     300.0    5000.0  1392.0      1
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   3.5720777E-8-6.08505338E-12  -4.05800374E4   4.25341257E1                   4
NC7H15O2          -THERMH  15O   2C   7     G     300.0    5000.0  1392.0      1
    2.6872854E1  3.36470348E-2   -1.160955E-5  1.81291039E-9 -1.0560381E-13    2
   -3.1436798E4  -1.13299239E2 -7.28733137E-1  9.91363594E-2 -7.23619912E-5    3
  2.80830549E-8-4.55317178E-12  -2.18516784E4   3.47483179E1                   4
NC7H15O2H         -THERMH  16O   2C   7     G     300.0    5000.0  1393.0      1
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OC7H15O2          -THERMH  15O   2C   7     G     300.0    5000.0  1394.0      1
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OC7H15O2H         -THERMH  16O   2C   7     G     300.0    5000.0  1395.0      1
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PC7H15O2          -THERMH  15O   2C   7     G     300.0    5000.0  1394.0      1
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  3.32489557E-8-5.61789246E-12  -2.41096371E4   3.75409119E1                   4
PC7H15O2H         -THERMH  16O   2C   7     G     300.0    5000.0  1395.0      1
      3.02387E1  3.30982482E-2 -1.14644388E-5  1.79509521E-9-1.04769542E-13    2
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QC7H15O2          -THERMH  15O   2C   7     G     300.0    5000.0  1392.0      1
    2.6872854E1  3.36470348E-2   -1.160955E-5  1.81291039E-9 -1.0560381E-13    2
   -3.1436798E4   -1.1439637E2 -7.28733137E-1  9.91363594E-2 -7.23619912E-5    3
  2.80830549E-8-4.55317178E-12  -2.18516784E4   3.36511866E1                   4
QC7H15O2H         -THERMH  16O   2C   7     G     300.0    5000.0  1393.0      1
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  3.16099898E-8-5.08629553E-12  -3.86905437E4   3.77244327E1                   4
AC6H11-C          -THERMH  11C   6          G     300.0    5000.0  1391.0      1
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   1.18586639E3  -6.80542016E1 -8.34480314E-1  6.59130188E-2 -4.31921071E-5    3
  1.46901865E-8-2.06602701E-12   7.74317615E3   3.05654616E1                   4
Y-YC7H14O         -THERMH  14O   1C   7     G     300.0    5000.0  1397.0      1
   2.39674197E1  3.19629086E-2 -1.09575314E-5  1.70388263E-9-9.89667798E-14    2
  -4.09521819E4  -1.07004135E2  -6.12471972E0  1.06936922E-1 -8.38262727E-5    3
  3.44195785E-8-5.77838259E-12  -3.09582104E4   5.29684725E1                   4
A-BC6H12O         -THERMH  12O   1C   6     G     300.0    5000.0  1389.0      1
     2.019134E1  2.79678511E-2 -9.67421525E-6  1.51319597E-9-8.82456559E-14    2
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  2.81794043E-8-4.97055901E-12   -2.3150235E4    4.0575192E1                   4
A-AC6H12O         -THERMH  12O   1C   6     G     300.0    5000.0  1377.0      1
   1.99156255E1  2.80570645E-2 -9.60026024E-6  1.49237353E-9-8.67075947E-14    2
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   1.7201149E-8-2.31454215E-12  -1.98116601E4   4.52301269E1                   4
AC15H31           -THERMH  31C  15          G     300.0    5000.0  1395.0      1
    4.9512098E1  6.61920953E-2 -2.25609688E-5  3.49489959E-9-2.02467578E-13    2
  -4.89810035E4   -2.3393584E2   -4.7445374E0  1.90095411E-1 -1.29433617E-4    3
  4.49260181E-8-6.29835957E-12  -2.99275109E4   5.83409669E1                   4
BC15H31           -THERMH  31C  15          G     300.0    5000.0  1395.0      1
    4.9512098E1  6.61920953E-2 -2.25609688E-5  3.49489959E-9-2.02467578E-13    2
  -4.93836205E4   -2.3434349E2   -4.7445374E0  1.90095411E-1 -1.29433617E-4    3
  4.49260181E-8-6.29835957E-12  -3.03301279E4   5.79333172E1                   4
CC15H31           -THERMH  31C  15          G     300.0    5000.0  1397.0      1
    5.2985825E1    6.195683E-2 -2.08463617E-5  3.20318719E-9-1.84579652E-13    2
  -4.99305811E4  -2.55056812E2  -8.62825416E0  2.09199749E-1 -1.54105396E-4    3
  5.74259259E-8-8.54621074E-12  -2.91626757E4   7.41781453E1                   4
DC15H31           -THERMH  31C  15          G     300.0    5000.0  1395.0      1
    4.9512098E1  6.61920953E-2 -2.25609688E-5  3.49489959E-9-2.02467578E-13    2
  -4.89810035E4   -2.3393584E2   -4.7445374E0  1.90095411E-1 -1.29433617E-4    3
  4.49260181E-8-6.29835957E-12  -2.99275109E4   5.83409669E1                   4
AC12H25           -THERMH  25C  12          G     300.0    5000.0  1399.0      1
   4.14001629E1  5.14799704E-2 -1.74977085E-5  2.70570715E-9-1.56559391E-13    2
  -3.48869604E4  -1.93856071E2  -6.73715492E0  1.68338972E-1 -1.26464989E-4    3
  4.90568799E-8-7.72524873E-12   -1.8722218E4   6.29200405E1                   4
FC12H25           -THERMH  25C  12          G     300.0    5000.0  1399.0      1
   4.14001629E1  5.14799704E-2 -1.74977085E-5  2.70570715E-9-1.56559391E-13    2
  -3.44843434E4  -1.93861104E2  -6.73715492E0  1.68338972E-1 -1.26464989E-4    3
  4.90568799E-8-7.72524873E-12   -1.8319601E4   6.29150078E1                   4
AC11H23           -THERMH  23C  11          G     300.0    5000.0  1392.0      1
   3.48099357E1  5.04426151E-2 -1.72599117E-5  2.68035945E-9-1.55536958E-13    2
  -3.09556117E4  -1.57400454E2  -1.44551858E0  1.28733737E-1 -7.98723965E-5    3
  2.46412637E-8-2.98878177E-12  -1.76973678E4   3.96291347E1                   4
SC11H23           -THERMH  23C  11          G     300.0    5000.0  1395.0      1
   3.81820692E1  4.63659019E-2 -1.56110727E-5  2.39969925E-9-1.38313353E-13    2
   -3.1048417E4  -1.77522587E2  -5.54344382E0  1.48873595E-1 -1.06134274E-4    3
  3.81412897E-8-5.45661015E-12  -1.60972822E4   5.68530023E1                   4
CC9H19            -THERMH  19C   9          G     300.0    5000.0  1400.0      1
    3.1765778E1  3.80616575E-2 -1.28812466E-5  1.98633085E-9-1.14719962E-13    2
  -2.22004663E4  -1.46311135E2  -5.39098479E0  1.29003975E-1 -9.81785848E-5    3
  3.83667672E-8-6.05183855E-12  -9.83935882E3   5.15590916E1                   4
AC15H30           -THERMH  30C  15          G     300.0    5000.0  1398.0      1
   5.04156761E1  6.30301296E-2 -2.14141879E-5  3.31035969E-9-1.91507753E-13    2
  -5.64517269E4  -2.40523101E2  -7.85898346E0  2.04599764E-1 -1.53751235E-4    3
  5.98477999E-8-9.47872203E-12  -3.68699403E4     7.033114E1                   4
BC15H30           -THERMH  30C  15          G     300.0    5000.0  1397.0      1
   5.00778055E1  6.32600609E-2 -2.14827417E-5  3.32008279E-9-1.92038738E-13    2
  -5.81492013E4  -2.39087249E2  -7.38564431E0  2.01232945E-1 -1.48567402E-4    3
  5.67056511E-8-8.80759977E-12  -3.86778755E4   6.80163756E1                   4
CC15H30           -THERMH  30C  15          G     300.0    5000.0  1397.0      1
   5.01289433E1  6.33288529E-2 -2.15293735E-5  3.32959912E-9-1.92678849E-13    2
   -5.8114986E4  -2.40384351E2   -8.3334031E0  2.05196513E-1 -1.54061109E-4    3
  5.99512775E-8-9.50022012E-12  -3.84434637E4   7.15455688E1                   4
DC15H30           -THERMH  30C  15          G     300.0    5000.0  1399.0      1
   5.04721818E1  6.30919663E-2 -2.14580718E-5  3.31942441E-9-1.92121065E-13    2
  -5.64201918E4  -2.41851444E2  -8.79880932E0   2.0852573E-1 -1.59184925E-4    3
  6.30547411E-8-1.01627125E-11  -3.66366803E4   7.38240028E1                   4
EC15H30           -THERMH  30C  15          G     300.0    5000.0  1398.0      1
   4.99875815E1  6.34966041E-2 -2.15955397E-5  3.34061718E-9-1.93342923E-13    2
  -5.84178679E4  -2.39534709E2  -8.38991169E0  2.05730964E-1 -1.55194313E-4    3
  6.07858555E-8-9.70083132E-12  -3.88243993E4   7.17515758E1                   4
FC15H30           -THERMH  30C  15          G     300.0    5000.0  1400.0      1
   5.21156204E1  6.10181993E-2  -2.0608734E-5  3.17412313E-9-1.83183452E-13    2
  -5.81014521E4  -2.52820315E2  -1.07194727E1  2.16513947E-1 -1.68239389E-4    3
  6.69426621E-8-1.07213016E-11  -3.73933143E4   8.11492428E1                   4
GC15H30           -THERMH  30C  15          G     300.0    5000.0  1400.0      1
   5.21156204E1  6.10181993E-2  -2.0608734E-5  3.17412313E-9-1.83183452E-13    2
  -5.81014521E4  -2.52820315E2  -1.07194727E1  2.16513947E-1 -1.68239389E-4    3
  6.69426621E-8-1.07213016E-11  -3.73933143E4   8.11492428E1                   4
HC15H30           -THERMH  30C  15          G     300.0    5000.0  1398.0      1
   4.99322368E1  6.34329797E-2  -2.1550865E-5  3.33141118E-9-1.92720675E-13    2
  -5.80472618E4   -2.3821299E2  -7.45244082E0  2.01814195E-1 -1.49772402E-4    3
  5.75850899E-8-9.01801509E-12  -3.86546565E4     6.826986E1                   4
IC15H30           -THERMH  30C  15          G     300.0    5000.0  1398.0      1
   5.04156761E1  6.30301296E-2 -2.14141879E-5  3.31035969E-9-1.91507753E-13    2
  -5.64517269E4  -2.40523101E2  -7.85898346E0  2.04599764E-1 -1.53751235E-4    3
  5.98477999E-8-9.47872203E-12  -3.68699403E4     7.033114E1                   4
AC15H29           -THERMH  29C  15          G     300.0    5000.0  1398.0      1
   4.99970303E1  6.08877919E-2 -2.06862172E-5   3.1978713E-9-1.85003937E-13    2
  -3.13862178E4  -2.35416746E2  -7.08806802E0  2.00036551E-1 -1.51253262E-4    3
  5.91974773E-8 -9.4185735E-12  -1.22574889E4    6.8915084E1                   4
AC12H24           -THERMH  24C  12          G     300.0    5000.0  1399.0      1
   4.07858377E1  4.96063325E-2 -1.67955857E-5  2.59063177E-9-1.49647397E-13    2
  -4.37674679E4  -1.94509519E2  -6.50879864E0  1.65244332E-1 -1.25428889E-4    3
  4.91330538E-8-7.79959788E-12  -2.79876413E4   5.74472375E1                   4
AC12H23           -THERMH  23C  12          G     300.0    5000.0  1399.0      1
   4.03708286E1  4.74593265E-2 -1.60657969E-5  2.47784853E-9-1.43126281E-13    2
  -1.87038166E4  -1.89424438E2  -5.73516113E0  1.60667487E-1 -1.22908374E-4    3
  4.84679835E-8-7.73616967E-12  -3.37556719E3   5.60188587E1                   4
AC11H22           -THERMH  22C  11          G     300.0    5000.0  1396.0      1
   3.56729885E1  4.73591173E-2 -1.61484849E-5   2.5020908E-9-1.44969403E-13    2
  -3.84167662E4  -1.63771493E2  -4.56795124E0  1.43190287E-1 -1.04050651E-4    3
  3.94654891E-8-6.14703947E-12  -2.46363403E4   5.16787213E1                   4
BC11H22           -THERMH  22C  11          G     300.0    5000.0  1396.0      1
   3.51843868E1  4.77447864E-2 -1.62745807E-5  2.52101445E-9-1.46039416E-13    2
   -3.7986321E4  -1.61406585E2  -4.16979449E0  1.40555789E-1 -1.00408599E-4    3
  3.74420692E-8 -5.7419046E-12   -2.4409657E4   4.96331435E1                   4
CC11H22           -THERMH  22C  11          G     300.0    5000.0  1398.0      1
   3.72844469E1  4.53010176E-2  -1.5300868E-5  2.35658972E-9-1.35998669E-13    2
  -3.96681984E4   -1.7412014E2  -6.53321901E0  1.51497627E-1 -1.13702252E-4    3
  4.37551332E-8-6.79627894E-12  -2.49867178E4    5.9593773E1                   4
DC11H22           -THERMH  22C  11          G     300.0    5000.0  1400.0      1
    3.7602075E1  4.50969137E-2 -1.52423366E-5  2.34848758E-9-1.35562577E-13    2
    -3.876561E4  -1.76534776E2  -7.02902008E0  1.54972362E-1 -1.19059304E-4    3
  4.70087515E-8-7.49207733E-12  -2.39807945E4   6.09139726E1                   4
AC11H21           -THERMH  21C  11          G     300.0    5000.0  1396.0      1
    3.5247988E1   4.5222361E-2 -1.54222957E-5  2.38985138E-9-1.38478473E-13    2
  -1.33469184E4  -1.57528925E2   -3.8327696E0  1.38791279E-1 -1.01801559E-4    3
  3.89672013E-8 -6.1194546E-12  -1.86195006E1   5.15242188E1                   4
AC10H20           -THERMH  20C  10          G     300.0    5000.0  1397.0      1
   3.19824935E1  4.32574766E-2 -1.47296017E-5  2.28016564E-9-1.32028333E-13    2
  -3.29747929E4  -1.44835069E2  -4.72012643E0   1.3042212E-1 -9.42519799E-5    3
  3.54504192E-8-5.46310914E-12  -2.03983468E4   5.17287385E1                   4
AC10H19           -THERMH  19C  10          G     300.0    5000.0  1397.0      1
   3.15612819E1   4.1118677E-2 -1.40030624E-5  2.16791591E-9-1.25538824E-13    2
  -7.90803096E3   -1.3861673E2  -3.95193247E0  1.25872015E-1 -9.17749424E-5    3
  3.48136346E-8-5.40597651E-12   4.21449306E3   5.14222287E1                   4
AC9H18            -THERMH  18C   9          G     300.0    5000.0  1399.0      1
   2.92015943E1  3.85040604E-2 -1.31112506E-5  2.02964101E-9-1.17521373E-13    2
  -2.91207233E4  -1.30994653E2  -4.96378217E0  1.21496398E-1 -9.09457136E-5    3
  3.55033673E-8-5.66705185E-12  -1.76079228E4   5.13080769E1                   4
AC9H17            -THERMH  17C   9          G     300.0    5000.0  1399.0      1
   2.87794298E1  3.63662859E-2 -1.23851014E-5  1.91745511E-9-1.11035674E-13    2
  -4.05354471E3  -1.24770739E2   -4.1908947E0  1.16925083E-1 -8.84377212E-5    3
  3.48478788E-8-5.60587764E-12   7.00422191E3   5.09799304E1                   4
NEC5COCH3         -THERMH  14O   1C   7     G     300.0    5000.0  1390.0      1
   2.43486596E1  3.06917909E-2 -1.05004224E-5  1.63082524E-9-9.46511062E-14    2
  -4.83195289E4  -1.05898492E2  -1.46390909E0   9.0568595E-2 -6.37865551E-5    3
  2.33501459E-8-3.52135242E-12  -3.92954226E4    3.2911607E1                   4
NEC5COCH2         -THERMH  13O   1C   7     G     300.0    5000.0  1390.0      1
   2.39256329E1  2.85722552E-2 -9.78428852E-6  1.52057894E-9-8.82932128E-14    2
  -2.32552376E4  -1.00750242E2 -6.89460021E-1  8.60015804E-2 -6.12862996E-5    3
  2.27088339E-8-3.46573783E-12  -1.46838916E4   3.15015429E1                   4
NEC5XCOCH3        -THERMH  13O   1C   7     G     300.0    5000.0  1389.0      1
   2.35621894E1  2.88581082E-2 -9.87718774E-6  1.53443325E-9 -8.9072082E-14    2
  -2.30773814E4  -9.50944577E1 -1.44721905E-1   8.3942407E-2 -5.92564184E-5    3
  2.19414227E-8-3.37300945E-12  -1.47712425E4   3.24057668E1                   4
NC9H19COCH3       -THERMH  22O   1C  11     G     300.0    5000.0  1395.0      1
   3.87643705E1  4.69869627E-2 -1.60527598E-5  2.49085365E-9-1.44474545E-13    2
  -6.70767543E4  -1.79398414E2  -4.51339654E0  1.50914646E-1 -1.12198094E-4    3
  4.32491033E-8-6.81098841E-12  -5.23694605E4   5.19615686E1                   4
NC9H18COCH3       -THERMH  21O   1C  11     G     300.0    5000.0  1395.0      1
   3.83340808E1  4.48665972E-2 -1.53348131E-5  2.38016704E-9-1.38084696E-13    2
  -4.20079261E4  -1.73132227E2  -3.73606909E0   1.4632647E-1 -1.09674755E-4    3
  4.25941509E-8-6.75201318E-12  -2.77580257E4   5.16124695E1                   4
NC9H19COCH2       -THERMH  21O   1C  11     G     300.0    5000.0  1395.0      1
   3.83340808E1  4.48665972E-2 -1.53348131E-5  2.38016704E-9-1.38084696E-13    2
  -4.20079261E4  -1.74229358E2  -3.73606909E0   1.4632647E-1 -1.09674755E-4    3
  4.25941509E-8-6.75201318E-12  -2.77580257E4   5.05153382E1                   4
TC4COC3H5         -THERMH  14O   1C   8     G     300.0    5000.0  1395.0      1
   2.70367499E1  3.13511139E-2 -1.08120877E-5  1.68801293E-9-9.83192808E-14    2
  -4.00553273E4  -1.18836047E2  -3.07112993E0   1.0549821E-1 -8.20252283E-5    3
  3.33242527E-8-5.54541019E-12  -2.99564458E4   4.15500074E1                   4
TC4XCOC3H5        -THERMH  13O   1C   8     G     300.0    5000.0  1395.0      1
   2.66120586E1  2.92202519E-2 -1.00893577E-5  1.57646693E-9-9.18750878E-14    2
  -1.49887451E4   -1.1260144E2  -2.28537013E0  1.00851382E-1 -7.93890096E-5    3
  3.25857415E-8-5.46566686E-12  -5.34576022E3   4.11660314E1                   4
TC4COC3H4         -THERMH  13O   1C   8     G     300.0    5000.0  1395.0      1
   2.66120586E1  2.92202519E-2 -1.00893577E-5  1.57646693E-9-9.18750878E-14    2
  -1.49887451E4  -1.13698572E2  -2.28537013E0  1.00851382E-1 -7.93890096E-5    3
  3.25857415E-8-5.46566686E-12  -5.34576022E3   4.00689001E1                   4
DC7H15CHO         -THERMH  16O   1C   8     G     300.0    5000.0  1398.0      1
   2.80119232E1   3.4921774E-2 -1.19845957E-5  1.86495637E-9-1.08379043E-13    2
  -5.06054429E4  -1.23012199E2  -3.06736069E0  1.08265641E-1  -7.8293268E-5    3
  2.92045384E-8-4.44377027E-12  -3.99146804E4   4.35913959E1                   4
DC7H15CO          -THERMH  15O   1C   8     G     300.0    5000.0  1398.0      1
   2.76457618E1   3.2697566E-2 -1.12206226E-5    1.746079E-9-1.01473322E-13    2
  -3.16578226E4  -1.19373628E2  -2.41332136E0  1.03978249E-1 -7.59446311E-5    3
  2.85214415E-8-4.35610413E-12   -2.1367853E4   4.16133987E1                   4
AC11H23CHO        -THERMH  24O   1C  12     G     300.0    5000.0  1404.0      1
   3.07650467E1  5.07347111E-2 -1.99329071E-5  3.85372576E-9 -2.6744929E-13    2
  -5.75526306E4  -1.33140309E2  -3.19287543E0   1.3419721E-1 -1.00592117E-4    3
  4.01323798E-8-6.60624776E-12  -4.60521927E4   4.79620446E1                   4
AC11H23CO         -THERMH  23O   1C  12     G     300.0    5000.0  1405.0      1
   2.99391623E1  4.94751059E-2 -1.98124572E-5  3.88180546E-9 -2.7131696E-13    2
  -3.84483601E4  -1.27019324E2  -2.37814992E0  1.29177781E-1  -9.7146471E-5    3
  3.87985758E-8-6.39111356E-12  -2.75292033E4   4.52384847E1                   4
HC11H23CHO        -THERMH  24O   1C  12     G     300.0    5000.0  1399.0      1
   4.24602063E1  5.11907648E-2 -1.75281687E-5  2.72364053E-9-1.58125067E-13    2
  -6.85711007E4  -1.98896499E2  -6.18999506E0  1.68965204E-1 -1.27198374E-4    3
  4.93902225E-8-7.79362229E-12  -5.21735656E4   6.07779804E1                   4
HC11H23CO         -THERMH  23O   1C  12     G     300.0    5000.0  1400.0      1
   4.20430477E1  4.90599449E-2 -1.68069188E-5  2.61248167E-9-1.51709849E-13    2
  -4.96085727E4   -1.9498536E2  -5.41004061E0  1.64141635E-1 -1.24112933E-4    3
  4.83048216E-8 -7.6279431E-12  -3.36461998E4   5.82080492E1                   4
IC11H22CHO        -THERMH  23O   1C  12     G     300.0    5000.0  1398.0      1
   4.21315207E1  4.89567862E-2 -1.67663705E-5  2.60573205E-9 -1.5130284E-13    2
  -4.40170119E4   -1.9434271E2  -5.32742251E0  1.63741663E-1 -1.23443449E-4    3
  4.78682427E-8-7.53132181E-12  -2.80215144E4   5.89930427E1                   4
HC7COC4H8         -THERMH  23O   1C  12     G     300.0    5000.0  1398.0      1
   4.18306845E1  4.94870528E-2  -1.7008012E-5  2.64940649E-9-1.54081894E-13    2
   -4.6149599E4  -1.93344204E2   -6.7203949E0  1.67912255E-1 -1.28546119E-4    3
  5.08148511E-8 -8.1697507E-12  -2.98506505E4   6.55258465E1                   4
IC7CHO            -THERMH  14O   1C   8     G     300.0    5000.0  1397.0      1
   2.80073926E1  2.99831741E-2 -1.02253664E-5  1.58488866E-9-9.18607118E-14    2
  -3.80991545E4  -1.25419231E2  -3.11902971E0  1.08541052E-1 -8.72454192E-5    3
  3.62932676E-8-6.11336113E-12  -2.79181166E4    3.9602731E1                   4
IC7CO             -THERMH  13O   1C   8     G     300.0    5000.0  1397.0      1
   2.75960186E1  2.78495318E-2 -9.50363557E-6   1.4737083E-9-8.54464747E-14    2
  -1.91396435E4  -1.21543209E2  -2.35385504E0  1.03787995E-1 -8.42598508E-5    3
  3.52680164E-8-5.96082293E-12  -9.38870846E3   3.70999198E1                   4
IC7H13CHO         -THERMH  14O   1C   8     G     300.0    5000.0  1399.0      1
   2.85011343E1  2.94585971E-2 -1.00221287E-5  1.55092022E-9-8.97943658E-14    2
  -3.72514994E4  -1.26593179E2  -3.68634148E0  1.12256875E-1 -9.27663597E-5    3
  3.94840521E-8-6.76381565E-12  -2.69000372E4    4.3465535E1                   4
IC7H13CO          -THERMH  13O   1C   8     G     300.0    5000.0  1399.0      1
   2.80905439E1  2.73227149E-2 -9.29932713E-6  1.43954542E-9-8.33678159E-14    2
  -1.82921869E4  -1.22721162E2  -2.92050613E0  1.07499779E-1 -8.97746062E-5    3
  3.84543874E-8-6.61017323E-12  -8.37069298E3   4.09599255E1                   4
IC7H14CO          -THERMH  14O   1C   8     G     300.0    5000.0  1372.0      1
   3.37293354E1   2.7213987E-2 -9.74180311E-6  1.55926233E-9-9.24090074E-14    2
  -4.24713603E4  -1.73980636E2 -7.21885999E-1  1.01269399E-1 -6.78142404E-5    3
  2.10712534E-8-2.41510782E-12  -2.99376107E4   1.32092514E1                   4
IC10H19CHO        -THERMH  20O   1C  11     G     300.0    5000.0  1397.0      1
    3.7405783E1  4.32994362E-2 -1.46537549E-5  2.25959724E-9-1.30498371E-13    2
  -5.27775697E4  -1.70425438E2  -3.68991798E0  1.44720147E-1 -1.11304673E-4    3
  4.44476348E-8-7.21563109E-12  -3.91287893E4    4.8226648E1                   4
IC10H19CO         -THERMH  19O   1C  11     G     300.0    5000.0  1397.0      1
   3.69965445E1   4.1157144E-2 -1.39277233E-5  2.14762304E-9-1.24033397E-13    2
  -3.38185181E4  -1.66559742E2  -2.91900899E0  1.39931974E-1 -1.08263629E-4    3
  4.33847156E-8-7.05410571E-12  -2.05999501E4   4.56994839E1                   4
NEC6H11CHO        -THERMH  12O   1C   7     G     300.0    5000.0  1398.0      1
   2.45480623E1  2.60882769E-2 -8.96289748E-6  1.39592646E-9-8.11751369E-14    2
  -3.37723048E4  -1.06291225E2   -3.4706639E0  9.74212111E-2  -7.9734371E-5    3
  3.37262431E-8 -5.7682915E-12  -2.46527542E4   4.20631842E1                   4
NEC6H11CO         -THERMH  11O   1C   7     G     300.0    5000.0  1398.0      1
   2.41270288E1  2.39644266E-2 -8.24481095E-6  1.28533619E-9-7.47959198E-14    2
  -1.48089502E4  -1.02359976E2  -2.70692438E0  9.26659017E-2 -7.67523484E-5    3
  3.27075302E-8-5.61785001E-12   -6.1227987E3   3.95693252E1                   4
NFC6H11CHO        -THERMH  12O   1C   7     G     300.0    5000.0  1394.0      1
   2.30716712E1   2.7212532E-2 -9.32318108E-6  1.44938749E-9-8.41784309E-14    2
  -2.88034122E4   -9.5374492E1  -1.11236638E0   8.2749461E-2  -5.7545294E-5    3
   2.0290438E-8-2.88204051E-12  -2.03502082E4   3.47799435E1                   4
NFC6H11CO         -THERMH  11O   1C   7     G     300.0    5000.0  1394.0      1
   2.26523565E1  2.50909312E-2 -8.60665445E-6  1.33911955E-9 -7.7821087E-14    2
  -9.84185264E3  -9.14560997E1 -3.60838515E-1  7.80430662E-2 -5.46265447E-5    3
  1.93084192E-8-2.73949191E-12  -1.81829573E3   3.23435814E1                   4
! [_ SMILES="CC[CH]C=C" _]
! [_ INCHI="INCHI=1/C5H9/C1-3-5-4-2/H3,5H,1,4H2,2H3" _]
! [_ CAS="17829-37-7" _]
C5H9              -THERMH   9C   5          G     300.0    5000.0  1392.0      1
   1.41860454E1  2.07128899E-2 -7.06960617E-6  1.09607133E-9-6.35322208E-14    2
   7.00496135E3  -5.14501773E1   -1.3801395E0  5.57608487E-2 -3.70143928E-5    3
  1.26883901E-8-1.78538835E-12   1.25589824E4   3.26441304E1                   4
C4H7O             -THERMH   7O   1C   4     G     300.0    5000.0  1395.0      1
    1.5313778E1  1.43427017E-2 -4.81625517E-6 7.39574839E-10-4.26140814E-14    2
  -7.29342884E2  -5.52937859E1  -1.60619192E0  5.58562682E-2 -4.35595767E-5    3
  1.70589279E-8 -2.6563518E-12   4.85090326E3   3.47112559E1                   4
C4H8OH-1          -THERMH   9O   1C   4     G     300.0    5000.0  2017.0      1
   1.22411698E1  2.14192799E-2 -7.36540176E-6  1.15346865E-9-6.74843941E-14    2
  -1.59314041E4  -3.35659613E1   8.9372948E-1  4.56458552E-2 -2.50918881E-5    3
  6.24130181E-9-4.99533512E-13  -1.20051696E4   2.78453352E1                   4
C4H8OH-2          -THERMH   9O   1C   4     G     300.0    5000.0  1390.0      1
   1.40098964E1  1.96303998E-2 -6.61483807E-6  1.01686276E-9-5.85950747E-14    2
    -1.908659E4  -4.50052542E1  7.34225848E-1  4.82233506E-2  -2.9256611E-5    3
  8.78396067E-9-1.01812519E-12  -1.42394556E4   2.71427693E1                   4
C7H162-4          --THRMH  16C   7          G     300.0    5000.0  1391.0      1
   2.22587834E1  3.52460342E-2 -1.21165333E-5  1.88731524E-9-1.09741951E-13    2
  -3.66865565E4  -9.49273295E1  -2.25657881E0  8.93437536E-2 -5.76290654E-5    3
  1.93991731E-8-2.72881106E-12  -2.77531748E4   3.80308727E1                   4
XC7H13            -THERMH  13C   7          G     300.0    5000.0  1389.0      1
   1.96153468E1  3.07074105E-2 -1.05530468E-5  1.64345959E-9-9.55499728E-14    2
  -6.27637829E3   -8.0230977E1 -3.06783292E-1  7.20691145E-2 -4.20233916E-5    3
  1.20050088E-8-1.32605214E-12   1.23740449E3   2.87284575E1                   4
C4H8OH-1O2        -THERMH   9O   3C   4     G     300.0    5000.0  1396.0      1
   1.74383247E1  2.16778876E-2 -7.37772628E-6  1.14128811E-9-6.60391451E-14    2
   -3.5589262E4   -5.7124714E1   2.88497398E0  5.63287929E-2 -3.98403503E-5    3
  1.53891643E-8-2.51940787E-12  -3.05246721E4   2.09293355E1                   4
C4H8OH-2O2        -THERMH   9O   3C   4     G     300.0    5000.0  1399.0      1
   1.82942871E1  2.09395389E-2 -7.12096934E-6  1.10103094E-9-6.36889768E-14    2
  -3.80505855E4  -6.29154326E1   2.10003504E0  6.17528218E-2 -4.77238541E-5    3
  1.99145784E-8-3.44416275E-12  -3.26698755E4   2.30901271E1                   4
PC7H13            -THERMH  13C   7          G     300.0    5000.0  1395.0      1
   2.26129894E1  2.77467437E-2 -9.53846374E-6   1.4861449E-9-8.64439685E-14    2
  -4.57539207E3  -9.91958452E1  -3.83147859E0  9.09425888E-2 -6.75926148E-5    3
  2.58774993E-8-4.03534926E-12   4.43731466E3   4.22753578E1                   4
XC7H14OH-Y        -THERMH  15O   1C   7     G     300.0    5000.0  1386.0      1
   2.22783263E1  3.43327362E-2 -1.16997135E-5  1.81185921E-9-1.04934239E-13    2
  -3.20382299E4  -8.54790118E1   1.88943975E0   7.4338104E-2 -3.88094379E-5    3
  8.74062545E-9-4.92170854E-13  -2.41404858E4   2.68171689E1                   4
YC7H14OH-X        -THERMH  15O   1C   7     G     300.0    5000.0  1395.0      1
   2.44198948E1  3.26141749E-2 -1.11277649E-5  1.72465226E-9-9.99370381E-14    2
  -3.37691859E4  -1.00566731E2  -1.46081199E0   9.5216389E-2 -7.03010152E-5    3
  2.77008044E-8-4.53999616E-12  -2.49341118E4   3.77704028E1                   4
ZC7H14OH-Y        -THERMH  15O   1C   7     G     300.0    5000.0  1389.0      1
   2.27293371E1  3.43645876E-2 -1.17989857E-5  1.83627381E-9-1.06708101E-13    2
  -3.43951885E4  -9.04748301E1   1.36660349E0  7.90423499E-2 -4.65478027E-5    3
  1.38397859E-8-1.67038637E-12  -2.63341394E4   2.63092261E1                   4
YC7H14OH-Z        -THERMH  15O   1C   7     G     300.0    5000.0  1386.0      1
   2.51421059E1  3.07689835E-2 -1.02503022E-5  1.56498484E-9-8.97942845E-14    2
   -3.5430228E4     -1.04094E2  -1.17091087E0  9.04535368E-2 -6.07133535E-5    3
  2.04126687E-8-2.70549096E-12  -2.62136906E4      3.76917E1                   4
IC4H7OH-I1        -THERMH   8O   1C   4     G     300.0    5000.0  1394.0      1
   1.32365591E1  1.59923752E-2  -5.4439723E-6 9.01098899E-10-5.60417668E-14    2
  -2.88039672E4  -5.27831831E1   1.18782502E0  4.52809109E-2 -3.32605423E-5    3
  1.31626872E-8-2.15875142E-12  -2.47098603E4   1.15610587E1                   4
OC7H14OH-P        -THERMH  15O   1C   7     G     300.0    5000.0  1397.0      1
   2.55348915E1  3.09583295E-2 -1.04138045E-5   1.5994215E-9-9.21207426E-14    2
  -3.46430637E4  -1.07043495E2  -2.21939081E0  9.68557297E-2 -6.98444794E-5    3
  2.57897333E-8-3.83913004E-12  -2.52091735E4   4.14730991E1                   4
PC7H14OH-O        -THERMH  15O   1C   7     G     300.0    5000.0  1397.0      1
   2.55348915E1  3.09583295E-2 -1.04138045E-5   1.5994215E-9-9.21207426E-14    2
  -3.46430637E4  -1.07043495E2  -2.21939081E0  9.68557297E-2 -6.98444794E-5    3
  2.57897333E-8-3.83913004E-12  -2.52091735E4   4.14730991E1                   4
QC7H14OH-P        -THERMH  15O   1C   7     G     300.0    5000.0  1388.0      1
   2.57545373E1  3.02484467E-2 -1.00728739E-5  1.53768192E-9-8.82256412E-14    2
  -3.26186837E4  -1.08073692E2  -1.73709867E0  9.23353939E-2 -6.17685161E-5    3
  2.02322741E-8 -2.5349676E-12  -2.30137425E4   4.00725304E1                   4
PC7H14OH-Q        -THERMH  15O   1C   7     G     300.0    5000.0  1401.0      1
   2.56819188E1  3.12683533E-2 -1.06062029E-5  1.63752746E-9-9.46408986E-14    2
  -3.32600106E4  -1.08262865E2  -2.61451964E0   1.0177631E-1 -7.87214625E-5    3
  3.18540832E-8 -5.2549974E-12  -2.39092898E4   4.20827173E1                   4
XC7H14OH-YO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1397.0      1
   2.73863988E1  3.45662399E-2 -1.17551163E-5   1.8176408E-9-1.05147179E-13    2
  -5.07596916E4  -1.09702664E2   1.19975843E0    9.920075E-2 -7.45281247E-5    3
  3.02238575E-8-5.10583956E-12  -4.19261791E4   2.98489988E1                   4
YC7H14OH-XO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1395.0      1
    2.7715044E1   3.4586553E-2 -1.18286495E-5  1.83607041E-9 -1.0650231E-13    2
  -5.20069419E4    -1.111433E2   1.52474459E0  9.74076986E-2 -7.09070886E-5    3
  2.77523033E-8-4.55109042E-12    -4.297729E4   2.90963327E1                   4
YC7H14O-XO2H      98-TRMH  15O   3C   7     G     300.0    5000.0  1395.0      1
   3.01264252E1  3.28350808E-2 -1.12931251E-5  1.75986974E-9-1.02372085E-13    2
    -4.500037E4  -1.25967416E2  6.07141236E-1  1.04231825E-1 -7.84110217E-5    3
  3.09128552E-8 -5.0159955E-12  -3.49648652E4   3.17508793E1                   4
ZC7H14OH-YO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1399.0      1
   2.82113574E1  3.39628072E-2 -1.15682001E-5  1.79065554E-9-1.03663938E-13    2
    -5.323668E4  -1.15380233E2  4.75540024E-1  1.04224433E-1 -8.16974991E-5    3
  3.43215207E-8-5.94520562E-12  -4.40771965E4   3.17600948E1                   4
ZC7H14O-YO2H      98-TRMH  15O   3C   7     G     300.0    5000.0  1400.0      1
   3.07092675E1  3.21858853E-2 -1.10346879E-5  1.71590591E-9-9.96646277E-14    2
  -4.62890212E4  -1.30758551E2 -4.08721115E-1  1.10721882E-1 -8.83914277E-5    3
  3.68694911E-8-6.26225443E-12  -3.60662085E4   3.42911872E1                   4
YC7H14OH-ZO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1397.0      1
   2.80738848E1  3.41754908E-2 -1.16632387E-5  1.80778349E-9 -1.0475516E-13    2
   -5.3863129E4  -1.14453063E2  6.54007386E-1  1.02503566E-1 -7.87491594E-5    3
  3.24944435E-8-5.55873005E-12   -4.4680465E4      3.14376E1                   4
YC7H14O-ZO2H      98-TRMH  15O   3C   7     G     300.0    5000.0  1398.0      1
   3.04840118E1   3.2426235E-2 -1.11287099E-5  1.73176048E-9-1.00636123E-13    2
  -4.68561434E4  -1.29270303E2  -2.6351609E-1  1.09328044E-1 -8.62551802E-5    3
  3.56574754E-8-6.02440203E-12  -3.66680658E4   3.40916589E1                   4
OC7H14OH-PO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1401.0      1
     2.959804E1  3.29031991E-2 -1.12314204E-5  1.74128566E-9-1.00925258E-13    2
  -5.35588153E4   -1.2390459E2  -6.5287901E-1   1.0930294E-1 -8.65393673E-5    3
  3.59824774E-8-6.10465262E-12   -4.3624949E4   3.65288035E1                   4
OC7H14O-PO2H      98-TRMH  15O   3C   7     G     300.0    5000.0  1401.0      1
   3.21030866E1  3.11308486E-2 -1.07018342E-5   1.6673934E-9-9.69857621E-14    2
  -4.66180673E4  -1.39332938E2   -1.4986009E0  1.15609345E-1 -9.29166988E-5    3
  3.83285737E-8-6.37734163E-12  -3.56193793E4    3.8884899E1                   4
PC7H14OH-OO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1401.0      1
     2.959804E1  3.29031991E-2 -1.12314204E-5  1.74128566E-9-1.00925258E-13    2
  -5.35588153E4   -1.2390459E2  -6.5287901E-1   1.0930294E-1 -8.65393673E-5    3
  3.59824774E-8-6.10465262E-12   -4.3624949E4   3.65288035E1                   4
PC7H14O-OO2H      98-TRMH  15O   3C   7     G     300.0    5000.0  1401.0      1
   3.21030866E1  3.11308486E-2 -1.07018342E-5   1.6673934E-9-9.69857621E-14    2
  -4.66180673E4  -1.39332938E2   -1.4986009E0  1.15609345E-1 -9.29166988E-5    3
  3.83285737E-8-6.37734163E-12  -3.56193793E4    3.8884899E1                   4
QC7H14OH-PO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1400.0      1
   2.86706009E1  3.35327324E-2   -1.141377E-5  1.76613725E-9-1.02226516E-13    2
  -5.10126933E4  -1.18260823E2  4.68558572E-2  1.04569768E-1  -8.0163484E-5    3
  3.24976654E-8-5.41396284E-12  -4.14736747E4    3.4011255E1                   4
QC7H14O-PO2H      98-TRMH  15O   3C   7     G     300.0    5000.0  1400.0      1
    3.1079064E1  3.17865842E-2 -1.08806611E-5  1.69036999E-9-9.81236884E-14    2
  -4.40052297E4  -1.33069068E2 -8.68829454E-1  1.11386787E-1 -8.76603418E-5    3
  3.56567316E-8-5.87909628E-12  -3.34615653E4   3.66566914E1                   4
PC7H14OH-QO2      98-TRMH  15O   3C   7     G     300.0    5000.0  1399.0      1
   2.92372996E1  3.33217801E-2 -1.14006092E-5  1.77027619E-9-1.02717695E-13    2
  -5.17014778E4  -1.21273496E2  2.21061321E-1  1.04212502E-1  -7.8715445E-5    3
  3.12566042E-8-5.10141999E-12    -4.192284E4   3.34788572E1                   4
PC7H14O-QO2H      98-TRMH  15O   3C   7     G     300.0    5000.0  1399.0      1
   3.17420552E1  3.15436158E-2 -1.08677178E-5  1.69573581E-9-9.87352079E-14    2
  -4.47593345E4  -1.36697147E2 -6.45486616E-1  1.10609389E-1  -8.5229908E-5    3
  3.36849357E-8-5.39137664E-12  -3.39140255E4   3.59320364E1                   4
C4H8CHO-4         -THERMH   9O   1C   5     G     300.0    5000.0  1388.0      1
   1.65969615E1  2.07196999E-2 -7.14969212E-6  1.11659188E-9-6.50492039E-14    2
  -1.54539499E4  -6.03180192E1   1.16494271E0  5.43945461E-2 -3.49000792E-5    3
  1.14582711E-8-1.54697375E-12  -9.80619729E3    2.3489711E1                   4
C2H5COC2H4S       6-THRMH   9O   1C   5     G     300.0    5000.0  1385.0      1
    1.6190447E1  2.12169293E-2 -7.35412919E-6  1.15187377E-9-6.72380864E-14    2
  -1.92650763E4  -5.84937265E1   1.10728106E0   5.4890297E-2 -3.67695939E-5    3
  1.32867426E-8 -2.0696669E-12  -1.37435363E4   2.32804315E1                   4
C3H6COCH3-2       6-THRMH   9O   1C   5     G     300.0    5000.0  2017.0      1
   1.36994763E1  2.33997602E-2 -8.20838083E-6  1.30268499E-9-7.69151198E-14    2
  -1.44773517E4  -4.04820065E1   2.20585184E0  4.59605697E-2 -2.23175553E-5    3
  4.03645332E-9-1.91585252E-14  -1.02918446E4   2.24556304E1                   4
C4H8CHO-2         -THERMH   9O   1C   5     G     300.0    5000.0  2014.0      1
   1.41407667E1  2.28357886E-2  -7.9690421E-6  1.26040379E-9-7.42466834E-14    2
  -1.07960087E4  -4.22099585E1   2.67005026E0  4.58193092E-2 -2.29410393E-5    3
  4.53761436E-9-1.26593772E-13  -6.67002712E3   2.04249941E1                   4
C4H8CHO-1         -THERMH   9O   1C   5     G     300.0    5000.0  1382.0      1
   1.62387385E1  2.06785503E-2 -7.06216576E-6  1.09553003E-9-6.35307382E-14    2
  -1.05717872E4  -5.50446953E1   2.41842832E0  4.96272127E-2 -2.94995966E-5    3
  8.76068653E-9-1.04084476E-12  -5.38055616E3   2.04609422E1                   4
C4H8CHO-3         -THERMH   9O   1C   5     G     300.0    5000.0  2014.0      1
   1.41407667E1  2.28357886E-2  -7.9690421E-6  1.26040379E-9-7.42466834E-14    2
  -1.07960087E4  -4.22099585E1   2.67005026E0  4.58193092E-2 -2.29410393E-5    3
  4.53761436E-9-1.26593772E-13  -6.67002712E3   2.04249941E1                   4
NC4H9CHO          -THERMH  10O   1C   5     G     300.0    5000.0  1381.0      1
   1.67965163E1  2.25684519E-2 -7.67631588E-6  1.18769369E-9-6.87545554E-14    2
   -3.5682608E4  -6.09063312E1   1.59663472E0  5.43541416E-2 -3.21020651E-5    3
  9.35773559E-9-1.06688932E-12  -2.99841025E4   2.21281498E1                   4
C5H10OH-1         -THERMH  11O   1C   5     G     300.0    5000.0  1371.0      1
   1.75642279E1  2.33577469E-2 -7.81503517E-6  1.19674654E-9-6.88114207E-14    2
  -2.11605652E4  -6.19821034E1  9.51873649E-1  5.58286144E-2 -2.87750953E-5    3
  5.54684921E-9 1.10578801E-14  -1.48168651E4   2.93877119E1                   4
O2C5H10OH-1       9-THRMH  11O   3C   5     G     300.0    5000.0  1395.0      1
   2.06059936E1  2.61750874E-2 -8.92270421E-6  1.38184638E-9 -8.0023587E-14    2
  -4.07496333E4  -7.38943495E1   2.70461132E0  6.83289096E-2 -4.77921008E-5    3
   1.8123872E-8-2.90871344E-12  -3.44822614E4   2.22673007E1                   4
C5H10OH-2         -THERMH  11O   1C   5     G     300.0    5000.0  1390.0      1
   1.72742775E1  2.39409708E-2 -8.07388576E-6  1.24188426E-9-7.15926603E-14    2
  -2.31054055E4  -6.11106423E1  4.68530877E-1  6.05595171E-2 -3.75900684E-5    3
  1.16488887E-8-1.41506375E-12  -1.70158316E4   3.00652481E1                   4
O2C5H10OH-2       9-THRMH  11O   3C   5     G     300.0    5000.0  1398.0      1
    2.1525993E1  2.54039694E-2 -8.65952886E-6   1.3411044E-9 -7.7666374E-14    2
  -4.32473477E4  -8.00796638E1   1.89616952E0  7.37918569E-2 -5.55488679E-5    3
  2.24979959E-8-3.79045894E-12  -3.66230283E4   2.45460172E1                   4
C6H13O2H-1        -THERMH  14O   2C   6     G     300.0    5000.0  1388.0      1
   2.45609177E1  3.07471465E-2 -1.06611615E-5  1.67031752E-9-9.75224221E-14    2
  -4.21305786E4  -9.94217981E1  4.28827381E-1  8.52153162E-2 -5.81549717E-5    3
  2.08798889E-8-3.15227267E-12  -3.34464197E4   3.10485287E1                   4
C6H13O2H-2        -THERMH  14O   2C   6     G     300.0    5000.0  1390.0      1
    2.5370355E1  3.00455578E-2 -1.04162589E-5  1.63180782E-9-9.52693153E-14    2
  -4.47221575E4  -1.04960674E2 -4.38853727E-1  9.10055843E-2 -6.66797289E-5    3
  2.58472566E-8-4.18105592E-12   -3.5729372E4   3.35762294E1                   4
C6H13O2H-3        -THERMH  14O   2C   6     G     300.0    5000.0  1390.0      1
    2.5370355E1  3.00455578E-2 -1.04162589E-5  1.63180782E-9-9.52693153E-14    2
  -4.47221575E4  -1.04960674E2 -4.38853727E-1  9.10055843E-2 -6.66797289E-5    3
  2.58472566E-8-4.18105592E-12   -3.5729372E4   3.35762294E1                   4
C6H11O1-3         -THERMH  11O   1C   6     G     300.0    5000.0  1393.0      1
   2.22920437E1  2.24441825E-2 -7.53070994E-6   1.1557545E-9-6.65675174E-14    2
  -9.30566725E3  -8.94778368E1  -2.54423388E0  8.15467714E-2 -6.04734167E-5    3
    2.233304E-8-3.25460865E-12  -9.39930947E2   4.32736817E1                   4
C6H11O2-4         -THERMH  11O   1C   6     G     300.0    5000.0  1388.0      1
   2.17536453E1  2.29477789E-2 -7.71427788E-6  1.18540388E-9-6.83332601E-14    2
  -1.06296518E4  -8.69112396E1  -1.97396384E0  7.78641252E-2 -5.51856115E-5    3
  1.93459318E-8-2.65553891E-12  -2.46698943E3   4.04899267E1                   4
C6H12OH-1         -THERMH  13O   1C   6     G     300.0    5000.0  1374.0      1
   2.08351245E1  2.75160242E-2 -9.19212642E-6  1.40613856E-9-8.07910065E-14    2
  -2.54006048E4  -7.80442288E1   7.3046705E-1   6.8055389E-2 -3.71632261E-5    3
  8.47842648E-9-3.99384332E-13  -1.78478288E4   3.20923365E1                   4
C6H12OH-2         -THERMH  13O   1C   6     G     300.0    5000.0  1390.0      1
   2.05388853E1  2.82512269E-2 -9.53280388E-6  1.46688381E-9-8.45889133E-14    2
  -2.73356962E4   -7.6527846E1  2.03282633E-1  7.28935457E-2  -4.5920036E-5    3
   1.4511501E-8-1.81146964E-12  -2.00036461E4    3.3675165E1                   4
C6H12OH-3         -THERMH  13O   1C   6     G     300.0    5000.0  1390.0      1
   2.05388853E1  2.82512269E-2 -9.53280388E-6  1.46688381E-9-8.45889133E-14    2
  -2.73356962E4   -7.6527846E1  2.03282633E-1  7.28935457E-2  -4.5920036E-5    3
   1.4511501E-8-1.81146964E-12  -2.00036461E4    3.3675165E1                   4
O2C6H12OH-1       9-THRMH  13O   3C   6     G     300.0    5000.0  1395.0      1
   2.37745808E1  3.06705946E-2 -1.04669074E-5  1.62226472E-9-9.39991386E-14    2
  -4.49540557E4  -8.94862826E1   2.52250523E0  8.03363569E-2 -5.57536493E-5    3
  2.08636775E-8-3.29895205E-12  -3.74833645E4   2.47960934E1                   4
O2C6H12OH-2       9-THRMH  13O   3C   6     G     300.0    5000.0  1397.0      1
   2.46632042E1  2.99541594E-2 -1.02286047E-5  1.58601587E-9-9.19277798E-14    2
  -4.74127816E4  -9.48234723E1   1.59446253E0  8.62865587E-2 -6.42669164E-5    3
  2.57424275E-8-4.29953824E-12  -3.95691578E4   2.83298549E1                   4
O2C6H12OH-3       9-THRMH  13O   3C   6     G     300.0    5000.0  1397.0      1
   2.46632042E1  2.99541594E-2 -1.02286047E-5  1.58601587E-9-9.19277798E-14    2
  -4.74127816E4  -9.48234723E1   1.59446253E0  8.62865587E-2 -6.42669164E-5    3
  2.57424275E-8-4.29953824E-12  -3.95691578E4   2.83298549E1                   4
NC6KET12          -THERMH  12O   3C   6     G     300.0    5000.0  1431.0      1
   1.76692622E1  2.98180137E-2 -9.43179071E-6  1.38583919E-9-7.72738616E-14    2
  -4.67026645E4  -4.87302952E1   3.38273518E0  6.51971936E-2  -4.2784845E-5    3
  1.55394912E-8-2.34685173E-12  -4.20179622E4   2.71536226E1                   4
NC6KET13          -THERMH  12O   3C   6     G     300.0    5000.0  1387.0      1
   2.59328855E1  2.71799865E-2 -9.46340472E-6  1.48679538E-9 -8.6976569E-14    2
   -5.4144259E4  -1.02621676E2   2.36496601E0  8.28625471E-2 -6.12300153E-5    3
    2.409516E-8-3.97857713E-12  -4.58958895E4   2.39438215E1                   4
NC6KET14          -THERMH  12O   3C   6     G     300.0    5000.0  1387.0      1
   2.59328855E1  2.71799865E-2 -9.46340472E-6  1.48679538E-9 -8.6976569E-14    2
   -5.4144259E4  -1.02621676E2   2.36496601E0  8.28625471E-2 -6.12300153E-5    3
    2.409516E-8-3.97857713E-12  -4.58958895E4   2.39438215E1                   4
NC6KET15          -THERMH  12O   3C   6     G     300.0    5000.0  1387.0      1
   2.59328855E1  2.71799865E-2 -9.46340472E-6  1.48679538E-9 -8.6976569E-14    2
   -5.4144259E4  -1.02621676E2   2.36496601E0  8.28625471E-2 -6.12300153E-5    3
    2.409516E-8-3.97857713E-12  -4.58958895E4   2.39438215E1                   4
NC6KET21          -THERMH  12O   3C   6     G     300.0    5000.0  1380.0      1
   2.48977627E1  2.82099062E-2 -9.85249224E-6  1.55108568E-9-9.08649219E-14    2
  -5.53731276E4  -9.63947605E1   4.39221532E0  7.22001454E-2 -4.62914048E-5    3
  1.57162916E-8-2.30615915E-12  -4.76675282E4   1.54471571E1                   4
NC6KET23          -THERMH  12O   3C   6     G     300.0    5000.0  1388.0      1
   2.63430506E1  2.69861544E-2 -9.43297025E-6  1.48601772E-9-8.70977117E-14    2
  -5.78013235E4  -1.05866313E2 -1.35622858E-1   8.9879861E-2  -6.7697886E-5    3
  2.65961001E-8-4.32068174E-12  -4.86358432E4   3.60982792E1                   4
NC6KET24          -THERMH  12O   3C   6     G     300.0    5000.0  1386.0      1
   2.56847445E1  2.74782488E-2 -9.58627575E-6  1.50810536E-9-8.83051336E-14    2
  -5.79176568E4  -1.02009176E2    1.7325322E0  8.37365688E-2 -6.15876454E-5    3
   2.4118861E-8-3.97119823E-12  -4.94924385E4   2.67536906E1                   4
NC6KET25          -THERMH  12O   3C   6     G     300.0    5000.0  1386.0      1
   2.56847445E1  2.74782488E-2 -9.58627575E-6  1.50810536E-9-8.83051336E-14    2
  -5.79176568E4  -1.02009176E2    1.7325322E0  8.37365688E-2 -6.15876454E-5    3
   2.4118861E-8-3.97119823E-12  -4.94924385E4   2.67536906E1                   4
NC6KET26          -THERMH  12O   3C   6     G     300.0    5000.0  1383.0      1
   2.50574425E1  2.80369155E-2 -9.78501982E-6  1.53978046E-9-9.01766406E-14    2
   -5.5417483E4  -9.82500096E1    2.5893481E0  7.78460026E-2 -5.24513152E-5    3
  1.85689713E-8-2.78455147E-12  -4.72061155E4   2.36059697E1                   4
NC6KET31          -THERMH  12O   3C   6     G     300.0    5000.0  1383.0      1
   2.49194999E1  2.81507231E-2 -9.82266516E-6  1.54541788E-9-9.04929606E-14    2
  -5.54463958E4  -9.71141228E1   2.96919433E0  7.84436519E-2 -5.55361775E-5    3
   2.1358905E-8-3.52935948E-12  -4.75201133E4   2.14680944E1                   4
NC6KET32          -THERMH  12O   3C   6     G     300.0    5000.0  1387.0      1
   2.60960142E1  2.71703309E-2 -9.48970254E-6  1.49407399E-9-8.75315577E-14    2
   -5.7772947E4  -1.04067264E2  5.64144594E-1  8.90854292E-2 -6.89132035E-5    3
  2.83151935E-8-4.84139667E-12  -4.89978587E4   3.24785934E1                   4
NC6KET34          -THERMH  12O   3C   6     G     300.0    5000.0  1387.0      1
   2.60960142E1  2.71703309E-2 -9.48970254E-6  1.49407399E-9-8.75315577E-14    2
   -5.7772947E4  -1.04067264E2  5.64144594E-1  8.90854292E-2 -6.89132035E-5    3
  2.83151935E-8-4.84139667E-12  -4.89978587E4   3.24785934E1                   4
NC6KET35          -THERMH  12O   3C   6     G     300.0    5000.0  1385.0      1
   2.55125763E1  2.76136115E-2 -9.62969344E-6  1.51447067E-9-8.86568371E-14    2
  -5.79323622E4  -1.00670318E2   2.47172709E0  8.26409167E-2 -6.21054242E-5    3
  2.53063842E-8-4.36121469E-12   -4.9857995E4   2.29726065E1                   4
NC6KET36          -THERMH  12O   3C   6     G     300.0    5000.0  1383.0      1
   2.49194999E1  2.81507231E-2 -9.82266516E-6  1.54541788E-9-9.04929606E-14    2
  -5.54463958E4  -9.71141228E1   2.96919433E0  7.84436519E-2 -5.55361775E-5    3
   2.1358905E-8-3.52935948E-12  -4.75201133E4   2.14680944E1                   4
C3H6COCH3-1       6-THRMH   9O   1C   5     G     300.0    5000.0  1381.0      1
   1.58052948E1  2.12787457E-2 -7.31842496E-6  1.14049355E-9-6.63446381E-14    2
  -1.42827587E4  -5.34016678E1   2.00033269E0  4.96074565E-2   -2.874706E-5    3
   8.2666683E-9-9.51074212E-13  -9.01010845E3   2.22761791E1                   4
C2H5COC2H4P       6-THRMH   9O   1C   5     G     300.0    5000.0  1376.0      1
   1.62000827E1  2.05106647E-2 -6.96977982E-6   1.0782623E-9-6.24324406E-14    2
  -1.45067221E4   -5.5227261E1   2.39449461E0  4.98731839E-2 -3.07394387E-5    3
   9.9508026E-9-1.37570832E-12  -9.32123954E3   2.01162807E1                   4
C2H5COC2H3        -THERMH   8O   1C   5     G     300.0    5000.0  1387.0      1
   1.55916947E1  1.96028302E-2 -6.79737285E-6  1.06496015E-9-6.21767189E-14    2
  -2.55988351E4  -5.53302818E1  4.89126432E-1  5.49951823E-2 -3.96989101E-5    3
  1.55700373E-8-2.60070818E-12  -2.02458499E4   2.59411142E1                   4
NC4H9CO           -THERMH   9O   1C   5     G     300.0    5000.0  1382.0      1
   1.61782939E1   2.0799192E-2 -7.11787892E-6  1.10559975E-9-6.41697187E-14    2
  -1.66537752E4  -5.58943579E1   2.43530238E0  4.93682376E-2 -2.89883082E-5    3
  8.42863812E-9-9.68287172E-13  -1.14675541E4   1.92695879E1                   4
C2H3CHCHO         -THERMH   5O   1C   4     G     300.0    5000.0  1382.0      1
   1.24074059E1  1.27319711E-2 -4.47199396E-6 7.06819922E-10-4.15245536E-14    2
   1.71706585E3  -3.94039464E1 -8.77992983E-3  3.98630509E-2  -2.6613085E-5    3
  8.74644509E-9-1.14128759E-12   6.22475038E3   2.79591664E1                   4
C3H6COCH3-3       6-THRMH   9O   1C   5     G     300.0    5000.0  1389.0      1
   1.57976789E1  2.17091054E-2 -7.46487769E-6  1.16300253E-9-6.76366022E-14    2
  -1.89670489E4  -5.65047695E1  6.36829393E-1  5.50047719E-2 -3.53220538E-5    3
  1.18237807E-8-1.65550023E-12  -1.34221768E4   2.57839238E1                   4
PC2H4COC2H3       6-THRMH   7O   1C   5     G     300.0    5000.0  1404.0      1
   1.26732841E1  2.02366192E-2 -6.61089203E-6 9.93878746E-10-5.63457733E-14    2
   7.74011225E2  -3.54543594E1  7.62539679E-1  5.35805655E-2 -4.36465022E-5    3
  1.99232699E-8-3.73335386E-12     4.422608E3   2.66604751E1                   4
SC2H4COC2H3       6-THRMH   7O   1C   5     G     300.0    5000.0  1389.0      1
   1.58074213E1  1.69721022E-2 -5.91317608E-6 9.29449082E-10-5.43903161E-14    2
  -5.49230389E3  -5.69867205E1 -1.60114035E-1  5.57954071E-2 -4.31353298E-5    3
  1.76457444E-8-2.99384261E-12  -3.12060218E1   2.83440609E1                   4
C7H15O2-1         -THERMH  15O   2C   7     G     300.0    5000.0  1388.0      1
   2.52656556E1  3.50803587E-2 -1.21178801E-5  1.89360806E-9-1.10354125E-13    2
  -2.81113392E4  -1.00704794E2   1.20888552E0  8.84061706E-2  -5.7986126E-5    3
  2.03574689E-8-3.06460336E-12  -1.92918765E4   2.98117097E1                   4
C7H15O2-2         -THERMH  15O   2C   7     G     300.0    5000.0  1390.0      1
    2.6053564E1  3.43831688E-2 -1.18713247E-5  1.85450241E-9-1.08052399E-13    2
  -3.06842095E4  -1.05407563E2  3.55252917E-1  9.42381007E-2 -6.66955106E-5    3
  2.54795583E-8-4.13211105E-12  -2.15795254E4   3.29433435E1                   4
C7H15O2-3         -THERMH  15O   2C   7     G     300.0    5000.0  1390.0      1
    2.6053564E1  3.43831688E-2 -1.18713247E-5  1.85450241E-9-1.08052399E-13    2
  -3.06842095E4  -1.05407563E2  3.55252917E-1  9.42381007E-2 -6.66955106E-5    3
  2.54795583E-8-4.13211105E-12  -2.15795254E4   3.29433435E1                   4
C7H15O2H-1        -THERMH  16O   2C   7     G     300.0    5000.0  1388.0      1
   2.77185802E1  3.52624458E-2 -1.22144164E-5  1.91237244E-9-1.11602067E-13    2
   -4.6226732E4  -1.14955409E2  2.69178904E-1  9.71211877E-2 -6.59765921E-5    3
  2.35449071E-8-3.52849016E-12  -3.63451119E4   3.34740655E1                   4
C7H15O2H-2        -THERMH  16O   2C   7     G     300.0    5000.0  1390.0      1
   2.85706023E1  3.45345478E-2 -1.19627321E-5  1.87305198E-9-1.09312061E-13    2
  -4.88414901E4  -1.20064377E2 -6.02100521E-1  1.02885015E-1  -7.4342284E-5    3
  2.83646038E-8-4.51796063E-12  -3.86269481E4   3.67137899E1                   4
C7H15O2H-3        -THERMH  16O   2C   7     G     300.0    5000.0  1390.0      1
   2.85706023E1  3.45345478E-2 -1.19627321E-5  1.87305198E-9-1.09312061E-13    2
  -4.88414901E4  -1.20064377E2 -6.02100521E-1  1.02885015E-1  -7.4342284E-5    3
  2.83646038E-8-4.51796063E-12  -3.86269481E4   3.67137899E1                   4
C7H15O2H-4        -THERMH  16O   2C   7     G     300.0    5000.0  1390.0      1
   2.85706023E1  3.45345478E-2 -1.19627321E-5  1.87305198E-9-1.09312061E-13    2
  -4.88414901E4  -1.20753858E2 -6.02100521E-1  1.02885015E-1  -7.4342284E-5    3
  2.83646038E-8-4.51796063E-12  -3.86269481E4   3.60243083E1                   4
C7H15O2-4         -THERMH  15O   2C   7     G     300.0    5000.0  1390.0      1
    2.6053564E1  3.43831688E-2 -1.18713247E-5  1.85450241E-9-1.08052399E-13    2
  -3.06842095E4  -1.06097045E2  3.55252917E-1  9.42381007E-2 -6.66955106E-5    3
  2.54795583E-8-4.13211105E-12  -2.15795254E4   3.22538619E1                   4
C7H13O1-3         -THERMH  13O   1C   7     G     300.0    5000.0  1392.0      1
   2.53923888E1  2.67015459E-2 -8.93162555E-6  1.36776722E-9-7.86546152E-14    2
  -1.31992107E4  -1.04485728E2  -2.97186844E0  9.50411096E-2 -7.14210586E-5    3
  2.71211636E-8 -4.1121098E-12  -3.69998874E3   4.68736292E1                   4
C7H13O2-4         -THERMH  13O   1C   7     G     300.0    5000.0  1389.0      1
   2.48888884E1  2.71728188E-2 -9.10354489E-6   1.3955538E-9-8.03103189E-14    2
  -1.45377934E4  -1.02121928E2  -2.38155227E0  9.12476056E-2 -6.58712429E-5    3
  2.39221243E-8-3.45819168E-12  -5.23001862E3   4.39988302E1                   4
C7H13O3-5         -THERMH  13O   1C   7     G     300.0    5000.0  1393.0      1
   2.46614185E1   2.7153197E-2 -9.04971128E-6  1.38224414E-9-7.93365017E-14    2
  -1.43669878E4  -1.00409922E2  -4.04764701E0  9.94962377E-2 -7.94282837E-5    3
  3.26919568E-8-5.42561898E-12  -5.01665573E3   5.17524548E1                   4
C7H15O-1          -THERMH  15O   1C   7     G     300.0    5000.0  1391.0      1
   2.36489937E1  3.38195865E-2 -1.15717686E-5  1.79692111E-9-1.04265757E-13    2
  -2.65280214E4  -9.48882293E1 -4.59189934E-1  8.74464647E-2 -5.69015135E-5    3
  1.92195908E-8-2.68753465E-12  -1.78233113E4    3.5647517E1                   4
C7H15O-2          -THERMH  15O   1C   7     G     300.0    5000.0  1395.0      1
   2.43070968E1  3.31267815E-2 -1.13034023E-5  1.75198875E-9-1.01526945E-13    2
  -2.88623481E4   -9.8736086E1  -1.09087925E0  9.23217022E-2 -6.44477835E-5    3
  2.36808474E-8-3.61067567E-12  -1.99926675E4   3.77738325E1                   4
C7H15O-3          -THERMH  15O   1C   7     G     300.0    5000.0  1395.0      1
   2.43070968E1  3.31267815E-2 -1.13034023E-5  1.75198875E-9-1.01526945E-13    2
  -2.88623481E4   -9.8736086E1  -1.09087925E0  9.23217022E-2 -6.44477835E-5    3
  2.36808474E-8-3.61067567E-12  -1.99926675E4   3.77738325E1                   4
C7H15O-4          -THERMH  15O   1C   7     G     300.0    5000.0  1395.0      1
   2.43070968E1  3.31267815E-2 -1.13034023E-5  1.75198875E-9-1.01526945E-13    2
  -2.88623481E4  -9.94255677E1  -1.09087925E0  9.23217022E-2 -6.44477835E-5    3
  2.36808474E-8-3.61067567E-12  -1.99926675E4   3.70843509E1                   4
C5H9O1-5          -THERMH   9O   1C   5     G     300.0    5000.0  1394.0      1
   1.62564642E1  2.10561226E-2 -7.18323965E-6  1.11331434E-9-6.45162851E-14    2
  -2.41003213E3  -5.69404193E1 -6.08379884E-1  6.09139191E-2  -4.3639512E-5    3
  1.64966933E-8-2.58694444E-12   3.42450558E3   3.35104649E1                   4
OC6H4O            -THERMH   4O   2C   6     G     300.0    5000.0  1390.0      1
   1.89272866E1  1.34964071E-2   -4.819662E-6 7.70239742E-10-4.56003968E-14    2
  -2.39344268E4  -7.98144011E1  -3.40668328E0  6.96410107E-2 -5.94147062E-5    3
  2.51063875E-8-4.21953602E-12  -1.66350329E4   3.86278633E1                   4
! [_ SMILES="C[CH]C=C" _]
! [_ INCHI="INCHI=1/C4H7/C1-3-4-2/H3-4H,1H2,2H3" _]
! [_ CAS="65338-31-0" _]
C4H7                    H   7C   4          G     300.0    5000.0  1392.0      1
   1.12103578E1  1.60483196E-2 -5.46502292E-6 8.45941053E-10-4.89772739E-14    2
   1.09041937E4  -3.55593015E1 -3.50508352E-1  4.26511243E-2 -2.90979373E-5    3
  1.05403914E-8-1.60059854E-12   1.49933591E4   2.67295696E1                   4
SC3H5COCH2        -THERMH   7O   1C   5     G     300.0    5000.0  1392.0      1
   1.53211861E1  1.76047889E-2 -6.08492548E-6 9.51325102E-10-5.54616651E-14    2
  -5.29356813E3  -5.48676823E1  1.82685841E-1  5.43141179E-2 -4.11350963E-5    3
  1.66072848E-8-2.79157742E-12  -1.08451865E2   2.60629611E1                   4
CXOCCCJXO         -THERMH   5O   2C   4     G     300.0    5000.0  1369.0      1
   1.39398821E1    1.307685E-2 -4.49050064E-6 6.99619378E-10-4.07081554E-14    2
   -2.2157265E4  -4.08348854E1   5.26873651E0   2.9623202E-2 -1.54390995E-5    3
  3.50877521E-9-2.31149542E-13  -1.87116524E4   7.15918873E0                   4
FLUORENE                C  13H  10          G    300.00   5000.00 1000.00      1
 2.31612871E+01 3.92128530E-02-1.25431510E-05 1.33503890E-09 0.00000000E+00    2
 1.23102892E+04-1.03717257E+02-1.12092800E+01 1.29847800E-01-9.07013380E-05    3
 2.32288460E-08 0.00000000E+00 2.19426600E+04 7.48524200E+01                   4
C14H10                  C  14H  10          G    300.00   5000.00 1387.00      1
 3.35905687E+01 3.03999884E-02-1.05869652E-05 1.66527782E-09-9.75498585E-14    2
 3.04676726E+04-1.56193464E+02-8.67061479E+00 1.30751909E-01-1.00532524E-04    3
 3.78085301E-08-5.59154283E-12 4.47563353E+04 6.98275686E+01                   4
C16H10                  C  16H  10          G    300.00   5000.00 1000.00      1
 2.90747022E+01 4.12337670E-02-1.26077060E-05 1.27453580E-09 0.00000000E+00    2
 1.41687238E+04-1.36431347E+02-1.06811200E+01 1.46535400E-01-1.03943520E-04    3
 2.70645390E-08 0.00000000E+00 2.52715000E+04 6.99617500E+01                   4
IC3H7COC2H4P 2/22/96 TRMC   6H  11O   1    0G   300.000  5000.000 1388.000    51
 1.91427169E+01 2.57997569E-02-8.90698843E-06 1.39139804E-09-8.10704551E-14    2
-1.95812003E+04-7.12754331E+01 1.85792567E-01 6.85681889E-02-4.63201856E-05    3
 1.66403586E-08-2.53394238E-12-1.27405850E+04 3.12500304E+01                   4
C2H3COC3H7              C   6H  10O   1     G    300.00   5000.00 1388.00      1
 .186909693E+02 .241939465E-01-.838233377E-05 .131252224E-08-.765989643E-13    2
-.295692017E+05-.705828250E+02 .446467269E+00 .664586762E-01-.470073659E-04    3
 .179961137E-07-.293748963E-11-.230628492E+05 .277541300E+02                   4
PC7H13-O   6/25/99 THERMC   7H  13    0    0G   300.000  5000.000 1399.000    41
 2.24239478E+01 2.77773712E-02-9.43034332E-06 1.45721528E-09-8.42812364E-14    2
-4.46272573E+03-9.79639287E+01-4.14452445E+00 9.22987225E-02-6.95252835E-05    3
 2.69504089E-08-4.23040646E-12 4.44515847E+03 4.37314430E+01                   4
NEOC5H11CHO 2/22/96 THRMC   6H  12O   1    0G   300.000  5000.000 1389.000    51
 2.18201927E+01 2.52377174E-02-8.54143105E-06 1.31748241E-09-7.61162071E-14    2
-4.30014287E+04-9.04886577E+01-8.55055790E-01 7.84141706E-02-5.61118726E-05    3
 2.06552815E-08-3.09316611E-12-3.51846120E+04 3.11579584E+01                   4
IC4H9COCH3 2/22/96 THERMC   6H  12O   1    0G   300.000  5000.000 1385.000    51
 1.96716027E+01 2.76137871E-02-9.47281007E-06 1.47372073E-09-8.56287665E-14    2
-4.46968524E+04-7.70860283E+01 2.15842829E-01 6.95990530E-02-4.36127297E-05    3
 1.40149197E-08-1.85871558E-12-3.75149674E+04 2.87655890E+01                   4
XC7H14O-YO2H 2/26/98 TRMC   7H  15O   3    0G   300.000  5000.000 1398.000    81
 2.97954594E+01 3.28188871E-02-1.12214443E-05 1.74177079E-09-1.01037784E-13    2
-4.37523689E+04-1.24514081E+02 2.82992062E-01 1.06022227E-01-8.20307634E-05    3
 3.33857343E-08-5.57143734E-12-3.39138998E+04 3.24994986E+01                   4
NEOC5H9Q2-N 7/19/ 0 THRMC   5H  11O   4    0G   300.000  5000.000 1389.000    81
 2.84283606E+01 2.23619635E-02-7.86547442E-06 1.24430912E-09-7.31466295E-14    2
-3.05855190E+04-1.16031982E+02 2.05191235E+00 8.76308565E-02-7.11248833E-05    3
 2.97224410E-08-5.05675432E-12-2.17504634E+04 2.44010834E+01                   4
END