CHCHO              2   436.000     3.970     0.000     0.000     2.000 

AR                 0   136.500     3.330     0.000     0.000     0.000
RR                 0   136.500     3.330     0.000     0.000     0.000
AS                 0  1045.500     4.580     0.000     0.000     0.000 ! MEC
ASH                1   199.300     4.215     0.000     0.000     1.000 ! MEC
ASH2               2   229.600     4.180     0.000     0.000     1.000 ! MEC 
C                  0    71.400     3.298     0.000     0.000     0.000 ! *
C2                 1    97.530     3.621     0.000     1.760     4.000
C2O                1   232.400     3.828     0.000     0.000     1.000 ! *
CN2                1   232.400     3.828     0.000     0.000     1.000 ! OIS
C2H                1   265.300     3.721     0.000     0.000     2.500 ! NMM
C2H2               1   265.300     3.721     0.000     0.000     2.500 ! NMM
C2H2OH             2   224.700     4.162     0.000     0.000     1.000 ! *
C2H3               2   265.300     3.721     0.000     0.000     1.000 ! NMM 
C2H4               2   238.400     3.496     0.000     0.000     1.500 ! NMM
C2H5               2   247.500     4.350     0.000     0.000     1.500 ! NMM
HOCH2O             2   470.600     4.410     0.000     0.000     1.500 ! WJP
O2C2H4O2H          2   470.600     4.410     0.000     0.000     1.500 ! WJP
C2H5O2             2   470.600     4.410     0.000     0.000     1.500 ! WJP    
C2H5O2H            2   470.600     4.410     0.000     0.000     1.500 ! WJP    
C2H5O              2   470.600     4.410     0.000     0.000     1.500 ! NMM
PC2H4OH            2   470.600     4.410     0.000     0.000     1.500 ! NMM
SC2H4OH            2   470.600     4.410     0.000     0.000     1.500 ! NMM
O2C2H4OH           2   523.2       5.664     1.7       0.0       1.0   ! WJP
C2H4O              2   436.000     3.970     0.000     0.000     2.000 !=CH3HCO konnov
C2H4O1,2           2   387.3       4.349     0.000     0.000     1.500 ! WJP
C2H6               2   247.500     4.350     0.000     0.000     1.500 ! NMM
C2N                1   232.400     3.828     0.000     0.000     1.000 ! OIS
C2N2               1   349.000     4.361     0.000     0.000     1.000 ! OIS
C3H2               2   209.000     4.100     0.000     0.000     1.000 ! *
C3H2(S)            2   209.000     4.100     0.000     0.000     1.000 ! *
C3H3               1   324.800     4.290     0.000     0.000     1.000 ! NMM
C4H3               1   357.000     4.720     0.000     0.000     1.000 ! NMM
C3H4O              2   443.200     4.120     0.000     0.000     1.000 ! NMM
CHCHCHO            2   443.200     4.120     0.000     0.000     1.000 ! NMM
HCCCHO             2   443.200     4.120     0.000     0.000     1.000 ! NMM
HCCCO              2   443.200     4.120     0.000     0.000     1.000 ! NMM
H2CCHCO            2   443.200     4.120     0.000     0.000     1.000 ! NMM
CH3CCO             2   443.200     4.120     0.000     0.000     1.000 ! NMM
CH3CHCO            2   443.200     4.120     0.000     0.000     1.000 ! NMM
CH2CHCO            2   443.200     4.120     0.000     0.000     1.000 ! NMM
C2H3CO             2   443.200     4.120     0.000     0.000     1.000 ! NMM
!C2H5CHO            2   424.600     4.820     0.000     0.000     1.000 ! NMM
CH2CH2CHO          2   424.600     4.820     0.000     0.000     1.000 ! NMM
C2H5CO             2   424.600     4.820     0.000     0.000     1.000 ! NMM
CH3COCH3           2   435.500     4.860     0.000     0.000     1.000 ! NMM
CH3COCH2           2   435.500     4.860     0.000     0.000     1.000 ! NMM
C3H4               1   324.800     4.290     0.000     0.000     1.000 ! NMM
AC3H4              1   324.800     4.290     0.000     0.000     1.000 ! NMM
C3H4-A             1   324.800     4.290     0.000     0.000     1.000 ! NMM
PC3H4              1   324.800     4.290     0.000     0.000     1.000 ! NMM 
C3H4-P             1   324.800     4.290     0.000     0.000     1.000 ! NMM 
C3H4C              2   324.800     4.290     0.000     0.000     1.000 ! NMM
C3H6               2   307.800     4.140     0.000     0.000     1.000 ! NMM
C3H6OH             2   487.900     4.820     0.000     0.000     1.000 ! NMM
HOC3H6O2           2   487.900     4.820     0.000     0.000     1.000 ! NMM
!C3H6O              2   411.000     4.820     0.000     0.000     1.000 ! NMM 
C3H5O              2   411.000     4.820     0.000     0.000     1.000 ! NMM
C3H7               2   303.400     4.810     0.000     0.000     1.000 ! NMM
C4H6               2   357.000     4.720     0.000     0.000     1.000 ! NMM
I-C3H7             2   303.400     4.810     0.000     0.000     1.000 ! NMM
N-C3H7             2   303.400     4.810     0.000     0.000     1.000 ! NMM
NC3H7              2   303.400     4.810     0.000     0.000     1.000 ! NMM
!IC3H7O             2   468.300     4.760     0.000     0.000     1.000 ! NMM
!NC3H7O             2   487.900     4.820     0.000     0.000     1.000 ! NMM
C3H8               2   303.400     4.810     0.000     0.000     1.000 ! NMM
C4H                1   357.000     4.720     0.000     0.000     1.000 ! NMM
C4H2               1   357.000     4.720     0.000     0.000     1.000 ! NMM
C4H2OH             2   224.700     4.162     0.000     0.000     1.000 ! *
CH3CHCCH           2   355.000     4.650     0.000     0.000     1.000 ! NMM
IC4H7              2   355.000     4.650     0.000     0.000     1.000 ! NMM
C4H7               2   355.000     4.650     0.000     0.000     1.000 ! NMM
C4H71-4            2   355.000     4.650     0.000     0.000     1.000 ! C4H8 WJP
C4H8               2   355.000     4.650     0.000     0.000     1.000 ! NMM
C4H8-1             2   355.000     4.650     0.000     0.000     1.000 ! NMM
C4H8-2             2   355.000     4.650     0.000     0.000     1.000 ! NMM
!IC4H8              2   355.000     4.650     0.000     0.000     1.000 ! NMM
PC4H9              2   352.000     5.240     0.000     0.000     1.000 ! NMM
C4H9               2   352.000     5.240     0.000     0.000     1.000 ! NMM
SC4H9              2   352.000     5.240     0.000     0.000     1.000 ! NMM
TC4H9              2   352.000     5.240     0.000     0.000     1.000 ! NMM
IC4H9              2   352.000     5.240     0.000     0.000     1.000 ! NMM
PC4H9O             2   496.000     5.200     0.000     0.000     1.000 ! NMM
TC4H9O             2   496.000     5.200     0.000     0.000     1.000 ! NMM
SC4H9O             2   496.000     5.200     0.000     0.000     1.000 ! NMM
IC4H9O             2   496.000     5.200     0.000     0.000     1.000 ! NMM
PC4H9O2            2   496.000     5.200     0.000     0.000     1.000 ! WJP
SC4H9O2            2   496.000     5.200     0.000     0.000     1.000 ! WJP
PC4H9O2H           2   496.000     5.200     0.000     0.000     1.000 ! WJP
SC4H9O2H           2   496.000     5.200     0.000     0.000     1.000 ! WJP
IC4H8OH            2   496.000     5.200     0.000     0.000     1.000 ! NMM
C4H8OH-1           2   496.000     5.200     0.000     0.000     1.000 ! WJP 
C4H8OH-2           2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8O1-2           2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8O1-3           2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8O1-4           2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8O2-3           2   496.000     5.200     0.000     0.000     1.000 ! WJP
!IC4H7OH            2   496.000     5.200     0.000     0.000     1.000 ! NMM
O2C4H8OH-1         2   496.000     5.200     0.000     0.000     1.000 ! WJP
O2C4H8OH-2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH1-2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH1-3         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH1-4         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH2-1         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH2-3         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH2-4         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH1-2O2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH1-3O2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH1-4O2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH2-1O2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH2-3O2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
C4H8OOH2-4O2         2   496.000     5.200     0.000     0.000     1.000 ! WJP
IO2C4H8OH          2   496.000     5.200     0.000     0.000     1.000 ! *
C4H7O              2   496.000     5.200     0.000     0.000     1.000 ! NMM
IC4H7O             2   496.000     5.200     0.000     0.000     1.000 ! NMM
!C4H10              2   352.000     5.240     0.000     0.000     1.000 ! NMM
!IC4H10             2   352.000     5.240     0.000     0.000     1.000 ! NMM
C5H2               1   408.000     5.200     0.000     0.000     1.000 ! NMM
C5H3               1   408.000     5.200     0.000     0.000     1.000 ! NMM
C5H5               1   408.000     5.200     0.000     0.000     1.000 ! NMM
C5H6               1   408.000     5.200     0.000     0.000     1.000 ! NMM
C5H7               2   408.000     5.200     0.000     0.000     1.000 ! NMM
CYC5H7             2   408.000     5.200     0.000     0.000     1.000 !
C5H8               2   408.000     5.200     0.000     0.000     1.000 ! NMM
C6H2               1   408.000     5.200     0.000     0.000     1.000 ! NMM
C6H4               2   412.300     5.349     0.000     0.000     1.000 ! JAM
C6H5               2   412.300     5.349     0.000     0.000     1.000 ! JAM
C6H5(L)            2   412.300     5.349     0.000     0.000     1.000 ! JAM
C6H5OH             2   450.000     5.500     0.000     0.000     1.000 ! NMM
C6H5O              2   450.000     5.500     0.000     0.000     1.000 ! JAM
OKETPHNL           2   450.000     5.500     0.000     0.000     1.000 !
C6H4O2             2   450.000     5.500     0.000     0.000     1.000
C5H4O              2   450.000     5.500     0.000     0.000     1.000 ! NMM
C5H4OH             2   450.000     5.500     0.000     0.000     1.000 ! NMM
C5H5O              2   450.000     5.500     0.000     0.000     1.000 ! NMM
C5H5OH             2   450.000     5.500     0.000     0.000     1.000 ! NMM 
LC6H5              2   426.300     5.510     0.000     0.000     1.000
LC3H3C3H2          2   426.300     5.510     0.000     0.000     1.000 
LC3H4C3H2          2   426.300     5.510     0.000     0.000     1.000
LC3H3C3H3          2   426.300     5.510     0.000     0.000     1.000
C6H6               2   468.500     5.230     0.000     10.30     1.000 ! NMM 
C6H7               2   468.500     5.230     0.000     0.000     1.000 ! NMM 
CYC6H7             2   468.500     5.230     0.000     0.000     1.000 ! NMM
CYC6H8             2   468.500     5.230     0.000     0.000     1.000 ! NMM
C6H5CH2            2   495.300     5.680     0.000     0.000     1.000 ! NMM
C6H5CH3            2   495.300     5.680     0.430     12.30     1.000 ! NMM
C6H4CH3            2   495.300     5.680     0.000     0.000     1.000 ! NMM
CH3C6H4            2   495.300     5.680     0.000     0.000     1.000 ! NMM
C6H5CO             2   622.400     5.530     0.000     0.000     1.000 ! NMM
C6H5CHO            2   622.400     5.530     0.000     0.000     1.000 ! NMM
C6H5CH2OH          2   622.400     5.530     0.000     0.000     1.000 ! NMM
OC6H4CH3           2   621.100     5.640     0.000     0.000     1.000 ! NMM
HOC6H4CH3          2   621.100     5.640     0.000     0.000     1.000 ! NMM
XYLYLENE           2   523.600     6.182     0.000     0.000     1.000
XYLYLRAD           2   523.600     6.182     0.000     0.000     1.000  
C6H5C2H5           2   523.600     5.960     0.000     0.000     1.000 ! NMM 
ACH3C2H3           2   523.600     5.960     0.000     0.000     1.000
ACH3C2H5           2   523.600     5.960     0.000     0.000     1.000
ACH2RC2H3          2   523.600     5.960     0.000     0.000     1.000
ACH3CH3            2   523.600     5.960     0.000     0.000     1.000 !
ACH3RCH2           2   523.600     5.960     0.000     0.000     1.000
C6H9               2   426.300     5.510     0.000     0.000     1.000 ! NMM
C6H10              2   426.300     5.510     0.000     0.000     1.000 ! NMM
C8H14              2   494.000     6.170     0.000     0.000     1.000 ! NMM
C8H16-C            2   538.1       6.112     0.0       0.0       1.0   ! TCPC
C8H16-1-5          2   511.5       6.297     0.0       0.0       1.0   ! TCPC
!IC8H14             2   494.000     6.170     0.000     0.000     1.000 ! NMM
C6H5C2H3           2   546.200     6.000     0.130     15.00     1.000 ! NMM
C6H5CHCH           2   546.200     6.000     0.000     0.000     1.000 ! NMM
C6H5CCH2           2   546.200     6.000     0.000     0.000     1.000
C6H5C2H            2   534.300     5.710     0.770     0.000     1.000 ! NMM
C6H5C2             2   534.300     5.710     0.000     0.000     1.000 ! NMM
C6H4C2H3           2   546.200     6.000     0.000     0.000     1.000 ! NMM
C6H4C2H            2   534.300     5.710     0.000     0.000     1.000 ! NMM
AAC2H5             2   695.000     6.530     0.000     0.000     1.000
AAC2H3             2   689.800     6.500     0.000     0.000     1.000
AARCCH2            2   689.800     6.500     0.000     0.000     1.000
AACCH              2   689.800     6.500     0.000     0.000     1.000
ARACCH             2   689.800     6.500     0.000     0.000     1.000
ARAC2H3            2   687.200     6.490     0.000     0.000     1.000
C6H5CCO            2   588.200     5.940     0.000     0.000     1.0001
C10H7              2   630.400     6.180     0.000     0.000     1.000 ! NMM
C10H7O             2   630.400     6.180     0.000     0.000     1.000 ! NMM 
AC2H3C2H5          2   630.400     6.180     0.000     0.000     1.000
AC2H3C2H3          2   630.400     6.180     0.000     0.000     1.000
C10H8              2   630.400     6.180     0.000     16.50     1.000 ! NMM
C10H9              2   630.400     6.180     0.000     0.000     1.000 ! NMM
C10H10             2   630.400     6.180     0.000     0.000     1.000 ! NMM
C10H7CH2           2   660.00      6.350     0.000     0.000     1.000 ! NMM
AACH3CH2           2   660.0       6.350     0.000     0.000     1.000
C10H7OH            2   663.45      6.362     0.000     0.000     1.000
C10H7CH3           2   660.0       6.350     0.000     0.000     1.000 ! NMM   
FLRNTHN            2   812.3       7.170     0.000     0.000     1.000 ! NMM
ACEPHEN            2   812.3       7.170     0.000     0.000     1.000
ANTHRACN           2   772.0       6.960     0.000     25.40     1.000 ! NMM
CH3INDENE          2   625.0       6.150     0.000     0.000     1.000
CH3INDENYL         2   625.0       6.150     0.000     0.000     1.000
AAACH3             2   783.9       6.995     0.000     0.000     1.000
P1HENANOL          2   783.9       6.995     0.000     0.000     1.000
P5HENANOL          2   783.9       6.995     0.000     0.000     1.000
P1HANOXY           2   783.9       6.995     0.000     0.000     1.000
P5HANOXY           2   783.9       6.995     0.000     0.000     1.000     
AAARCH2            2   783.9       6.995     0.000     0.000     1.000 
AAAC2H5            2   816.6       7.160     0.000     0.000     1.000 
AAAC2H3            2   812.0       7.137     0.000     0.000     1.000
PHNTHRN            2   772.0       6.960     0.000     38.80     1.000
PENTANAPH          2   772.0       6.960     0.000     0.000     1.000
PENAPRAD           2   772.0       6.960     0.000     0.000     1.000   
P1HNTHRNYL         2   772.0       6.960     0.000     38.80     1.000 ! NMM
P5HNTHRNYL         2   772.0       6.960     0.000     38.80     1.000
PYRENE             2   834.9       7.240     0.000     0.000     1.000 ! NMM
CY5PYREN           2   862.0       7.382     0.000     0.000     1.000
H4PENTDEF          2   834.9       7.240     0.000     0.000     1.000
H4PDFRAD           2   834.9       7.240     0.000     0.000     1.000
PYRENYL            2   834.9       7.240     0.000     0.000     1.000 ! NMM
DHPYRENE           2   834.9       7.240     0.000     0.000     1.000
BENZOAP            2   832.5       7.550     1.400     0.000     1.000 ! NMM
SMILEY             2   832.5       7.550     0.000     0.000     1.000
BENZOGHI           2   832.5       7.550     0.000     0.000     1.000
CPENTACD           2   832.5       7.550     0.000     0.000     1.000
ACEC10H8           2   695.4       6.760     0.000     0.000     1.000 ! NMM
ACEC10H7           2   695.4       6.760     0.000     0.000     1.000
INDENE             2   588.6       5.960     0.650     0.000     1.000 ! NMM
INDENYL            2   588.6       5.960     0.000     0.000     1.000 ! NMM
CH3NDENE           2   588.6       5.960     0.000     0.000     1.000 ! NMM
CH3NDNYL           2   588.6       5.960     0.000     0.000     1.000 ! NMM
CH3FLRNE           2   712.6       6.890     0.000     0.000     1.000
CH3FLRNL           2   712.6       6.890     0.000     0.000     1.000
FLRENE             2   712.6       6.890     0.000     0.000     1.000
FLRNYLP            2   712.6       6.890     0.000     0.000     1.000
FLRNYLA            2   712.6       6.890     0.000     0.000     1.000
CH2FLRNE           2   712.6       6.890     0.000     0.000     1.000       
C6H5C5H5           2   783.800     6.640     0.000     0.000     1.000
C6H5C5H4           2   783.800     6.640     0.000     0.000     1.000
BIBENZYL           2   783.800     6.640     0.000     0.000     1.000 ! NMM
STILBENE           2   772.0       6.960     0.000     0.000     1.000 ! NMM
STILBNRD           2   772.0       6.960     0.000     0.000     1.000 ! NMM 
DHANTHRN           2   772.0       6.960     0.000     0.000     1.000 
OBZYLTOL           2   772.0       6.960     0.000     0.000     1.000
OBZYLTLR           2   772.0       6.960     0.000     0.000     1.000
DMDP               2   712.6       6.890     0.000     0.000     1.000
DMDPRD             2   712.6       6.890     0.000     0.000     1.000
CH                 1    80.000     2.750     0.000     0.000     0.000
CH2                1   144.000     3.800     0.000     0.000     0.000
T-CH2              1   144.000     3.800     0.000     0.000     0.000
SCH2               1   144.000     3.800     0.000     0.000     0.000
S-CH2              1   144.000     3.800     0.000     0.000     0.000
CH2CHCCH           2   373.700     4.790     0.000     0.000     1.000 ! NMM 
CH2CHCCH2          2   373.700     4.790     0.000     0.000     1.000 ! NMM 
CH3CHCCH2          2   357.100     4.720     0.000     0.000     1.000 
CH2CH2CCH          2   373.700     4.790     0.000     0.000     1.000 ! NMM
CH2CHCH2           2   316.000     4.220     0.000     0.000     1.000 ! NMM 
C3H5               2   316.000     4.220     0.000     0.000     1.000
AC3H5              2   316.000     4.220     0.000     0.000     1.000
C3H5-A             2   316.000     4.220     0.000     0.000     1.000 
CH2CHCHCH          2   357.100     4.720     0.000     0.000     1.000 ! NMM 
CHCHCHCH           2   357.100     4.720     0.000     0.000     1.000 ! NMM 
CH2CHCHCH2         2   357.100     4.720     0.000     0.000     1.000 ! NMM 
CH2CO              2   436.000     3.970     0.000     0.000     2.000
C2H3O1,2           2   436.000     3.970     0.000     0.000     2.000 ! WJP
CH2O               2   498.000     3.590     0.000     0.000     2.000
OCHO               2   498.000     3.590     0.000     0.000     2.000 ! WJP
HCOH               2   498.000     3.590     0.000     0.000     1.000
H2CO               2   498.000     3.590     0.000     0.000     2.000
CH2OH              2   417.000     3.690     1.700     0.000     2.000
CH2HCO             2   436.000     3.970     0.000     0.000     2.000
CH2CHO             2   436.000     3.970     0.000     0.000     2.000
CHOCHO             1   440.200     4.010     0.000     0.000     2.000 ! NMM
CHOCO              1   440.200     4.010     0.000     0.000     2.000 ! NMM
HCO2H              2   481.800     3.626     1.7       0.000     1.000 ! CH3OH
CH3                1   144.000     3.800     0.000     0.000     0.000
CH3CC              2   252.000     4.760     0.000     0.000     1.000 ! JAM
!CH3CHCCH           2   373.700     4.790     0.000     0.000     1.000 ! NMM
CH3CCCH2           2   357.100     4.720     0.000     0.000     1.000 ! NMM 
CH3CCCH3           2   357.100     4.720     0.000     0.000     1.000 ! NMM 
CH3CCH2            2   316.000     4.220     0.000     0.000     1.000 ! NMM 
TC3H5              2   316.000     4.220     0.000     0.000     1.000 
C3H5-T             2   316.000     4.220     0.000     0.000     1.000 
CH3CHCH            2   316.000     4.220     0.000     0.000     1.000 ! NMM 
SC3H5              2   316.000     4.220     0.000     0.000     1.000
C3H5-S             2   316.000     4.220     0.000     0.000     1.000
CH3CH2CCH          2   357.100     4.720     0.000     0.000     1.000 ! NMM 
CH3HCO             2   436.000     3.970     0.000     0.000     2.000
CH3CHO             2   436.000     3.970     0.000     0.000     2.000
HOCHO              2   436.000     3.970     0.000     0.000     2.000 ! WJP
CH3CO              2   436.000     3.970     0.000     0.000     2.000
CH3CO2             2   436.000     3.970     0.000     0.000     2.000 ! WJP
CH3CO3             2   436.000     3.970     0.000     0.000     2.000 ! WJP
CH3CO3H            2   436.000     3.970     0.000     0.000     2.000 ! WJP
HO2CHO             2   436.000     3.970     0.000     0.000     2.000 ! WJP
O2CHO              2   436.000     3.970     0.000     0.000     2.000 ! WJP
CH3O               2   417.000     3.690     1.700     0.000     2.000
CH3OH              2   481.800     3.626     0.000     0.000     1.000 ! SVE
CH3O2              2   481.800     3.626     0.000     0.000     1.000 ! WJP
CH3O2H             2   481.800     3.626     0.000     0.000     1.000 ! WJP
CH4                2   141.400     3.746     0.000     2.600    13.000
CH4O               2   417.000     3.690     1.700     0.000     2.000
CN                 1    75.000     3.856     0.000     0.000     1.000 ! OIS
CNC                1   232.400     3.828     0.000     0.000     1.000 ! OIS
CNN                1   232.400     3.828     0.000     0.000     1.000 ! OIS
CO                 1    98.100     3.650     0.000     1.950     1.800
CO2                1   244.000     3.763     0.000     2.650     2.100
F                  0    80.000     2.750     0.000     0.000     0.000
F2                 1   125.700     3.301     0.000     1.600     3.800
H                  0   145.000     2.050     0.000     0.000     0.000
GAH                1   335.500     4.240     0.000     0.000     1.000 ! MEC
H2C4O              2   357.000     5.180     0.000     0.000     1.000 ! JAM
H2                 1    38.000     2.920     0.000     0.790   280.000
H2CCC              2   265.300     3.721     0.000     0.000     1.000 ! *
H2CCC(S)           2   265.300     3.721     0.000     0.000     1.000 ! *
H2CCCH             2   252.000     4.760     0.000     0.000     1.000 ! JAM
H2CCCCH            2   357.100     4.720     0.000     0.000     1.000 ! NMM 
H2CCCCH2           2   357.100     4.720     0.000     0.000     1.000 ! NMM 
H2CCCCCH           1   408.000     5.200     0.000     0.000     1.000 ! NMM
H2CN               1   569.000     3.630     0.000     0.000     1.000 ! OS/JM
H2NO               2   116.700     3.492     0.000     0.000     1.000 ! JAM
H2O                2   572.400     2.605     1.844     0.000     4.000
H2O2               2   107.400     3.458     0.000     0.000     3.800
H2S                2   301.000     3.600     0.000     0.000     1.000 ! OIS
HC2N2              1   349.000     4.361     0.000     0.000     1.000 ! OIS
HCCHCCH            2   357.100     4.720     0.000     0.000     1.000 ! NMM 
HCCO               2   150.000     2.500     0.000     0.000     1.000 ! *
HCCOH              2   436.000     3.970     0.000     0.000     2.000
HCCCHCCH           1   408.000     5.200     0.000     0.000     1.000 ! NMM
HCN                1   569.000     3.630     0.000     0.000     1.000 ! OIS
HCO                2   498.000     3.590     0.000     0.000     0.000
CHO                2   498.000     3.590     0.000     0.000     0.000
HCO+               1   498.000     3.590     0.000     0.000     0.000
HE                 0    10.200     2.576     0.000     0.000     0.000 ! *
HF                 1   330.000     3.148     1.920     2.460     1.000 ! SV/MEC
HF0                1   352.000     2.490     1.730     0.000     5.000
HF1                1   352.000     2.490     1.730     0.000     5.000
HF2                1   352.000     2.490     1.730     0.000     5.000
HF3                1   352.000     2.490     1.730     0.000     5.000
HF4                1   352.000     2.490     1.730     0.000     5.000
HF5                1   352.000     2.490     1.730     0.000     5.000
HF6                1   352.000     2.490     1.730     0.000     5.000
HF7                1   352.000     2.490     1.730     0.000     5.000
HF8                1   352.000     2.490     1.730     0.000     5.000
HCNO               2   232.400     3.828     0.000     0.000     1.000 ! JAM
HOCN               2   232.400     3.828     0.000     0.000     1.000 ! JAM
HNCO               2   232.400     3.828     0.000     0.000     1.000 ! OIS
HNNO               2   232.400     3.828     0.000     0.000     1.000 ! *
HNO                2   116.700     3.492     0.000     0.000     1.000 ! *
HNOH               2   116.700     3.492     0.000     0.000     1.000 ! JAM
HO2                2   107.400     3.458     0.000     0.000     1.000 ! *
HSO2               2   252.000     4.290     0.000     0.000     1.000 ! OIS
N                  0    71.400     3.298     0.000     0.000     0.000 ! *
N2                 1    97.530     3.621     0.000     1.760     4.000
N2H                2    71.400     3.798     0.000     0.000     1.000 ! *
N2H2               2    71.400     3.798     0.000     0.000     1.000 ! *
N2H3               2   200.000     3.900     0.000     0.000     1.000 ! *
N2H4               2   205.000     4.230     0.000     4.260     1.500
N2O                1   232.400     3.828     0.000     0.000     1.000 ! *
NCN                1   232.400     3.828     0.000     0.000     1.000 ! OIS
NCO                1   232.400     3.828     0.000     0.000     1.000 ! OIS
NH                 1    80.000     2.650     0.000     0.000     4.000
NH2                2    80.000     2.650     0.000     2.260     4.000
NH3                2   481.000     2.920     1.470     0.000    10.000
NO                 1    97.530     3.621     0.000     1.760     4.000
NCNO               2   232.400     3.828     0.000     0.000     1.000 ! OIS
NO2                2   200.000     3.500     0.000     0.000     1.000 ! *
O                  0    80.000     2.750     0.000     0.000     0.000
O2                 1   107.400     3.458     0.000     1.600     3.800
O3                 2   180.000     4.100     0.000     0.000     2.000
OH                 1    80.000     2.750     0.000     0.000     0.000
S                  0   847.000     3.839     0.000     0.000     0.000 ! OIS
S2                 1   847.000     3.900     0.000     0.000     1.000 ! OIS
SH                 1   847.000     3.900     0.000     0.000     1.000 ! OIS
SO                 1   301.000     3.993     0.000     0.000     1.000 ! OIS
SO2                2   252.000     4.290     0.000     0.000     1.000 ! OIS
SO3                2   378.400     4.175     0.000     0.000     1.000 ! OIS
SIH4               2   207.6       4.084     0.000     0.000     1.000 ! MEC
SIH3               2   170.3       3.943     0.000     0.000     1.000 ! MEC
SIH2               2   133.1       3.803     0.000     0.000     1.000 ! MEC
SIH                1    95.8       3.662     0.000     0.000     1.000 ! MEC
SI                 0  3036.        2.910     0.000     0.000     0.000 ! MEC
SI2H6              2   301.3       4.828     0.000     0.000     1.000 ! MEC
SI2H5              2   306.9       4.717     0.000     0.000     1.000 ! MEC
SI2H4              2   312.6       4.601     0.000     0.000     1.000 ! MEC
SI2H3              2   318.2       4.494     0.000     0.000     1.000 ! MEC
SI2H2              2   323.8       4.383     0.000     0.000     1.000 ! MEC
SI2                1  3036.        3.280     0.000     0.000     1.000 ! MEC
SI3                2  3036.        3.550     0.000     0.000     1.000 ! MEC
SIF3               2   309.6       4.359     0.000     0.000     1.000 ! MEC
SIF3NH2            2   231.0       4.975     0.000     0.000     1.000 ! MEC
SIF4               2   171.9       4.880     0.000     0.000     1.000 ! SVE
SIHF3              2   180.8       4.681     0.000     0.000     1.000 ! MEC
H2SISIH2           2   312.6       4.601     0.000     0.000     1.000 ! MEC
H3SISIH            2   312.6       4.601     0.000     0.000     1.000 ! MEC
SI3H8              2   331.2       5.562     0.000     0.000     1.000 ! MEC
ASH3               2   259.8       4.145     0.000     0.000     1.000 ! MEC
AS2                1   1045.5      5.510     0.000     0.000     1.000 ! MEC
GAME3              2   378.2       5.52      0.000     0.000     1.000 ! MEC
GAME2              2   675.8       5.22      0.000     0.000     1.000 ! MEC
GAME               2   972.7       4.92      0.000     0.000     1.000 ! MEC
GA                 0  2961.8       4.62      0.000     0.000     0.000 ! MEC
K                  0   850.        4.25      0.000     0.000     1.000 ! SINGH
KOH                2  1213.        4.52      0.000     0.000     1.000 ! SINGH
KO2                2  1213.        4.69      0.000     0.000     1.000 ! SINGH
KH                 1    93.3       3.542     0.000     0.000     1.000 ! SINGH
K+                 0   850.        4.25      0.000     0.000     1.000 ! SINGH
E                  0   850.        425.      0.000     0.000     1.000 ! SINGH
KCL                1  1989.        4.186     0.000     0.000     1.000 ! SINGH
CL                 0   130.8       3.613     0.000     0.000     1.000 ! SINGH
CL-                0   130.8       3.613     0.000     0.000     1.000 ! SINGH
HCL                1   344.7       3.339     1.084     0.000     1.000 ! SINGH
KO                 1   383.0       3.812     0.000     0.000     1.000 ! SINGH
NC10H22               2   540.0   7.085   0.0 0.0 1.0 !   TCPC
NC10H22O              2   600.6   7.229   1.8 0.0 1.0 !   TCPC
335C10H22             2   522.0   6.873   0.0 0.0 1.0 !   WJP
2255C10H22            2   497.3   6.899   0.0 0.0 1.0 !   WJP
IC8H18                2   458.5   6.414   0.0 0.0 1.0 !   WJP
AC8H17                2   458.5   6.414   0.0 0.0 1.0 !   WJP
BC8H17                2   458.5   6.414   0.0 0.0 1.0 !   WJP
CC8H17                2   458.5   6.414   0.0 0.0 1.0 !   WJP
DC8H17                2   458.5   6.414   0.0 0.0 1.0 !   WJP
1C8H17OH              2   581.3   6.506   2.0 0.0 1.0 !   TCPC
AC8H17O               2   581.3   6.506   2.0 0.0 1.0 !   WJP
BC8H17O               2   581.3   6.506   2.0 0.0 1.0 !   WJP
CC8H17O               2   581.3   6.506   2.0 0.0 1.0 !   WJP
DC8H17O               2   581.3   6.506   2.0 0.0 1.0 !   WJP
1C8H16                2   485.6   6.440   0.3 0.0 1.0 !   WJP
IC8H16                2   485.6   6.440   0.3 0.0 1.0 !   WJP
JC8H16                2   485.6   6.440   0.3 0.0 1.0 !   WJP
IC8H15                2   485.6   6.440   0.3 0.0 1.0 !   WJP
IC8H14                2   485.6   6.440   0.3 0.0 1.0 !   WJP
C7H16                 2   459.6   6.253   0.0 0.0 1.0 !   TCPC
C7H15-1               2   459.6   6.253   0.0 0.0 1.0 !   WJP
C7H15-2               2   459.6   6.253   0.0 0.0 1.0 !   WJP
C7H15-3               2   459.6   6.253   0.0 0.0 1.0 !   WJP
C7H15-4               2   459.6   6.253   0.0 0.0 1.0 !   WJP
NEOC7H16              2   437.3   6.168   0.0 0.0 1.0 !   WJP
2-4C7H16              2   437.3   6.168   0.0 0.0 1.0 !   WJP
QC7H15                2   437.3   6.168   0.0 0.0 1.0 !   WJP
PC7H15                2   437.3   6.168   0.0 0.0 1.0 !   WJP
OC7H15                2   437.3   6.168   0.0 0.0 1.0 !   WJP
!NC7H15                2   437.3   6.168   0.0 0.0 1.0 !   WJP
XC7H15                2   437.3   6.168   0.0 0.0 1.0 !   WJP
YC7H15                2   437.3   6.168   0.0 0.0 1.0 !   WJP
ZC7H15                2   437.3   6.168   0.0 0.0 1.0 !   WJP
1C7H15OH              2   561.0   6.317   1.7 0.0 1.0 !   TCPC
C7H15O-1              2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O-2              2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O-3              2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O-4              2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2-1             2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2-2             2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2-3             2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2-4             2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2H-1            2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2H-2            2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2H-3            2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H15O2H-4            2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH1-2           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH1-3           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH1-4           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH1-5           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH2-1           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH2-3           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH2-4           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH2-5           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH2-6           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH3-1           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH3-2           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH3-4           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH3-5           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH3-6           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH3-7           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH4-1           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH4-2           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH4-3           2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14OOH1-2O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH1-3O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH1-4O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH1-5O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH2-1O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH2-3O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH2-4O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH2-5O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH2-6O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH3-1O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH3-2O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH3-4O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH3-5O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH3-6O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH3-7O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH4-1O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH4-2O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14OOH4-3O2         2   600.6   7.229   1.8 0.0 1.0 !   NC10H22O WJP
C7H14O1-2             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O1-3             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O1-4             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O1-5             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O2-3             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O2-4             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O2-5             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O2-6             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O3-4             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
C7H14O3-5             2   511.5   6.297   0.0 0.0 1.0 !   C8H16-1-5 WJP 
NC7KET12              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET13              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET14              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET15              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET21              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET23              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET24              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET25              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET26              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET31              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET32              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET34              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET35              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET36              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET37              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET41              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET42              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
NC7KET43              2   581.3   6.506   2.0 0.0 1.0 !   1C8H17OH WJP
QC7H15O               2   561.0   6.317   1.7 0.0 1.0 !   WJP
PC7H15O               2   561.0   6.317   1.7 0.0 1.0 !   WJP
OC7H15O               2   561.0   6.317   1.7 0.0 1.0 !   WJP
NC7H15O               2   561.0   6.317   1.7 0.0 1.0 !   WJP
NC7H15                2   459.980 6.310   0.0 0.0 1.0 !   Ranzi
XC7H15O               2   561.0   6.317   1.7 0.0 1.0 !   WJP
YC7H15O               2   561.0   6.317   1.7 0.0 1.0 !   WJP
ZC7H15O               2   561.0   6.317   1.7 0.0 1.0 !   WJP
C7H14                 2   457.8   6.173   0.3 0.0 1.0 !   TCPC
1C7H14                2   457.8   6.173   0.3 0.0 1.0 !   TCPC
C7H14-1               2   457.8   6.173   0.3 0.0 1.0 !   TCPC
C7H14-2               2   457.8   6.173   0.3 0.0 1.0 !   WJP
C7H14-3               2   457.8   6.173   0.3 0.0 1.0 !   WJP
C7H13                 2   457.8   6.173   0.3 0.0 1.0 !   WJP
IBC7H14               2   439.2   6.151   0.0 0.0 1.0 !   TCPC
O-C7H14               2   439.2   6.151   0.0 0.0 1.0 !   WJP
PC7H14                2   439.2   6.151   0.0 0.0 1.0 !   WJP
XC7H14                2   439.2   6.151   0.0 0.0 1.0 !   WJP
YC7H14                2   439.2   6.151   0.0 0.0 1.0 !   WJP
PC7H13                2   439.2   6.151   0.0 0.0 1.0 !   WJP
XC7H13                2   439.2   6.151   0.0 0.0 1.0 !   WJP
NC6H14                2   427.4   5.946   0.0 0.0 1.0 !   WJP
NEOC6H14              2   406.1   5.842   0.0 0.0 1.0 !   WJP
XC6H14                2   416.7   5.852   0.0 0.0 1.0 !   WJP
3-C6H14               2   422.5   5.870   0.0 0.0 1.0 !   WJP
IC6H14                2   422.5   5.870   0.0 0.0 1.0 !   WJP
C2H5COC3H7-N          2   498.6   6.009   2.0 0.0 1.0 !   TCPC
FC6H13                2   406.1   5.842   0.0 0.0 1.0 !   WJP
GC6H13                2   406.1   5.842   0.0 0.0 1.0 !   WJP
HC6H13                2   406.1   5.842   0.0 0.0 1.0 !   WJP
AC6H13                2   422.5   5.870   0.0 0.0 1.0 !   WJP
BC6H13                2   422.5   5.870   0.0 0.0 1.0 !   WJP
C-C6H13               2   422.5   5.870   0.0 0.0 1.0 !   WJP
DC6H13                2   422.5   5.870   0.0 0.0 1.0 !   WJP
EC6H13                2   422.5   5.870   0.0 0.0 1.0 !   WJP
1C6H13OH              2   541.5   5.674   1.8 0.0 1.0 !   TCPC
FC6H13O               2   541.5   5.674   1.8 0.0 1.0 !   WJP
GC6H13O               2   541.5   5.674   1.8 0.0 1.0 !   WJP
HC6H13O               2   541.5   5.674   1.8 0.0 1.0 !   WJP
AC6H13O               2   541.5   5.674   1.8 0.0 1.0 !   WJP
BC6H13O               2   541.5   5.674   1.8 0.0 1.0 !   WJP
C-C6H13O              2   541.5   5.674   1.8 0.0 1.0 !   WJP
DC6H13O               2   541.5   5.674   1.8 0.0 1.0 !   WJP
EC6H13O               2   541.5   5.674   1.8 0.0 1.0 !   WJP
NEOC6H12              2   397.9   5.767   0.0 0.0 1.0 !   WJP
KC6H12                2   435.9   5.807   0.0 0.0 1.0 !   WJP
JC6H12                2   415.3   5.794   0.0 0.0 1.0 !   WJP
C-C6H12               2   414.4   5.872   0.0 0.0 1.0 !   WJP
C-C6H12-C             2   411.9   5.860   0.0 0.0 1.0 !   WJP
H-C6H12               2   430.6   5.843   0.0 0.0 1.0 !   WJP
H-C6H12-C             2   433.6   5.825   0.0 0.0 1.0 !   WJP
BC6H12                2   430.1   5.833   0.0 0.0 1.0 !   WJP
3C6H12                2   431.5   5.859   0.0 0.0 1.0 !   WJP
3C6H12-C              2   428.9   5.830   0.3 0.0 1.0 !   WJP
2C6H12                2   429.6   5.829   0.0 0.0 1.0 !   WJP
2C6H12-C              2   432.4   5.827   0.0 0.0 1.0 !   WJP
1C6H12                2   423.2   5.834   0.4 0.0 1.0 !   WJP
AC6H12                2   430.1   5.833   0.0 0.0 1.0 !   WJP
DC6H12                2   414.4   5.872   0.0 0.0 1.0 !   WJP
NEOC6H11              2   397.9   5.767   0.0 0.0 1.0 !   WJP
C6H11OOH1-4           2   561.0   6.317   1.7 0.0 1.0 !   1C7H15OH WJP
C6H11OOH1-5           2   561.0   6.317   1.7 0.0 1.0 !   1C7H15OH WJP
C6H11O1-4             2   541.5   5.674   1.8 0.0 1.0 !   1C6H13OH WJP
C6H11O1-5             2   541.5   5.674   1.8 0.0 1.0 !   1C6H13OH WJP
IC6H12                2   430.1   5.833   0.0 0.0 1.0 !   WJP
NC3H7COOC2H5          2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET12              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET13              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET14              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET15              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET21              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET23              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET24              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET25              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET31              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC5KET32              2   494.8   6.174   1.8 0.0 1.0 !  TCPC
NC3H7COOC3H7-N        2   467.0   6.548   1.8 0.0 1.0 ! TCPC
NC6KET12              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET13              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET14              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET15              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET21              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET23              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET24              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET25              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET26              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET31              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET32              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET34              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET35              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC6KET36              2   467.0   6.548   1.8 0.0 1.0 ! WJP
NC5H12                2   391.7   5.591   0.0 0.0 1.0 !   WJP
NEO-C5H12             2   357.8   5.550   0.0 0.0 1.0 !   WJP
IC5H12                2   382.1   5.548   0.0 0.0 1.0 !   WJP
NC5H11CHO             2   498.6   6.009   2.0 0.0 1.0 !  C2H5COC3H7-N WJP
NC5H11CO              2   498.6   6.009   2.0 0.0 1.0 !  C2H5COC3H7-N WJP
NC5H10CHO-1           2   498.6   6.009   2.0 0.0 1.0 !  C2H5COC3H7-N WJP
NC5H10CHO-2           2   498.6   6.009   2.0 0.0 1.0 !  C2H5COC3H7-N WJP
NC5H10CHO-3           2   498.6   6.009   2.0 0.0 1.0 !  C2H5COC3H7-N WJP
NC5H10CHO-4           2   498.6   6.009   2.0 0.0 1.0 !  C2H5COC3H7-N WJP
NC5H10CHO-5           2   498.6   6.009   2.0 0.0 1.0 !  C2H5COC3H7-N WJP
1C5H11OH              2   523.2   5.664   1.7 0.0 1.0 !   TCPC
IC5H11OH-1            2   451.9   6.041   0.0 0.0 1.0 !   WJP
IC5H11OH-2            2   431.4   5.624   1.9 0.0 1.0 !   WJP
1C5H11O               2   523.2   5.664   1.7 0.0 1.0 !   WJP
2C5H11O               2   523.2   5.664   1.7 0.0 1.0 !   WJP
3C5H11O               2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O-1              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O-2              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O-3              2   523.2   5.664   1.7 0.0 1.0 !   WJP
AC5H11O               2   523.2   5.664   1.7 0.0 1.0 !   WJP
BC5H11O               2   523.2   5.664   1.7 0.0 1.0 !   WJP
CC5H11O               2   523.2   5.664   1.7 0.0 1.0 !   WJP
DC5H11O               2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O2-1             2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O2-2             2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O2-3             2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O2H-1            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O2H-2            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H11O2H-3            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH1-2           2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH1-3            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH1-4            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-1            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-3            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-4            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-5            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH3-1            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH3-2            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH1-2O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH1-3O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH1-4O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH1-5O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-1O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-3O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-4O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH2-5O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH3-1O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10OOH3-2O2          2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10O1-2              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10O1-3              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10O1-4              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10O1-5              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10O2-3              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H10O2-4              2   523.2   5.664   1.7 0.0 1.0 !   WJP
C5H9OOH-14             2   541.5   5.674   1.8 0.0 1.0 !   1C6H13OH WJP
C5H9OOH-15             2   541.5   5.674   1.8 0.0 1.0 !   1C6H13OH WJP
C5H9O-14               2   523.2   5.664   1.7 0.0 1.0 !   1C5H11OH WJP
C5H9O-15               2   523.2   5.664   1.7 0.0 1.0 !   1C5H11OH WJP
NEO-C5H11O            2   523.2   5.664   1.7 0.0 1.0 !   WJP
C2H5COC2H5            2   476.7   5.714   2.7 0.0 1.0 !   TCPC
C2H5COC2H3            2   476.7   5.714   2.7 0.0 1.0 !   WJP
PC2H4COC2H3           2   476.7   5.714   2.7 0.0 1.0 !   WJP
SC2H4COC2H3           2   476.7   5.714   2.7 0.0 1.0 !   WJP
IC3H7COCH3            2   469.0   5.632   2.8 0.0 1.0 !   WJP
NC3H7COCH3            2   477.0   5.735   2.5 0.0 1.0 !   WJP
NC4H9CHO              2   476.0   5.778   2.6 0.0 1.0 !   TCPC
NC4H9CO               2   476.0   5.778   2.6 0.0 1.0 !   WJP
C4H8CHO-1             2   476.0   5.778   2.6 0.0 1.0 !   WJP
C4H8CHO-2             2   476.0   5.778   2.6 0.0 1.0 !   WJP
C4H8CHO-3             2   476.0   5.778   2.6 0.0 1.0 !   WJP
C4H8CHO-4             2   476.0   5.778   2.6 0.0 1.0 !   WJP
NC4KET12              2   476.0   5.778   2.6 0.0 1.0 !  WJP
NC4KET13              2   476.0   5.778   2.6 0.0 1.0 !  WJP
NC4KET14              2   476.0   5.778   2.6 0.0 1.0 !  WJP
NC4KET21              2   476.0   5.778   2.6 0.0 1.0 !  WJP
NC4KET23              2   476.0   5.778   2.6 0.0 1.0 !  WJP
NC4KET24              2   476.0   5.778   2.6 0.0 1.0 !  WJP
C-C5H10               2   372.1   5.446   0.0 0.0 1.0 !   WJP
BC5H10                2   391.4   5.550   0.0 0.0 1.0 !   WJP
AC5H10                2   386.6   5.532   0.5 0.0 1.0 !   WJP
2C5H10                2   396.8   5.458   0.0 0.0 1.0 !   WJP
C5H10-2               2   396.8   5.458   0.0 0.0 1.0 !   WJP
1C5H10                2   386.2   5.489   0.4 0.0 1.0 !   WJP
C5H10                 2   386.2   5.489   0.4 0.0 1.0 !   WJP
C5H10-1               2   386.2   5.489   0.4 0.0 1.0 !   WJP
C5H9                  2   396.8   5.458   0.0 0.0 1.0 !   WJP
IC5H9                 2   386.6   5.532   0.5 0.0 1.0 !   WJP
NC4H10                2   350.9   5.206   0.0 0.0 1.0 !   WJP
!C4H10                 2   350.9   5.206   0.0 0.0 1.0 !   WJP
C4H10                 2   352.0   5.240   0.0 0.0 1.0 ! Ranzi
IC4H10                2   335.7   5.208   0.1 0.0 1.0 !   WJP
NC4H9OH               2   502.2   5.356   1.8 0.0 1.0 !   WJP
IC4H7OH               2   502.2   5.356   1.8 0.0 1.0 !   WJP
IC4H6OH               2   502.2   5.356   1.8 0.0 1.0 !   WJP
C4H7CHO1-4            2   476.0   5.778   2.6 0.0 1.0 !   NC4H9CHO WJP
C4H7CO1-4             2   476.0   5.778   2.6 0.0 1.0 !   NC4H9CHO WJP
C4H7CHO1-43           2   476.0   5.778   2.6 0.0 1.0 !   NC4H9CHO WJP
C4H7CHO1-44           2   476.0   5.778   2.6 0.0 1.0 !   NC4H9CHO WJP
C4H7OOH1-4            2   523.2   5.664   1.7 0.0 1.0 !   1C5H11OH WJP
C4H7O1-4              2   476.0   5.778   2.6 0.0 1.0 !   NC4H9CHO WJP
IC3H7CHO              2   436.4   5.352   0.0 0.0 1.0 !   TCPC
TC3H6O2CHO            2   436.4   5.352   0.0 0.0 1.0 !   WJP
TC3H6O2HCO            2   436.4   5.352   0.0 0.0 1.0 !   WJP
TC3H6OHCHO            2   436.4   5.352   0.0 0.0 1.0 !   WJP
IC3H5O2HCHO           2   436.4   5.352   0.0 0.0 1.0 !   WJP
NC3H7CHO              2   464.2   5.009   2.6 0.0 1.0 !   TCPC
AC3H5CHO              2   464.2   5.009   2.6 0.0 1.0 !   WJP
AC3H5CO               2   464.2   5.009   2.6 0.0 1.0 !   WJP
C2H3CHCHO             2   464.2   5.009   2.6 0.0 1.0 !   WJP
C2H5CHCHO             2   464.2   5.009   2.6 0.0 1.0 !   WJP
C3H6CHO-1             2   464.2   5.009   2.6 0.0 1.0 !   WJP
C3H6CHO-2             2   464.2   5.009   2.6 0.0 1.0 !   WJP
C3H6CHO-3             2   464.2   5.009   2.6 0.0 1.0 !   WJP
SC3H5CHO              2   464.2   5.009   2.6 0.0 1.0 !   TCPC
SC3H5CO               2   464.2   5.009   2.6 0.0 1.0 !   TCPC
C2H5OCHO              2   427.0   5.117   2.0 0.0 1.0 !   TCPC
CH3CHOCHO             2   427.0   5.117   2.0 0.0 1.0 !   TCPC
C2H5COCH3             2   454.0   5.413   3.3 0.0 1.0 !   TCPC
C2H5COCH2             2   454.0   5.413   3.3 0.0 1.0 !   WJP
C2H3COCH3             2   454.0   5.413   3.3 0.0 1.0 !   WJP
C3KET12               2   464.2   5.009   2.6 0.0 1.0 !   WJP
C3KET13               2   464.2   5.009   2.6 0.0 1.0 !   WJP
C3KET21               2   464.2   5.009   2.6 0.0 1.0 !   WJP
IC3H7CO               2   436.4   5.352   0.0 0.0 1.0 !   WJP
NC3H7CO               2   464.2   5.009   2.6 0.0 1.0 !   WJP
IC3H6CHO              2   436.4   5.352   0.0 0.0 1.0 !   WJP
TC3H6CHO              2   436.4   5.352   0.0 0.0 1.0 !   WJP
TC3H6OCHO             2   436.4   5.352   0.0 0.0 1.0 !   WJP
IC3H6CO               2   436.4   5.352   0.0 0.0 1.0 !   WJP
IC3H5CHO              2   436.4   5.352   0.0 0.0 1.0 !   WJP
IC3H5CO               2   436.4   5.352   0.0 0.0 1.0 !   WJP
IC4H8                 2   344.5   5.089   0.5 0.0 1.0 !   WJP
2-C4H8                2   354.1   5.135   0.0 0.0 1.0 !   WJP
2-C4H8-S              2   359.7   5.076   0.3 0.0 1.0 !   WJP
1-C4H8                2   345.7   5.088   0.3 0.0 1.0 !   WJP
1,3-C4H6              2   350.4   4.984   0.0 0.0 1.0 !   WJP
1,2-C4H6              2   370.3   4.984   0.4 0.0 1.0 !   WJP
C3H6O                 2   403.6   4.968   2.0 0.0 1.0 !   WJP
C3H6O1-3              2   403.6   4.968   2.0 0.0 1.0 !   WJP
C3H6O1-2              2   403.6   4.968   2.0 0.0 1.0 !   WJP
C2H5CHO               2   435.2   4.662   2.7 0.0 1.0 !   WJP
C3H6OOH1-2            2   435.2   4.662   2.7 0.0 1.0 !   WJP
C3H6OOH1-3            2   435.2   4.662   2.7 0.0 1.0 !   WJP
C3H6OOH2-1            2   435.2   4.662   2.7 0.0 1.0 !   WJP
C3H6OOH1-2O2          2   435.2   4.662   2.7 0.0 1.0 !   WJP
C3H6OOH1-3O2          2   435.2   4.662   2.7 0.0 1.0 !   WJP
C3H6OOH2-1O2          2   435.2   4.662   2.7 0.0 1.0 !   WJP
NC3H7OH               2   481.5   4.997   1.7 0.0 1.0 !   WJP
IC3H7OH               2   459.5   5.036   1.7 0.0 1.0 !   WJP
CH3OC2H5              2   364.6   4.998   1.2 0.0 1.0 !   WJP
IC3H5OH               2   459.5   5.036   1.7 0.0 1.0 !   WJP
TC3H6OH               2   459.5   5.036   1.7 0.0 1.0 !   WJP
NC3H7O                2   481.5   4.997   1.7 0.0 1.0 !   WJP
NC3H7O2               2   481.5   4.997   1.7 0.0 1.0 !   WJP
NC3H7O2H              2   481.5   4.997   1.7 0.0 1.0 !   WJP
IC3H7O                2   459.5   5.036   1.7 0.0 1.0 !   WJP
IC3H7O2               2   459.5   5.036   1.7 0.0 1.0 !   WJP
IC3H7O2H              2   459.5   5.036   1.7 0.0 1.0 !   WJP
C3H5OH                2   481.5   4.997   1.7 0.0 1.0 !   WJP
C2H3CHO               2   428.8   4.958   2.9 0.0 1.0 !   WJP
CH2CCH2OH             2   481.5   4.997   1.7 0.0 1.0 !   WJP
A-AC5H10O             3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
A-BC5H10O             3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
AC3H4COC2H5           3   527.994     5.587     0.000     0.000     0.000    !FLAMEMASTER
AC3H4COCH3            3   482.331     5.306     0.000     0.000     0.000    !FLAMEMASTER
AC3H5CHCOCH3          3   527.994     5.587     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-A           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-AO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-B           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-BO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-C           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-CO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-D           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
AC5H10OOH-DO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
AC5H11                3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
AC5H11O2              3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
AC5H11O2H             3   549.783     5.717     0.000     0.000     0.000    !FLAMEMASTER
A-CC5H10O             3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
A-DC5H10O             3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
BC5H10OOH-A           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
BC5H10OOH-AO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
BC5H10OOH-C           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
BC5H10OOH-CO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
BC5H10OOH-D           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
BC5H10OOH-DO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
BC5H11                3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
BC5H11O2              3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
BC5H11O2H             3   549.783     5.717     0.000     0.000     0.000    !FLAMEMASTER
B-CC5H10O             3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
B-DC5H10O             3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
C2H5CHCO              3   436.950     5.016     0.000     0.000     0.000    !FLAMEMASTER
C2H5COC2H4P           3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
C2H5COC2H4S           3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
C3H6COC2H5-1          3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C3H6COC2H5-2          3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C3H6COC2H5-3          3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C3H6COCH3-1           3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
C3H6COCH3-2           3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
C3H6COCH3-3           3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
C4H6CHO1-43           3   482.331     5.306     0.000     0.000     0.000    !FLAMEMASTER
C4H6CHO1-44           3   482.331     5.306     0.000     0.000     0.000    !FLAMEMASTER
C4H8COCH3-1           3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C4H8COCH3-2           3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C4H8COCH3-3           3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C4H8COCH3-4           3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C5H10CHO-1            3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C5H10CHO-2            3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C5H10CHO-3            3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C5H10CHO-4            3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C5H10CHO-5            3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
C5H10OOH1-5           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
C5H11-1               3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
C5H11-2               3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
C5H11-3               3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
C5H9O1-4              3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
C5H9O1-5              3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
C5H9OOH1-4            3   543.585     5.680     0.000     0.000     0.000    !FLAMEMASTER
C5H9OOH1-5            3   543.585     5.680     0.000     0.000     0.000    !FLAMEMASTER
C6H11                 3   482.473     5.307     0.000     0.000     0.000    !FLAMEMASTER
C6H12-1               3   485.857     5.328     0.000     0.000     0.000    !FLAMEMASTER
C6H12-2               3   485.857     5.328     0.000     0.000     0.000    !FLAMEMASTER
C6H12-3               3   485.857     5.328     0.000     0.000     0.000    !FLAMEMASTER
C6H12O1-2             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12O1-3             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12O1-4             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12O1-5             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12O2-3             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12O2-4             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12O2-5             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12O3-4             3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-2           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-2O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-3           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-3O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-4           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-4O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-5           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH1-5O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-1           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-1O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-3           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-3O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-4           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-4O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-5           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-5O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-6           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH2-6O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-1           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-1O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-2           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-2O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-4           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-4O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-5           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-5O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-6           3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H12OOH3-6O2         3   677.149     6.436     0.000     0.000     0.000    !FLAMEMASTER
C6H13-1               3   489.224     5.349     0.000     0.000     0.000    !FLAMEMASTER
C6H13-2               3   489.224     5.349     0.000     0.000     0.000    !FLAMEMASTER
C6H13-3               3   489.224     5.349     0.000     0.000     0.000    !FLAMEMASTER
C6H13O-1              3   540.597     5.662     0.000     0.000     0.000    !FLAMEMASTER
C6H13O-2              3   540.597     5.662     0.000     0.000     0.000    !FLAMEMASTER
C6H13O2-1             3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H13O2-2             3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H13O2-3             3   588.653     5.943     0.000     0.000     0.000    !FLAMEMASTER
C6H13O2H-1            3   591.585     5.960     0.000     0.000     0.000    !FLAMEMASTER
C6H13O2H-2            3   591.585     5.960     0.000     0.000     0.000    !FLAMEMASTER
C6H13O2H-3            3   591.585     5.960     0.000     0.000     0.000    !FLAMEMASTER
C6H13O-3              3   540.597     5.662     0.000     0.000     0.000    !FLAMEMASTER
CC4H8O                3   444.197     5.063     0.000     0.000     0.000    !FLAMEMASTER
CC5H10                3   437.102     5.017     0.000     0.000     0.000    !FLAMEMASTER
CC5H10OOH-A           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
CC5H10OOH-AO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
CC5H10OOH-B           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
CC5H10OOH-BO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
CC5H10OOH-D           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
CC5H10OOH-DO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
CC5H11                3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
CC5H11O2              3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
CC5H11O2H             3   549.783     5.717     0.000     0.000     0.000    !FLAMEMASTER
C-DC5H10O             3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
CH2CH2COCH3           3   440.584     5.040     0.000     0.000     0.000    !FLAMEMASTER
CH2CHOOHCOCH3         3   546.562     5.698     0.000     0.000     0.000    !FLAMEMASTER
CH3CHCHO              3   387.860     4.687     0.000     0.000     0.000    !FLAMEMASTER
CH3CHCOCH3            3   440.584     5.040     0.000     0.000     0.000    !FLAMEMASTER
CH3CHOOCOCH3          3   546.562     5.698     0.000     0.000     0.000    !FLAMEMASTER
CH3COCH2O             3   447.639     5.086     0.000     0.000     0.000    !FLAMEMASTER
CH3COCH2O2            3   502.115     5.429     0.000     0.000     0.000    !FLAMEMASTER
CH3COCH2O2H           3   505.403     5.449     0.000     0.000     0.000    !FLAMEMASTER
DC5H10OOH-A           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
DC5H10OOH-AO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
DC5H10OOH-B           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
DC5H10OOH-BO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
DC5H10OOH-C           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
DC5H10OOH-CO2         3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
DC5H11                3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
DC5H11O2              3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
DC5H11O2H             3   549.783     5.717     0.000     0.000     0.000    !FLAMEMASTER
IC3H5COC2H4P          3   527.994     5.587     0.000     0.000     0.000    !FLAMEMASTER
IC3H5COC2H4S          3   527.994     5.587     0.000     0.000     0.000    !FLAMEMASTER
IC3H5COC2H5           3   531.165     5.606     0.000     0.000     0.000    !FLAMEMASTER
IC3H5COCH2            3   482.331     5.306     0.000     0.000     0.000    !FLAMEMASTER
IC3H5COCH3            3   485.716     5.327     0.000     0.000     0.000    !FLAMEMASTER
IC3H6CHCOCH2          3   527.994     5.587     0.000     0.000     0.000    !FLAMEMASTER
IC3H6CHCOCH3          3   531.165     5.606     0.000     0.000     0.000    !FLAMEMASTER
IC3H6COC2H3           3   527.994     5.587     0.000     0.000     0.000    !FLAMEMASTER
IC3H6COC2H5           3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
IC3H6COCH3            3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
IC3H7COC2H3           3   531.165     5.606     0.000     0.000     0.000    !FLAMEMASTER
IC3H7COC2H4P          3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
IC3H7COC2H4S          3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
IC3H7COC2H5           3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
IC3H7COCH2            3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
IC4H6Q2-II            3   597.176     5.992     0.000     0.000     0.000    !FLAMEMASTER
IC4H7-I1              3   380.022     4.633     0.000     0.000     0.000    !FLAMEMASTER
IC4H7OOH              3   498.949     5.410     0.000     0.000     0.000    !FLAMEMASTER
IC4H8O                3   444.197     5.063     0.000     0.000     0.000    !FLAMEMASTER
IC4H8OOH-I            3   502.252     5.430     0.000     0.000     0.000    !FLAMEMASTER
IC4H8OOH-IO2          3   600.078     6.009     0.000     0.000     0.000    !FLAMEMASTER
IC4H8OOH-T            3   502.252     5.430     0.000     0.000     0.000    !FLAMEMASTER
IC4H8OOH-TO2          3   600.078     6.009     0.000     0.000     0.000    !FLAMEMASTER
IC4H9O2               3   502.252     5.430     0.000     0.000     0.000    !FLAMEMASTER
IC4H9O2H              3   505.540     5.450     0.000     0.000     0.000    !FLAMEMASTER
IC4KETII              3   549.655     5.716     0.000     0.000     0.000    !FLAMEMASTER
IC4KETIT              3   549.655     5.716     0.000     0.000     0.000    !FLAMEMASTER
IC5KETAA              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETAB              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETAC              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETAD              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETCA              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETCB              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETCD              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETDA              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETDB              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
IC5KETDC              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
NC3H7COC2H4P          3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
NC3H7COC2H4S          3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
NC3H7COC2H5           3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
NC3H7COCH2            3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
NC4H9COCH2            3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
NC4H9COCH3            3   537.467     5.643     0.000     0.000     0.000    !FLAMEMASTER
NEO-C5H10O            3   492.434     5.369     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H10OOH           3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H10OOH-O2        3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H11              3   440.735     5.041     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H11O             3   495.769     5.390     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H11O2            3   546.691     5.698     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H11O2H           3   549.783     5.717     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H12              3   444.347     5.064     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H9Q2             3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
NEOC5H9Q2-N           3   639.455     6.230     0.000     0.000     0.000    !FLAMEMASTER
NEOC5KEJOL            3   540.467     5.661     0.000     0.000     0.000    !FLAMEMASTER
NEOC5KET              3   591.463     5.959     0.000     0.000     0.000    !FLAMEMASTER
NEOC5KETOX            3   540.467     5.661     0.000     0.000     0.000    !FLAMEMASTER
O2C4H8CHO             3   588.531     5.942     0.000     0.000     0.000    !FLAMEMASTER
O2HC4H8CO             3   588.531     5.942     0.000     0.000     0.000    !FLAMEMASTER
SC3H5COCH2            3   482.331     5.306     0.000     0.000     0.000    !FLAMEMASTER
TC3H6COC2H3           3   527.994     5.587     0.000     0.000     0.000    !FLAMEMASTER
TC3H6COC2H5           3   534.323     5.625     0.000     0.000     0.000    !FLAMEMASTER
TC3H6COCH3            3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
TC4H8CHO              3   489.084     5.348     0.000     0.000     0.000    !FLAMEMASTER
TC4H8OOH-I            3   502.252     5.430     0.000     0.000     0.000    !FLAMEMASTER
TC4H8OOH-IO2          3   600.078     6.009     0.000     0.000     0.000    !FLAMEMASTER
TC4H9O2               3   502.252     5.430     0.000     0.000     0.000    !FLAMEMASTER
TC4H9O2H              3   505.540     5.450     0.000     0.000     0.000    !FLAMEMASTER
JP10                  3   642.441     6.246     0.000     0.000     0.000    !FLAMEMASTER

!ethanol
C2H5OH             2   470.600     4.410     0.000     0.000     1.500 ! NMM  
CH3CHOH            2   362.600     4.530     0.000     0.000     1.500 ! MI
CH3CH2O            2   470.600     4.410     0.000     0.000     1.500 ! NMM	!JLI_MV
HOC2H4O2           2   523.2       5.664     1.7       0.0       1.0   ! WJP	!JLI_MV
CH2CH2OH           2   362.600     4.530     0.000     0.000     1.500 ! MI 
C2H4OH             2   362.600     4.530     0.000     0.000     1.500 ! MI

C3H6OOH            2   487.900     4.820     0.000     0.000     1.000 !adopted from MI
OC3H5OOH           2   487.900     4.820     0.000     0.000     1.000
C2H4OOH            2   470.600     4.410     0.000     0.000     1.500
OC2H3OOH           2   470.600     4.410     0.000     0.000     1.500

!heptane
NC7H15             2   459.980     6.310     0.000     0.000     1.000  !Ranzi 
C7H14              2   459.980     6.310     0.000     0.000     1.000  !Ranzi 
NC7-QOOH           2   561.000     6.317     1.700     0.000     1.000 !WJP
NC7-OQOOH          2   581.300     6.506     2.000     0.000     1.000 !1c8h17oh wjp

!DME
CH3OCH3            2   329.400     4.624     0.000     0.000     1.000 !loc_est
CH3OCH2            2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
CH3OCH2O2          2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
CH2OCH2O2H         2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
CH3OCH2O2H         2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
HO2CH2OCHO         2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
O2CH2OCH2O2H       2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3

HOCHO              2   470.600     4.410     0.000     0.000     1.500
OCH2OCHO           2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
CH3OCHO            2   406.500     4.709     0.000     0.000     1.000 !loc_est
CH3OCH2OH          2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
CH3OCH2O2H         2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
CH3OCH2O           2   470.900     4.862     0.000     0.000     1.000 !loc_est
CH3OCO             2   406.500     4.709     0.000     0.000     1.000 !=CH3OCHO
HCOOH              2   470.600     4.410     0.000     0.000     1.500 !ZHAO
HOCH2OCO           2   329.400     4.624     0.000     0.000     1.000 !=CH3OCH3
   
END
