/IDENT        1    1
  1318   2165
 /PEAKS       54   54
    21       3
    23      10
    24       9
    26     444
    27    3648
    28     410
    29    5058
    30     114
    31      75
    33       6
    36       5
    37      78
    38     131
    39    1247
    40     151
    41    2583
    42     658
    43    9999
    44     308
    45      34
    49       8
    50      57
    51      54
    52      40
    53     162
    54      36
    55     359
    56     196
    57    8340
    58     266
    59      38
    62      10
    63      10
    65      11
    67      54
    68       8
    69      61
    70      69
    71    5073
    72     539
    73      23
    77       6
    79       5
    81       4
    82       6
    83      10
    84       4
    85     223
    86      11
    98       3
    99       5
   100    2352
   101     260
   102      10
 /REACINFO     1    7
      1   1   1   1   0
        1
        2
   0   1   1   0   0
   4
 T T
 T  1.000     T  1.000     F     0.     F     0.    
 /MOLECULS     1    1
    1     1   19
 /MOLNAMES     1    2
  1
R1_E1_L1
 /ATOMS       19   19
    1    6  0    1    3
    2    6  0    4    7
    3    6  0    8   11
    4    8  4   12   12
    5    6  0   13   16
    6    6  0   17   20
    7    6  0   21   24
    8    1  0   25   25
    9    1  0   26   26
   10    1  0   27   27
   11    1  0   28   28
   12    1  0   29   29
   13    1  0   30   30
   14    1  0   31   31
   15    1  0   32   32
   16    1  0   33   33
   17    1  0   34   34
   18    1  0   35   35
   19    1  0   36   36
 /BONDS       36   36
      1     1     2     1
      2     1     3     1
      3     1     4     2
      4     2     1     1
      5     2     5     1
      6     2     8     1
      7     2     9     1
      8     3     1     1
      9     3     6     1
     10     3    10     1
     11     3    11     1
     12     4     1     2
     13     5     2     1
     14     5     7     1
     15     5    12     1
     16     5    13     1
     17     6     3     1
     18     6    14     1
     19     6    15     1
     20     6    16     1
     21     7     5     1
     22     7    17     1
     23     7    18     1
     24     7    19     1
     25     8     2     1
     26     9     2     1
     27    10     3     1
     28    11     3     1
     29    12     5     1
     30    13     5     1
     31    14     6     1
     32    15     6     1
     33    16     6     1
     34    17     7     1
     35    18     7     1
     36    19     7     1
 /GRTEXT       1    2
 ED:       1 LVL: 1 C: 0
C6H12O               M: 100.09
 /END          0    0
 /MOLECULS     1    1
    1     1   19
 /MOLNAMES     1    2
  1
R1_P2-1_L1
 /ATOMS       19   19
    1    6  0    1    3
    2    6  0    4    7
    3    6  0    8   11
    4    8  3   12   12
    5    6  0   13   16
    6    6  0   17   20
    7    6  0   21   24
    8    1  0   25   25
    9    1  0   26   26
   10    1  0   27   27
   11    1  0   28   28
   12    1  0   29   29
   13    1  0   30   30
   14    1  0   31   31
   15    1  0   32   32
   16    1  0   33   33
   17    1  0   34   34
   18    1  0   35   35
   19    1  0   36   36
 /BONDS       36   36
      1     1     2     1
      2     1     3     1
      3     1     4     2
      4     2     1     1
      5     2     5     1
      6     2     8     1
      7     2     9     1
      8     3     1     1
      9     3     6     1
     10     3    10     1
     11     3    11     1
     12     4     1     2
     13     5     2     1
     14     5     7     1
     15     5    12     1
     16     5    13     1
     17     6     3     1
     18     6    14     1
     19     6    15     1
     20     6    16     1
     21     7     5     1
     22     7    17     1
     23     7    18     1
     24     7    19     1
     25     8     2     1
     26     9     2     1
     27    10     3     1
     28    11     3     1
     29    12     5     1
     30    13     5     1
     31    14     6     1
     32    15     6     1
     33    16     6     1
     34    17     7     1
     35    18     7     1
     36    19     7     1
 /GRTEXT       1    2
 PR:       2 LVL: 1 ED:    1 C: 1
C6H12O               M: 100.09
 /ENDBLOCK     0    0
 /REACINFO     1    7
      2   2   1   2   0
        2
        3       -1
   1   3   3   0   0
   4   1   2
 T T
 T  1.000     T 0.7402     F     0.     F     0.    
 /MOLECULS     1    1
    1     1   19
 /MOLNAMES     1    2
  1
R2_E2_L2
 /ATOMS       19   19
    1    6  0    1    3
    2    6  0    4    7
    3    6  0    8   11
    4    8  3   12   12
    5    6  0   13   16
    6    6  0   17   20
    7    6  0   21   24
    8    1  0   25   25
    9    1  0   26   26
   10    1  0   27   27
   11    1  0   28   28
   12    1  0   29   29
   13    1  0   30   30
   14    1  0   31   31
   15    1  0   32   32
   16    1  0   33   33
   17    1  0   34   34
   18    1  0   35   35
   19    1  0   36   36
 /BONDS       36   36
      1     1     2     1
      2     1     3     1
      3     1     4     2
      4     2     1     1
      5     2     5     1
      6     2     8     1
      7     2     9     1
      8     3     1     1
      9     3     6     1
     10     3    10     1
     11     3    11     1
     12     4     1     2
     13     5     2     1
     14     5     7     1
     15     5    12     1
     16     5    13     1
     17     6     3     1
     18     6    14     1
     19     6    15     1
     20     6    16     1
     21     7     5     1
     22     7    17     1
     23     7    18     1
     24     7    19     1
     25     8     2     1
     26     9     2     1
     27    10     3     1
     28    11     3     1
     29    12     5     1
     30    13     5     1
     31    14     6     1
     32    15     6     1
     33    16     6     1
     34    17     7     1
     35    18     7     1
     36    19     7     1
 /GRTEXT       1    2
 ED:       2 LVL: 2 C: 1
C6H12O               M: 100.09
 /END          0    0
 /MOLECULS     1    1
    1     1    9
 /MOLNAMES     1    2
  1
R2_P3-1_L2
 /ATOMS        9    9
    1    6  0    1    2
    3    6  0    3    6
    4    8  2    7    7
    6    6  0    8   11
   10    1  0   12   12
   11    1  0   13   13
   14    1  0   14   14
   15    1  0   15   15
   16    1  0   16   16
 /BONDS       16   16
      1     1     2     1
      2     1     3     3
      3     2     1     1
      4     2     4     1
      5     2     5     1
      6     2     6     1
      7     3     1     3
      8     4     2     1
      9     4     7     1
     10     4     8     1
     11     4     9     1
     12     5     2     1
     13     6     2     1
     14     7     4     1
     15     8     4     1
     16     9     4     1
 /GRTEXT       1    2
 PR:       3 LVL: 2 ED:    2 C: 1
C3H5O                M:  57.03
 /END          0    0
 /MOLECULS     1    1
    1     1   10
 /MOLNAMES     1    2
  1
R2_P-1-2_L2
 /ATOMS       10   10
    2    6  1    1    3
    5    6  0    4    7
    7    6  0    8   11
    8    1  0   12   12
    9    1  0   13   13
   12    1  0   14   14
   13    1  0   15   15
   17    1  0   16   16
   18    1  0   17   17
   19    1  0   18   18
 /BONDS       18   18
      1     1     2     1
      2     1     4     1
      3     1     5     1
      4     2     1     1
      5     2     3     1
      6     2     6     1
      7     2     7     1
      8     3     2     1
      9     3     8     1
     10     3     9     1
     11     3    10     1
     12     4     1     1
     13     5     1     1
     14     6     2     1
     15     7     2     1
     16     8     3     1
     17     9     3     1
     18    10     3     1
 /GRTEXT       1    2
 PR:      -1 LVL: 2 ED:    2 C: 0
C3H7                 M:  43.05
 /ENDBLOCK     0    0
 /REACINFO     1    7
      3   2   1   2   0
        2
        4       -2
   1   3   3   0   0
   4   1   3
 T T
 T  1.000     T 0.6797     F     0.     F     0.    
 /MOLECULS     1    1
    1     1   19
 /MOLNAMES     1    2
  1
R3_E2_L2
 /ATOMS       19   19
    1    6  0    1    3
    2    6  0    4    7
    3    6  0    8   11
    4    8  3   12   12
    5    6  0   13   16
    6    6  0   17   20
    7    6  0   21   24
    8    1  0   25   25
    9    1  0   26   26
   10    1  0   27   27
   11    1  0   28   28
   12    1  0   29   29
   13    1  0   30   30
   14    1  0   31   31
   15    1  0   32   32
   16    1  0   33   33
   17    1  0   34   34
   18    1  0   35   35
   19    1  0   36   36
 /BONDS       36   36
      1     1     2     1
      2     1     3     1
      3     1     4     2
      4     2     1     1
      5     2     5     1
      6     2     8     1
      7     2     9     1
      8     3     1     1
      9     3     6     1
     10     3    10     1
     11     3    11     1
     12     4     1     2
     13     5     2     1
     14     5     7     1
     15     5    12     1
     16     5    13     1
     17     6     3     1
     18     6    14     1
     19     6    15     1
     20     6    16     1
     21     7     5     1
     22     7    17     1
     23     7    18     1
     24     7    19     1
     25     8     2     1
     26     9     2     1
     27    10     3     1
     28    11     3     1
     29    12     5     1
     30    13     5     1
     31    14     6     1
     32    15     6     1
     33    16     6     1
     34    17     7     1
     35    18     7     1
     36    19     7     1
 /GRTEXT       1    2
 ED:       2 LVL: 2 C: 1
C6H12O               M: 100.09
 /END          0    0
 /MOLECULS     1    1
    1     1   12
 /MOLNAMES     1    2
  1
R3_P4-1_L2
 /ATOMS       12   12
    1    6  0    1    2
    2    6  0    3    6
    4    8  2    7    7
    5    6  0    8   11
    7    6  0   12   15
    8    1  0   16   16
    9    1  0   17   17
   12    1  0   18   18
   13    1  0   19   19
   17    1  0   20   20
   18    1  0   21   21
   19    1  0   22   22
 /BONDS       22   22
      1     1     2     1
      2     1     3     3
      3     2     1     1
      4     2     4     1
      5     2     6     1
      6     2     7     1
      7     3     1     3
      8     4     2     1
      9     4     5     1
     10     4     8     1
     11     4     9     1
     12     5     4     1
     13     5    10     1
     14     5    11     1
     15     5    12     1
     16     6     2     1
     17     7     2     1
     18     8     4     1
     19     9     4     1
     20    10     5     1
     21    11     5     1
     22    12     5     1
 /GRTEXT       1    2
 PR:       4 LVL: 2 ED:    2 C: 1
C4H7O                M:  71.05
 /END          0    0
 /MOLECULS     1    1
    1     1    7
 /MOLNAMES     1    2
  1
R3_P-2-2_L2
 /ATOMS        7    7
    3    6  1    1    3
    6    6  0    4    7
   10    1  0    8    8
   11    1  0    9    9
   14    1  0   10   10
   15    1  0   11   11
   16    1  0   12   12
 /BONDS       12   12
      1     1     2     1
      2     1     3     1
      3     1     4     1
      4     2     1     1
      5     2     5     1
      6     2     6     1
      7     2     7     1
      8     3     1     1
      9     4     1     1
     10     5     2     1
     11     6     2     1
     12     7     2     1
 /GRTEXT       1    2
 PR:      -2 LVL: 2 ED:    2 C: 0
C2H5                 M:  29.04
 /ENDBLOCK     0    0
 /REACINFO     1    7
      4   2   1   2   0
        2
        5       -3
   4   6   6   0   0
   4   1   2   5   7  17
 T T
 T 0.3000     T 0.3000     F     0.     F     0.    
 /MOLECULS     1    1
    1     1   19
 /MOLNAMES     1    2
  1
R4_E2_L2
 /ATOMS       19   19
    1    6  0    1    3
    2    6  0    4    7
    3    6  0    8   11
    4    8  3   12   12
    5    6  0   13   16
    6    6  0   17   20
    7    6  0   21   24
    8    1  0   25   25
    9    1  0   26   26
   10    1  0   27   27
   11    1  0   28   28
   12    1  0   29   29
   13    1  0   30   30
   14    1  0   31   31
   15    1  0   32   32
   16    1  0   33   33
   17    1  0   34   34
   18    1  0   35   35
   19    1  0   36   36
 /BONDS       36   36
      1     1     2     1
      2     1     3     1
      3     1     4     2
      4     2     1     1
      5     2     5     1
      6     2     8     1
      7     2     9     1
      8     3     1     1
      9     3     6     1
     10     3    10     1
     11     3    11     1
     12     4     1     2
     13     5     2     1
     14     5     7     1
     15     5    12     1
     16     5    13     1
     17     6     3     1
     18     6    14     1
     19     6    15     1
     20     6    16     1
     21     7     5     1
     22     7    17     1
     23     7    18     1
     24     7    19     1
     25     8     2     1
     26     9     2     1
     27    10     3     1
     28    11     3     1
     29    12     5     1
     30    13     5     1
     31    14     6     1
     32    15     6     1
     33    16     6     1
     34    17     7     1
     35    18     7     1
     36    19     7     1
 /GRTEXT       1    2
 ED:       2 LVL: 2 C: 1
C6H12O               M: 100.09
 /END          0    0
 /MOLECULS     1    1
    1     1   13
 /MOLNAMES     1    2
  1
R4_P5-1_L2
 /ATOMS       13   13
    1    6  0    1    3
    2    6  0    4    6
    3    6  0    7   10
    4    8  3   11   12
    6    6  0   13   16
    8    1  0   17   17
    9    1  0   18   18
   10    1  0   19   19
   11    1  0   20   20
   14    1  0   21   21
   15    1  0   22   22
   16    1  0   23   23
   17    1  0   24   24
 /BONDS       24   24
      1     1     2     2
      2     1     3     1
      3     1     4     1
      4     2     1     2
      5     2     6     1
      6     2     7     1
      7     3     1     1
      8     3     5     1
      9     3     8     1
     10     3     9     1
     11     4     1     1
     12     4    13     1
     13     5     3     1
     14     5    10     1
     15     5    11     1
     16     5    12     1
     17     6     2     1
     18     7     2     1
     19     8     3     1
     20     9     3     1
     21    10     5     1
     22    11     5     1
     23    12     5     1
     24    13     4     1
 /GRTEXT       1    2
 PR:       5 LVL: 2 ED:    2 C: 1
C4H8O                M:  72.06
 /END          0    0
 /MOLECULS     1    1
    1     1    6
 /MOLNAMES     1    2
  1
R4_P-3-2_L2
 /ATOMS        6    6
    5    6  0    1    3
    7    6  0    4    6
   12    1  0    7    7
   13    1  0    8    8
   18    1  0    9    9
   19    1  0   10   10
 /BONDS       10   10
      1     1     2     2
      2     1     3     1
      3     1     4     1
      4     2     1     2
      5     2     5     1
      6     2     6     1
      7     3     1     1
      8     4     1     1
      9     5     2     1
     10     6     2     1
 /GRTEXT       1    2
 PR:      -3 LVL: 2 ED:    2 C: 0
C2H4                 M:  28.03
 /ENDBLOCK     0    0
 /REACINFO     1    7
      5   3   1   2   0
        3
       -4        6
   3   3   3   0   0
   4   1   3
 T T
 T  1.000     T 0.4544     F     0.     F     0.    
 /MOLECULS     1    1
    1     1    9
 /MOLNAMES     1    2
  1
R5_E3_L3
 /ATOMS        9    9
    1    6  0    1    2
    3    6  0    3    6
    4    8  2    7    7
    6    6  0    8   11
   10    1  0   12   12
   11    1  0   13   13
   14    1  0   14   14
   15    1  0   15   15
   16    1  0   16   16
 /BONDS       16   16
      1     1     2     1
      2     1     3     3
      3     2     1     1
      4     2     4     1
      5     2     5     1
      6     2     6     1
      7     3     1     3
      8     4     2     1
      9     4     7     1
     10     4     8     1
     11     4     9     1
     12     5     2     1
     13     6     2     1
     14     7     4     1
     15     8     4     1
     16     9     4     1
 /GRTEXT       1    2
 ED:       3 LVL: 3 C: 1
C3H5O                M:  57.03
 /END          0    0
 /MOLECULS     1    1
    1     1    2
 /MOLNAMES     1    2
  1
R5_P-4-1_L3
 /ATOMS        2    2
    1    6  2    1    1
    4    8  2    2    2
 /BONDS        2    2
      1     1     2     3
      2     2     1     3
 /GRTEXT       1    2
 PR:      -4 LVL: 3 ED:    3 C: 0
CO                   M:  27.99
 /END          0    0
 /MOLECULS     1    1
    1     1    7
 /MOLNAMES     1    2
  1
R5_P6-2_L3
 /ATOMS        7    7
    3    6  0    1    3
    6    6  0    4    7
   10    1  0    8    8
   11    1  0    9    9
   14    1  0   10   10
   15    1  0   11   11
   16    1  0   12   12
 /BONDS       12   12
      1     1     2     1
      2     1     3     1
      3     1     4     1
      4     2     1     1
      5     2     5     1
      6     2     6     1
      7     2     7     1
      8     3     1     1
      9     4     1     1
     10     5     2     1
     11     6     2     1
     12     7     2     1
 /GRTEXT       1    2
 PR:       6 LVL: 3 ED:    3 C: 1
C2H5                 M:  29.04
 /ENDBLOCK     0    0
 /REACINFO     1    7
      6   3   1   2   0
        4
       -5        7
   3   3   3   0   0
   4   1   2
 T T
 T  1.000     T 0.4531     F     0.     F     0.    
 /MOLECULS     1    1
    1     1   12
 /MOLNAMES     1    2
  1
R6_E4_L3
 /ATOMS       12   12
    1    6  0    1    2
    2    6  0    3    6
    4    8  2    7    7
    5    6  0    8   11
    7    6  0   12   15
    8    1  0   16   16
    9    1  0   17   17
   12    1  0   18   18
   13    1  0   19   19
   17    1  0   20   20
   18    1  0   21   21
   19    1  0   22   22
 /BONDS       22   22
      1     1     2     1
      2     1     3     3
      3     2     1     1
      4     2     4     1
      5     2     6     1
      6     2     7     1
      7     3     1     3
      8     4     2     1
      9     4     5     1
     10     4     8     1
     11     4     9     1
     12     5     4     1
     13     5    10     1
     14     5    11     1
     15     5    12     1
     16     6     2     1
     17     7     2     1
     18     8     4     1
     19     9     4     1
     20    10     5     1
     21    11     5     1
     22    12     5     1
 /GRTEXT       1    2
 ED:       4 LVL: 3 C: 1
C4H7O                M:  71.05
 /END          0    0
 /MOLECULS     1    1
    1     1    2
 /MOLNAMES     1    2
  1
R6_P-5-1_L3
 /ATOMS        2    2
    1    6  2    1    1
    4    8  2    2    2
 /BONDS        2    2
      1     1     2     3
      2     2     1     3
 /GRTEXT       1    2
 PR:      -5 LVL: 3 ED:    4 C: 0
CO                   M:  27.99
 /END          0    0
 /MOLECULS     1    1
    1     1   10
 /MOLNAMES     1    2
  1
R6_P7-2_L3
 /ATOMS       10   10
    2    6  0    1    3
    5    6  0    4    7
    7    6  0    8   11
    8    1  0   12   12
    9    1  0   13   13
   12    1  0   14   14
   13    1  0   15   15
   17    1  0   16   16
   18    1  0   17   17
   19    1  0   18   18
 /BONDS       18   18
      1     1     2     1
      2     1     4     1
      3     1     5     1
      4     2     1     1
      5     2     3     1
      6     2     6     1
      7     2     7     1
      8     3     2     1
      9     3     8     1
     10     3     9     1
     11     3    10     1
     12     4     1     1
     13     5     1     1
     14     6     2     1
     15     7     2     1
     16     8     3     1
     17     9     3     1
     18    10     3     1
 /GRTEXT       1    2
 PR:       7 LVL: 3 ED:    4 C: 1
C3H7                 M:  43.05
 /ENDBLOCK     0    0
 /REACINFO     1    7
      7   3   1   2   0
        5
        8       -6
   1   3   3   0   0
   2   1   3
 T T
 T  1.000     T 0.2127     F     0.     F     0.    
 /MOLECULS     1    1
    1     1   13
 /MOLNAMES     1    2
  1
R7_E5_L3
 /ATOMS       13   13
    1    6  0    1    3
    2    6  1    4    6
    3    6  0    7   10
    4    8  2   11   12
    6    6  0   13   16
    8    1  0   17   17
    9    1  0   18   18
   10    1  0   19   19
   11    1  0   20   20
   14    1  0   21   21
   15    1  0   22   22
   16    1  0   23   23
   17    1  0   24   24
 /BONDS       24   24
      1     1     2     1
      2     1     3     1
      3     1     4     2
      4     2     1     1
      5     2     6     1
      6     2     7     1
      7     3     1     1
      8     3     5     1
      9     3     8     1
     10     3     9     1
     11     4     1     2
     12     4    13     1
     13     5     3     1
     14     5    10     1
     15     5    11     1
     16     5    12     1
     17     6     2     1
     18     7     2     1
     19     8     3     1
     20     9     3     1
     21    10     5     1
     22    11     5     1
     23    12     5     1
     24    13     4     1
 /GRTEXT       1    2
 ED:       5 LVL: 3 C: 1
C4H8O                M:  72.06
 /END          0    0
 /MOLECULS     1    1
    1     1    6
 /MOLNAMES     1    2
  1
R7_P8-1_L3
 /ATOMS        6    6
    1    6  0    1    2
    2    6  0    3    5
    4    8  2    6    7
    8    1  0    8    8
    9    1  0    9    9
   17    1  0   10   10
 /BONDS       10   10
      1     1     2     2
      2     1     3     2
      3     2     1     2
      4     2     4     1
      5     2     5     1
      6     3     1     2
      7     3     6     1
      8     4     2     1
      9     5     2     1
     10     6     3     1
 /GRTEXT       1    2
 PR:       8 LVL: 3 ED:    5 C: 1
C2H3O                M:  43.02
 /END          0    0
 /MOLECULS     1    1
    1     1    7
 /MOLNAMES     1    2
  1
R7_P-6-2_L3
 /ATOMS        7    7
    3    6  1    1    3
    6    6  0    4    7
   10    1  0    8    8
   11    1  0    9    9
   14    1  0   10   10
   15    1  0   11   11
   16    1  0   12   12
 /BONDS       12   12
      1     1     2     1
      2     1     3     1
      3     1     4     1
      4     2     1     1
      5     2     5     1
      6     2     6     1
      7     2     7     1
      8     3     1     1
      9     4     1     1
     10     5     2     1
     11     6     2     1
     12     7     2     1
 /GRTEXT       1    2
 PR:      -6 LVL: 3 ED:    5 C: 0
C2H5                 M:  29.04
 /ENDBLOCK     0    0
 /CPEAKS      10   10
    29    72
    30     1
    43    86
    44     2
    57    85
    58     2
    71    71
    72   100
    73     4
   100    11
 /FRAGS        7   14
 16728    29.04  1 'C2H5'                                                       
    6   2    1   5
  6218    43.02  1 'C2H3O'                                                      
    6   2    1   3    8   1
 14093    43.05  1 'C3H7'                                                       
    6   3    1   7
 20089    57.03  1 'C3H5O'                                                      
    6   3    1   5    8   1
 17008    71.05  1 'C4H7O'                                                      
    6   4    1   7    8   1
 23010    72.06  1 'C4H8O'                                                      
    6   4    1   8    8   1
  2854   100.09  1 'C6H12O'                                                     
    6   6    1  12    8   1
 /END          0    0