/IDENT        1    1
EROS7 MS-RUN
 /MOLECULS     1    1
    1    1    9
 /ATOMS        9    9
 5 6 0 1 4
 6 6 0 5 8
 7 8 4 9 10
 11 1 0 11 11
 12 1 0 12 12
 13 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 4 1
 3 1 5 1
 4 1 6 1
 5 2 1 1
 6 2 3 1
 7 2 7 1
 8 2 8 1
 9 3 2 1
 10 3 9 1
 11 4 1 1
 12 5 1 1
 13 6 1 1
 14 7 2 1
 15 8 2 1
 16 9 3 1
 /GRTEXT       1    2
Molecule 17
starting conc. 0.0499501
 /CPEAKS       7    7
31   10000
32   120
33   20
45   2089
46   4733
47   115
48   10
 /PEAKS       19   19
    24      15
    25      91
    26     462
    27    1657
    28     527
    29    1226
    30     491
    31    9999
    32     101
    33      18
    40       7   
    41      37
    42     217
    43     706
    44     172
    45    4887
    46    1794
    47      53
    48       4   
 /MOLNAMES     1    2
  1
ETHANOL
 /ENDBLOCK     0    0