/IDENT        1    1
EROS7 MS-RUN
 /MOLECULS     1    1
    1    1    15
 /ATOMS       15   15
 5 6 0 1 4
 6 6 0 5 8
 11 1 0 9 9
 12 1 0 10 10
 13 1 0 11 11
 14 1 0 12 12
 15 1 0 13 13
 5 6 0 14 17
 6 6 0 18 21
 7 8 4 22 23
 11 1 0 24 24
 12 1 0 25 25
 13 1 0 26 26
 14 1 0 27 27
 15 1 0 28 28
 /BONDS       28   28
 1 1 2 1
 2 1 3 1
 3 1 4 1
 4 1 5 1
 5 2 1 1
 6 2 6 1
 7 2 7 1
 8 2 10 1
 9 3 1 1
 10 4 1 1
 11 5 1 1
 12 6 2 1
 13 7 2 1
 14 8 9 1
 15 8 11 1
 16 8 12 1
 17 8 13 1
 18 9 8 1
 19 9 10 1
 20 9 14 1
 21 9 15 1
 22 10 2 1
 23 10 9 1
 24 11 8 1
 25 12 8 1
 26 13 8 1
 27 14 9 1
 28 15 9 1
 /GRTEXT       1    2
Molecule 38
starting conc. 0.0151677
 /CPEAKS      13   13
31   10000
32   120
33   20
45   1976
46   46
47   4
59   3612
60   126
61   9
73   585
74   2479
75   115
76   7
 /PEAKS       26   26
    25      22
    26     282
    27    1670
    28     596
    29    3698
    30     136
    31    9999
    32      97
    33      19
    39      40
    41     624
    42     270
    43     717
    44     135
    45    3179
    46      76
    47      32
    57      71
    58      17
    59    3817
    60     129
    61      10
    72      59
    73     252
    74    2308
    75     119
 /MOLNAMES     1    2
  1
ETHER, DIETHYL
 /ENDBLOCK     0    0