/IDENT        1    1
EROS7 MS-RUN
 /MOLECULS     1    1
    1    1    3
 /ATOMS        3    3
 16 1 0 1 1
 7 8 4 2 3
 16 1 0 4 4
 /BONDS        4    4
 1 1 2 1
 2 2 3 1
 3 2 1 1
 4 3 2 1
 /GRTEXT       1    2
Molecule 42
starting conc. 0.0123175
 /CPEAKS       3    3
18   10000
19   7
20   20
 /ENDBLOCK     0    0