test/data/acetaldehyde.sdf


1
2
3
4
5
6
7
8
9
10
11
12
13
14


  3  2  0  0  0  0  0  0  0  0  1 V2000
    2.3030   -0.6656    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1515    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   -0.6656    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  2  0  0  0  0
M  END
>  <ActivityOutcome_CPDBAS_Hamster>
active

$$$$