KEGG:C04022  S,S-Dimethyl-beta-propiothetin
  ISISHOST03240423092D 1   1.00000     0.00000  3485
  8  7  0     0  0            999 V2000
    0.6167  -10.9292    0.0000 O   0  5  0  0  0  0           0  0  0
    1.3333  -10.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    2.0500  -10.9292    0.0000 C   0  0  0  0  0  0           0  0  0
    2.7625  -10.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4792  -10.9292    0.0000 S   0  3  3  0  0  0           0  0  0
    4.1958  -10.5167    0.0000 C   0  0  0  0  0  0           0  0  0
    3.4792  -11.7583    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3333   -9.6875    0.0000 O   0  0  0  0  0  0           0  0  0
  4  5  1  0     0  0
  2  3  1  0     0  0
  5  6  1  0     0  0
  1  2  1  0     0  0
  5  7  1  0     0  0
  3  4  1  0     0  0
  2  8  2  0     0  0
M  CHG  2   1  -1   5   1
M  END