KEGG:C07600  Allicin
  ISISHOST03240423172D 1   1.00000     0.00000  6645
  9  8  0     0  0            999 V2000
   -0.3172   -0.0897    0.0000 S   0  0  3  0  0  0           0  0  0
    0.3966    0.3241    0.0000 S   0  0  0  0  0  0           0  0  0
   -1.0345    0.3207    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.3207   -0.9207    0.0000 O   0  0  0  0  0  0           0  0  0
    1.1138   -0.0897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7483   -0.0966    0.0000 C   0  0  0  0  0  0           0  0  0
    1.8310    0.3241    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.4655    0.3172    0.0000 C   0  0  0  0  0  0           0  0  0
    2.5448   -0.0897    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  2  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  5  7  1  0     0  0
  6  8  2  0     0  0
  7  9  2  0     0  0
M  END