KEGG:C07490  Trichloroethanol
  ISISHOST03240423172D 1   1.00000     0.00000  6536
  6  5  0     0  0            999 V2000
   -0.2379    0.1379    0.0000 C   0  0  3  0  0  0           0  0  0
    0.4793   -0.2759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.9552   -0.2759    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.2379    0.9655    0.0000 Cl  0  0  0  0  0  0           0  0  0
   -0.2414   -0.6931    0.0000 Cl  0  0  0  0  0  0           0  0  0
    1.1931    0.1379    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  5  1  0     0  0
  2  6  1  0     0  0
M  END