KEGG:C01812  Haloacetate
  ISISHOST03240423052D 1   1.00000     0.00000  1654
  5  4  0     0  0            999 V2000
    0.2862    0.0000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4310    0.4172    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2897   -0.8310    0.0000 O   0  0  0  0  0  0           0  0  0
    1.0035    0.4172    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.1483    0.0000    0.0000 X   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
M  END