KEGG:C02233  3-Oxopentanoic acid
  ISISHOST03240423062D 1   1.00000     0.00000  2020
  8  7  0     0  0            999 V2000
   -0.4069    0.0483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2448    0.4207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.0552    0.4207    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4069   -0.7034    0.0000 O   0  0  0  0  0  0           0  0  0
    0.8931    0.0483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.7035    0.0483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8931   -0.7034    0.0000 O   0  0  0  0  0  0           0  0  0
    1.5414    0.4207    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  2  0     0  0
  2  5  1  0     0  0
  3  6  1  0     0  0
  5  7  1  0     0  0
  5  8  2  0     0  0
M  END