KEGG:C08380  Heptan-2-one
  ISISHOST03240423192D 1   1.00000     0.00000  7421
  8  7  0     0  0            999 V2000
   -0.5448   -0.2931    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1828    0.0966    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2483    0.1414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8828   -0.3379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9724   -0.2483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2207    0.9655    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6103    0.0552    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3103   -0.3828    0.0000 C   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  2  4  1  0     0  0
  3  5  1  0     0  0
  3  6  2  0     0  0
  4  7  1  0     0  0
  7  8  1  0     0  0
M  END