KEGG:C00164  Acetoacetate
  ISISHOST03240423012D 1   1.00000     0.00000   162
  7  6  0     0  0            999 V2000
   -0.7138    0.0621    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0034    0.4724    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4276    0.4793    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7172   -0.7621    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7138    0.0552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7103   -0.7690    0.0000 O   0  0  0  0  0  0           0  0  0
    1.4310    0.4655    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
  5  6  1  0     0  0
  5  7  2  0     0  0
M  END