KEGG:C01585  Hexanoic acid
  ISISHOST03240423042D 1   1.00000     0.00000  1452
  8  7  0     0  0            999 V2000
   -0.5345   -0.3103    0.0000 C   0  0  0  0  0  0           0  0  0
    0.1759    0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2517    0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
    0.8931   -0.3103    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9621   -0.3103    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.2517    0.9276    0.0000 O   0  0  0  0  0  0           0  0  0
    1.6069    0.1034    0.0000 C   0  0  0  0  0  0           0  0  0
    2.3207   -0.3103    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