KEGG:C06423  Octanoic acid
  ISISHOST03240423142D 1   1.00000     0.00000  5494
 10  9  0     0  0            999 V2000
   -0.5034    0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2172   -0.2897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2207   -0.2897    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9345    0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9414    0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
    1.6517   -0.2897    0.0000 C   0  0  0  0  0  0           0  0  0
   -2.6586   -0.2897    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.9414    0.9552    0.0000 O   0  0  0  0  0  0           0  0  0
    2.3724    0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
    3.0862   -0.2897    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
  4  6  1  0     0  0
  5  7  1  0     0  0
  5  8  2  0     0  0
  6  9  1  0     0  0
  9 10  1  0     0  0
M  END