KEGG:C06101  Hexan-1-ol-6-oate
  ISISHOST03240423132D 1   1.00000     0.00000  5193
  9  9  0     0  0            999 V2000
    0.0034    0.7034    0.0000 O   0  0  0  0  0  0           0  0  0
    0.7448    0.3379    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.7379    0.3552    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9241   -0.4690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3966    0.8448    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.9310   -0.4483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.3793    0.8793    0.0000 O   0  0  0  0  0  0           0  0  0
    0.4034   -1.1035    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4241   -1.1000    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
  2  5  1  0     0  0
  3  6  1  0     0  0
  3  7  2  0     0  0
  4  8  1  0     0  0
  6  9  1  0     0  0
  8  9  1  0     0  0
M  END