KEGG:C06142  1-Butanol
  ISISHOST03240423142D 1   1.00000     0.00000  5227
  5  4  0     0  0            999 V2000
    0.0034   -0.1655    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.7172    0.2448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.7138    0.2517    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.4310   -0.1690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.4310   -0.1655    0.0000 O   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
M  END