KEGG:C11723  Hexobarbitone
  ISISHOST03240423292D 1   1.00000     0.00000 12874
 17 18  0     0  0            999 V2000
   12.4522   -6.7833    0.0000 C   0  0  0  0  0  0           0  0  0
   12.4442   -5.9583    0.0000 C   0  0  0  0  0  0           0  0  0
   11.7240   -5.5528    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0161   -5.9722    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0241   -6.7972    0.0000 C   0  0  0  0  0  0           0  0  0
   11.7401   -7.2027    0.0000 C   0  0  0  0  0  0           0  0  0
   10.3134   -7.2162    0.0000 C   0  0  3  0  0  0           0  0  0
    9.5965   -6.8091    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8857   -7.2281    0.0000 N   0  0  0  0  0  0           0  0  0
    8.8932   -8.0531    0.0000 C   0  0  0  0  0  0           0  0  0
    9.6113   -8.4591    0.0000 N   0  0  3  0  0  0           0  0  0
   10.3220   -8.0401    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0354   -7.6221    0.0000 C   0  0  0  0  0  0           0  0  0
   11.0405   -8.4456    0.0000 O   0  0  0  0  0  0           0  0  0
    9.6187   -9.2840    0.0000 C   0  0  0  0  0  0           0  0  0
    8.1824   -8.4719    0.0000 O   0  0  0  0  0  0           0  0  0
    9.5897   -5.9842    0.0000 O   0  0  0  0  0  0           0  0  0
  3  4  1  0     0  0
  4  5  2  0     0  0
  5  6  1  0     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  9 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12  7  1  0     0  0
  6  1  1  0     0  0
  7 13  1  0     0  0
 12 14  2  0     0  0
  5  7  1  0     0  0
 11 15  1  0     0  0
  1  2  1  0     0  0
 10 16  2  0     0  0
  2  3  1  0     0  0
  8 17  2  0     0  0
M  END