KEGG:C12113  Valiolone
  ISISHOST08180423302D 1   1.00000     0.00000 14202
 13 13  0     1  0            999 V2000
    9.5208   -8.5016    0.0000 C   0  0  0  0  0  0           0  0  0
    8.8039   -8.0933    0.0000 C   0  0  2  0  0  0           0  0  0
    8.0910   -8.5115    0.0000 C   0  0  2  0  0  0           0  0  0
    8.0970   -9.3343    0.0000 C   0  0  1  0  0  0           0  0  0
    8.8139   -9.7426    0.0000 C   0  0  2  0  0  0           0  0  0
    9.5247   -9.3281    0.0000 C   0  0  0  0  0  0           0  0  0
   10.2411   -9.7373    0.0000 O   0  0  0  0  0  0           0  0  0
    8.8180  -10.5676    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3852   -9.7515    0.0000 O   0  0  0  0  0  0           0  0  0
    7.3736   -8.1040    0.0000 O   0  0  0  0  0  0           0  0  0
    8.0891   -7.6813    0.0000 O   0  0  0  0  0  0           0  0  0
    8.7958   -7.2667    0.0000 C   0  0  0  0  0  0           0  0  0
    9.5062   -6.8472    0.0000 O   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  5  8  1  6     0  0
  2  3  1  0     0  0
  4  9  1  1     0  0
  3  4  1  0     0  0
  3 10  1  6     0  0
  4  5  1  0     0  0
  2 11  1  6     0  0
  5  6  1  0     0  0
  6  1  1  0     0  0
  2 12  1  1     0  0
  6  7  2  0     0  0
 12 13  1  0     0  0
M  END