KEGG:C09545  beta-Santonin
  ISISHOST03240423232D 1   1.00000     0.00000  8587
 20 22  0     1  0            999 V2000
    5.1641  -12.4148    0.0000 C   0  0  2  0  0  0           0  0  0
    4.4786  -12.0113    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8572  -12.0148    0.0000 C   0  0  1  0  0  0           0  0  0
    5.1641  -13.2107    0.0000 O   0  0  0  0  0  0           0  0  0
    4.4820  -11.2155    0.0000 C   0  0  1  0  0  0           0  0  0
    3.7965  -12.4113    0.0000 C   0  0  0  0  0  0           0  0  0
    5.8641  -11.2224    0.0000 C   0  0  0  0  0  0           0  0  0
    6.5461  -12.4148    0.0000 C   0  0  2  0  0  0           0  0  0
    6.5461  -13.2107    0.0000 C   0  0  0  0  0  0           0  0  0
    5.1745  -10.8232    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7965  -10.8197    0.0000 C   0  0  0  0  0  0           0  0  0
    4.4751  -10.4197    0.0000 C   0  0  0  0  0  0           0  0  0
    3.1042  -12.0113    0.0000 C   0  0  0  0  0  0           0  0  0
    3.7965  -13.2072    0.0000 C   0  0  0  0  0  0           0  0  0
    7.2350  -12.0182    0.0000 C   0  0  0  0  0  0           0  0  0
    7.1074  -13.7754    0.0000 O   0  0  0  0  0  0           0  0  0
    3.1042  -11.2155    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4152  -12.4113    0.0000 O   0  0  0  0  0  0           0  0  0
    5.1375  -11.5546    0.0000 H   0  0  0  0  0  0           0  0  0
    6.5427  -11.6155    0.0000 H   0  0  0  0  0  0           0  0  0
  1  2  1  0     0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  2  5  1  0     0  0
  2  6  2  0     0  0
  3  7  1  0     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  5 10  1  0     0  0
  5 11  1  0     0  0
  5 12  1  1     0  0
  6 13  1  0     0  0
  6 14  1  0     0  0
  8 15  1  1     0  0
  9 16  2  0     0  0
 11 17  2  0     0  0
 13 18  2  0     0  0
  7 10  1  0     0  0
  8  9  1  0     0  0
 13 17  1  0     0  0
  1 19  1  1     0  0
  3 20  1  6     0  0
M  END