KEGG:C09906  Thujone
  ISISHOST03240423242D 1   1.00000     0.00000  8948
 12 13  0     1  0            999 V2000
   -0.1172   -0.3310    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.6207    0.3241    0.0000 C   0  0  2  0  0  0           0  0  0
   -0.9345   -0.4448    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6621   -0.0621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.1241   -1.1586    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.1448    1.0035    0.0000 C   0  0  2  0  0  0           0  0  0
    0.6448    0.7621    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.8414   -1.5655    0.0000 C   0  0  0  0  0  0           0  0  0
    0.5862   -1.5759    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4138    1.7828    0.0000 C   0  0  0  0  0  0           0  0  0
    1.3035    1.2621    0.0000 O   0  0  0  0  0  0           0  0  0
   -1.4483    0.3276    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
  1  5  1  1     0  0
  2  6  1  0     0  0
  4  7  1  0     0  0
  5  8  1  0     0  0
  5  9  1  0     0  0
  6 10  1  1     0  0
  7 11  2  0     0  0
  2  3  1  0     0  0
  6  7  1  0     0  0
  2 12  1  1     0  0
M  END