KEGG:C09705  Patchouli alcohol
  ISISHOST03240423232D 1   1.00000     0.00000  8747
 16 18  0     1  0            999 V2000
    0.2069   -0.0931    0.0000 C   0  0  2  0  0  0           0  0  0
    0.2069    0.7379    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.5103   -0.5103    0.0000 C   0  0  3  0  0  0           0  0  0
    0.9172   -0.5103    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.6000    0.1241    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6103    0.0207    0.0000 C   0  0  3  0  0  0           0  0  0
   -0.5103    1.1483    0.0000 C   0  0  0  0  0  0           0  0  0
    0.9172    1.1517    0.0000 O   0  0  0  0  0  0           0  0  0
   -0.1034   -1.2207    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2310   -0.0931    0.0000 C   0  0  2  0  0  0           0  0  0
    1.3241   -1.2207    0.0000 C   0  0  0  0  0  0           0  0  0
    0.6069   -0.8103    0.0000 C   0  0  3  0  0  0           0  0  0
    1.3276    0.4414    0.0000 C   0  0  0  0  0  0           0  0  0
    0.0207    0.6103    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.2310    0.7379    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.9483   -0.5103    0.0000 C   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  6     0  0
  2  6  1  0     0  0
  2  7  1  0     0  0
  2  8  1  0     0  0
  3  9  1  0     0  0
  3 10  1  0     0  0
  4 11  1  0     0  0
  6 12  1  0     0  0
  6 13  1  0     0  0
  6 14  1  0     0  0
  7 15  1  0     0  0
 10 16  1  1     0  0
  9 12  1  0     0  0
 10 15  1  0     0  0
 11 12  1  0     0  0
M  END