KEGG:C09691  Isocaryophyllene
  ISISHOST03240423232D 1   1.00000     0.00000  8733
 17 18  0     1  0            999 V2000
   14.9310  -13.1207    0.0000 C   0  0  3  0  0  0           0  0  0
   14.9310  -13.9635    0.0000 C   0  0  0  0  0  0           0  0  0
   14.3227  -12.5193    0.0000 C   0  0  0  0  0  0           0  0  0
   14.1089  -13.3345    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7704  -12.2703    0.0000 H   0  0  0  0  0  0           0  0  0
   15.6496  -14.5620    0.0000 H   0  0  0  0  0  0           0  0  0
   16.3208  -12.4694    0.0000 C   0  0  0  0  0  0           0  0  0
   17.1538  -12.3314    0.0000 C   0  0  0  0  0  0           0  0  0
   17.8745  -12.7543    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7806  -13.1130    0.0000 C   0  0  2  0  0  0           0  0  0
   15.7773  -13.9600    0.0000 C   0  0  1  0  0  0           0  0  0
   16.3090  -14.6013    0.0000 C   0  0  0  0  0  0           0  0  0
   17.1352  -14.7504    0.0000 C   0  0  0  0  0  0           0  0  0
   18.1557  -13.5475    0.0000 C   0  0  0  0  0  0           0  0  0
   17.8601  -14.3367    0.0000 C   0  0  0  0  0  0           0  0  0
   15.8897  -15.3226    0.0000 C   0  0  0  0  0  0           0  0  0
   18.5194  -12.2212    0.0000 C   0  0  0  0  0  0           0  0  0
  1  3  1  0     0  0
  1  4  1  0     0  0
  1  2  1  0     0  0
 10  5  1  1     0  0
 11  6  1  6     0  0
  7  8  1  0     0  0
  8  9  1  0     0  0
  7 10  1  0     0  0
 10 11  1  0     0  0
 11 12  1  0     0  0
 12 13  1  0     0  0
 14  9  2  0     0  0
 14 15  1  0     0  0
 15 13  1  0     0  0
 10  1  1  0     0  0
 12 16  2  0     0  0
 11  2  1  0     0  0
  9 17  1  0     0  0
M  END