KEGG:C09629  beta-Caryophyllene
  ISISHOST03240423232D 1   1.00000     0.00000  8671
 17 18  0     1  0            999 V2000
   15.7315  -14.6755    0.0000 C   0  0  1  0  0  0           0  0  0
   15.7315  -15.5142    0.0000 C   0  0  2  0  0  0           0  0  0
   16.3219  -14.0928    0.0000 C   0  0  0  0  0  0           0  0  0
   14.8893  -14.6790    0.0000 C   0  0  3  0  0  0           0  0  0
   14.8893  -15.5177    0.0000 C   0  0  0  0  0  0           0  0  0
   16.3219  -16.1115    0.0000 C   0  0  0  0  0  0           0  0  0
   17.1605  -14.0928    0.0000 C   0  0  0  0  0  0           0  0  0
   14.2893  -14.0859    0.0000 C   0  0  0  0  0  0           0  0  0
   14.0714  -14.8970    0.0000 C   0  0  0  0  0  0           0  0  0
   17.1605  -16.1115    0.0000 C   0  0  0  0  0  0           0  0  0
   16.0046  -16.8846    0.0000 C   0  0  0  0  0  0           0  0  0
   17.7509  -14.6755    0.0000 C   0  0  0  0  0  0           0  0  0
   17.7509  -15.5142    0.0000 C   0  0  0  0  0  0           0  0  0
   17.1536  -15.2728    0.0000 C   0  0  0  0  0  0           0  0  0
   18.5551  -14.4583    0.0000 C   0  0  0  0  0  0           0  0  0
   15.7246  -13.8370    0.0000 H   0  0  0  0  0  0           0  0  0
   15.6829  -16.2661    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  1  0     0  0
  3  7  1  0     0  0
  4  8  1  0     0  0
  4  9  1  0     0  0
  6 10  1  0     0  0
  6 11  2  0     0  0
  7 12  1  0     0  0
 10 13  1  0     0  0
 12 14  2  0     0  0
 12 15  1  0     0  0
  4  5  1  0     0  0
 13 14  1  0     0  0
  1 16  1  1     0  0
  2 17  1  6     0  0
M  END