KEGG:C09723  beta-Selinene
  ISISHOST03240423232D 1   1.00000     0.00000  8765
 16 17  0     1  0            999 V2000
   -0.4310   -0.1897    0.0000 C   0  0  1  0  0  0           0  0  0
   -0.4276    0.6414    0.0000 C   0  0  1  0  0  0           0  0  0
    0.2862   -0.6103    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1448   -0.6069    0.0000 C   0  0  0  0  0  0           0  0  0
    0.2931    1.0483    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1448    1.0517    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4345    1.4690    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0035   -0.1966    0.0000 C   0  0  1  0  0  0           0  0  0
   -1.8655   -0.1897    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.1414   -1.4345    0.0000 C   0  0  0  0  0  0           0  0  0
    1.0069    0.6345    0.0000 C   0  0  0  0  0  0           0  0  0
   -1.8655    0.6414    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7172   -0.6138    0.0000 C   0  0  0  0  0  0           0  0  0
    1.7138   -1.4448    0.0000 C   0  0  0  0  0  0           0  0  0
    2.4379   -0.2000    0.0000 C   0  0  0  0  0  0           0  0  0
   -0.4414   -1.0138    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
  2  7  1  1     0  0
  3  8  1  0     0  0
  4  9  1  0     0  0
  4 10  2  0     0  0
  5 11  1  0     0  0
  6 12  1  0     0  0
  8 13  1  1     0  0
 13 14  1  0     0  0
 13 15  2  0     0  0
  8 11  1  0     0  0
  9 12  1  0     0  0
  1 16  1  6     0  0
M  END