pentene.mol
  -ISIS-            3D

 15 14  0  0  0  0  0  0  0  0  0
    0.0042   -0.0017    0.0000 C   0  0  0  0  0
    1.5526    0.0043    0.0019 C   0  0  0  0  0
    2.1345    1.3945   -0.0023 C   0  0  0  0  0
    2.8865    1.9187    0.9796 C   0  0  0  0  0
    3.1415    1.3336    1.8730 H   0  0  0  0  0
    3.2712    2.9431    0.9299 H   0  0  0  0  0
    1.8919    2.0121   -0.8815 H   0  0  0  0  0
    1.9244   -0.5575    0.8813 H   0  0  0  0  0
    1.9064   -0.5449   -0.8960 H   0  0  0  0  0
   -0.5740   -1.4276   -0.0493 C   0  0  0  0  0
   -0.2415   -2.0210    0.8218 H   0  0  0  0  0
   -1.6778   -1.4198   -0.0462 H   0  0  0  0  0
   -0.2424   -1.9593   -0.9599 H   0  0  0  0  0
   -0.3633    0.5841   -0.8651 H   0  0  0  0  0
   -0.3574    0.5251    0.9036 H   0  0  0  0  0
  1  2  1  0  0  0
  1 10  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2  8  1  0  0  0
  2  9  1  0  0  0
  3  4  2  0  0  0
  3  7  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 10 13  1  0  0  0