pentenerp.mol
  -ISIS-            3D

 15 14  0  0  0  0  0  0  0  0  0
   -0.0833   -0.0682    0.0007 C   0  0  0  0  0
    1.4314    0.0436    0.0256 C   0  0  0  0  0
    2.1390    1.3247    0.0211 C   0  0  0  0  0
    1.5819    2.5692   -0.2751 C   0  0  0  0  0
    0.5943    2.6611   -0.7480 H   0  0  0  0  0
    2.1239    3.4978   -0.0563 H   0  0  0  0  0
    3.2204    1.2843    0.2349 H   0  0  0  0  0
    1.8897   -0.6428    0.7838 H   0  0  0  0  0
    1.9063   -0.4646   -0.8816 H   0  0  0  0  0
   -0.5996   -1.4730   -0.3418 C   0  0  0  0  0
   -0.2496   -2.2335    0.3814 H   0  0  0  0  0
   -1.7011   -1.4901   -0.3217 H   0  0  0  0  0
   -0.2727   -1.7952   -1.3466 H   0  0  0  0  0
   -0.4667    0.2295    1.0038 H   0  0  0  0  0
   -0.5321    0.6855   -0.6846 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
M  END