allyl.mol
  -ISIS-            3D

  8  7  0  0  0  0  0  0  0  0  0
   -0.0017    0.0031   -0.0001 C   0  0  0  0  0
    1.3920    0.0004   -0.0001 C   0  0  0  0  0
    1.9611    0.9342    0.0000 H   0  0  0  0  0
    1.9539   -0.9414   -0.0012 H   0  0  0  0  0
   -0.8002   -1.1392   -0.0014 C   0  0  0  0  0
   -0.3519   -2.1400   -0.0025 H   0  0  0  0  0
   -1.8914   -1.0684   -0.0010 H   0  0  0  0  0
   -0.5088    0.9790    0.0003 H   0  0  0  0  0
  1  2  2  0  0  0
  1  5  2  0  0  0
  1  8  1  0  0  0
  2  3  1  0  0  0
  2  4  1  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
M  END
<MULTIPLICITY>
2