1deHacetonitriler.mol
  -ISIS-            3D

  5  4  0  0  0  0  0  0  0  0  0
   -1.2831   -0.0006   -0.0005 C   0  0  0  0  0
    0.0973   -0.0003   -0.0007 C   0  0  0  0  0
   -1.8344    0.9438    0.0004 H   0  0  0  0  0
   -1.8347   -0.9450    0.0004 H   0  0  0  0  0
    1.2843    0.0012    0.0006 N   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  2  0  0  0
<MULTIPLICITY>
 2