CH3CHN.mol
  -ISIS-            3D

  7  6  0  0  0  0  0  0  0  0  0
   -0.3274    0.3004    0.0006 C   0  0  0  0  0
    1.1963    0.3266    0.0001 C   0  0  0  0  0
   -0.8357    1.2948    0.0101 H   0  0  0  0  0
   -1.0354   -0.7361   -0.0097 N   0  0  0  0  0
    1.6040   -0.6951    0.0006 H   0  0  0  0  0
    1.5551    0.8678   -0.8931 H   0  0  0  0  0
    1.5561    0.8693    0.8919 H   0  0  0  0  0
  1  2  1  0  0  0
  1  3  1  0  0  0
  1  4  2  0  0  0
  2  5  1  0  0  0
  2  6  1  0  0  0
  2  7  1  0  0  0
<MULTIPLICITY>
 2