CCHNO.mol
  -ISIS-            3D

  5  4  0  0  0  0  0  0  0  0  0
   -0.8901    0.5320    0.0614 C   0  0  0  0  0
    0.6720    0.4308   -0.2009 N   0  0  0  0  0
   -1.1422    1.5947    0.0443 H   0  0  0  0  0
   -1.5880   -0.5743   -0.0513 C   0  0  0  0  0
    1.3121   -0.5107    0.1382 O   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  2  0  0  0