HCNt.mol
  -ISIS-            3D

  3  2  0  0  0  0  0  0  0  0  0
   -0.6754   -0.1481    0.0000 C   0  0  0  0  0
    0.6034    0.0479    0.0001 N   0  0  0  0  0
   -1.3421    0.7647    0.0004 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
<MULTIPLICITY>
 3