diiminet.mol
  -ISIS-            3D

  4  3  0  0  0  0  0  0  0  0  0
   -0.6375   -0.0439    0.0372 N   0  0  0  0  0
    0.6377   -0.0244    0.0523 N   0  0  0  0  0
   -1.1569    0.8561    0.0234 H   0  0  0  0  0
    1.1569   -0.2469   -0.8200 H   0  0  0  0  0
  1  2  2  0  0  0
  1  3  1  0  0  0
  2  4  1  0  0  0
<MULTIPLICITY>
 3