NH2+bnt.mol -ISIS- 3D 3 2 0 0 0 0 0 0 0 0 0 -0.0845 -0.1614 0.0000 N 0 0 0 0 0 0.9729 0.0058 0.0001 H 0 0 0 0 0 -0.5490 0.8032 0.0001 H 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 1