NHt.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.9518 0.0000 0.0000 H 0 0 0 0 0 0.1076 0.0000 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 3 M END