NHs.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 0.0196 0.0000 0.0000 N 0 0 0 0 0 1.0764 0.0000 0.0000 H 0 0 0 0 0 1 2 1 0 0 0 M END