CN.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.6346 0.0000 0.0000 C 0 0 0 0 0 0.5459 0.0000 0.0000 N 0 0 0 0 0 1 2 2 0 0 0 2 M END