CN+.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.5415 0.0000 0.0000 N 0 0 0 0 0 0.6454 0.0000 0.0000 C 0 0 0 0 0 1 2 2 0 0 0 M END 1