N2+.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.5608 0.0000 0.0000 N 0 0 0 0 0 0.5608 0.0000 0.0000 N 0 0 0 0 0 1 2 3 0 0 0 M END 1 2