NO.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.6229 0.0000 0.0000 N 0 0 0 0 0 0.5482 0.0000 0.0000 O 0 0 0 0 0 1 2 2 0 0 0 2