NCls.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.0315 0.0000 0.0000 N 0 0 0 0 0 1.6016 0.0000 0.0000 CL 0 0 0 0 0 1 2 1 0 0 0