NSF.mol -ISIS- 3D 3 2 0 0 0 0 0 0 0 0 0 -0.3908 -0.2278 0.0001 S 0 0 0 0 0 1.3734 -0.4115 0.0000 F 0 0 0 0 0 -0.9379 1.1390 0.0000 N 0 0 0 0 0 1 2 1 0 0 0 1 3 3 0 0 0