SF.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.0349 0.0000 0.0000 S 0 0 0 0 0 1.6200 0.0000 0.0000 F 0 0 0 0 0 1 2 1 0 0 0 2