CF+2.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.7089 0.0000 0.0000 C 0 0 0 0 0 0.4395 0.0000 0.0000 F 0 0 0 0 0 1 2 2 0 0 0 2 2