ClF.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -1.0866 0.0000 0.0000 F 0 0 0 0 0 0.6084 0.0000 0.0000 Cl 0 0 0 0 0 1 2 1 0 0 0 M END