CS.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -1.1083 0.0000 0.0000 C 0 0 0 0 0 0.4501 0.0000 0.0000 S 0 0 0 0 0 1 2 3 0 0 0 M END