S2s.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.9760 0.0000 0.0000 S 0 0 0 0 0 0.9760 0.0000 0.0000 S 0 0 0 0 0 1 2 1 0 0 0 M END