SO-2.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -1.2008 0.0000 0.0000 O 0 0 0 0 0 0.6230 0.0000 0.0000 S 0 0 0 0 0 1 2 1 0 0 0 -2 M END