OCScyc.mol -ISIS- 3D 3 3 0 0 0 0 0 0 0 0 0 -1.1403 -0.2328 0.0000 O 0 0 0 0 0 0.8360 -0.1949 0.0000 S 0 0 0 0 0 -0.6533 0.9038 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 2 3 1 0 0 0