HSC+.mol -ISIS- 3D 3 2 0 0 0 0 0 0 0 0 0 0.9134 -0.0009 0.0000 S 0 0 0 0 0 2.3373 -0.0004 0.0001 H 0 0 0 0 0 -0.6848 0.0005 0.0000 C 0 0 0 0 0 1 2 1 0 0 0 1 3 2 0 0 0 1