HSCHO2.mol -ISIS- 3D 6 6 0 0 0 0 0 0 0 0 0 -1.3811 -0.3946 -0.0254 S 0 0 0 0 0 0.4240 -0.4051 -0.0120 C 0 0 0 0 0 -1.4710 0.9659 0.0104 H 0 0 0 0 0 0.8130 -1.4367 -0.0277 H 0 0 0 0 0 1.1441 0.5474 -0.7609 O 0 0 0 0 0 1.1314 0.5200 0.7818 O 0 0 0 0 0 1 2 1 0 0 0 1 3 1 0 0 0 2 4 1 0 0 0 2 5 1 0 0 0 2 6 1 0 0 0 5 6 1 0 0 0