CS2+2.mol -ISIS- 3D 3 3 0 0 0 0 0 0 0 0 0 0.0001 -0.0005 -0.0003 C 0 0 0 0 0 1.5861 -0.0009 0.0002 S 0 0 0 0 0 -1.5860 0.0011 0.0002 S 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0 2 3 1 0 0 0 2