CH-t.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.1005 0.0000 0.0000 C 0 0 0 0 0 1.0639 0.0000 0.0000 H 0 0 0 0 0 1 2 1 0 0 0 -1 3