CCO.mol -ISIS- 3D 3 2 0 0 0 0 0 0 0 0 0 -0.0625 -0.0002 0.0000 C 0 0 0 0 0 1.1276 -0.0002 0.0000 O 0 0 0 0 0 -1.4333 0.0007 0.0000 C 0 0 0 0 0 1 2 2 0 0 0 1 3 2 0 0 0