COp.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.6447 0.0000 0.0000 C 0 0 0 0 0 0.4860 0.0000 0.0000 O 0 0 0 0 0 1 2 3 0 0 0 1 2