O2-2.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.8321 0.0000 0.0000 O 0 0 0 0 0 0.8322 0.0000 0.0000 O 0 0 0 0 0 1 2 1 0 0 0 -2