C2-2.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.6474 0.0000 0.0000 C 0 0 0 0 0 0.6475 0.0000 0.0000 C 0 0 0 0 0 1 2 3 0 0 0 -2