B2s.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.8237 0.0000 0.0000 B 0 0 0 0 0 0.8238 0.0000 0.0000 B 0 0 0 0 0 1 2 2 0 0 0