BO-s.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.5113 0.0000 0.0000 O 0 0 0 0 0 0.7454 0.0000 0.0000 B 0 0 0 0 0 1 2 2 0 0 0 -1 M END