BO+.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -0.4955 0.0000 0.0000 O 0 0 0 0 0 0.7166 0.0000 0.0000 B 0 0 0 0 0 1 2 2 0 0 0 1 M END