AlHs.mol -ISIS- 3D 2 1 0 0 0 0 0 0 0 0 0 -1.6173 0.0000 0.0000 H 0 0 0 0 0 0.0739 0.0000 0.0000 Al 0 0 0 0 0 1 2 1 0 0 0 M END