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Direct volume rendering of the BSI molecule 2-(biphenyl-4-sulfonyl)-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid based on 241.760 molecular configurations in 192 metastable sets, comprising 12 chemically different groups that are distinguished by color. On the left the spatial alignment is based on a fixed substructure, on the right on Procrustes analysis.
