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Figure 2
Cluster water molecules inside the cavity, with hydrogen-bond contacts indicated as yellow dashed lines (distances are given in Å). Water molecules with single occupancy and a close to tetrahedral conformation are indicated in green, and those with alternate conformations in magenta. O atoms in other water molecules are indicated in red.

Volume 3| Part 2| March 2016| Pages 115-126
ISSN: 2052-2525