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Figure 10
Movement of water molecule Wat2 (a) and of the DO4 atom in the lactose molecule (b) in order to form more favourable hydrogen bonds after QM refinement of the deposited structure with wX = wN = 7. The nuclear 2m|Fo| − D|Fc| density at 1.0σ is shown in blue.

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ISSN: 2059-7983
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