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Figure 6
E(MPIE) analysis of the two archetypes present at once in the average structure of oestradiol. Adding up the individual contributions shows that the left hydrogen bond pattern is, with 55 kcal mol−1, less stabilizing than the other (right) 68 kcal mol−1.

IUCrJ
Volume 11| Part 3| May 2024| Pages 347-358
ISSN: 2052-2525
https://doi.org/10.1107/S2052252524002641