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Figure 4
Dactive versus DMe-Me. Filled shapes represent +1° increments, while empty shapes represent −1° increments. AP1 (square), AP2 (circle), P3 (diamond) and P4 (triangle), Experimental (orange star). Heatmap represents the relative energy ΔE (kcal mol−1).

IUCrJ
Volume 10| Part 6| November 2023| Pages 694-699
ISSN: 2052-2525
https://doi.org/10.1107/S2052252523008060