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. 2023 Jul 13;145(29):16109–16117. doi: 10.1021/jacs.3c04538

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© 2023 The Authors. Published by American Chemical Society

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(A) Labeling scheme of lisinopril dihydrate. (B, C) Superposition of three-dimensional contour levels of the IIMs and SIMs of all protons in lisinopril, respectively. Contour levels are drawn at values of 0.2, 0.4, 0.6, and 0.8. (D) Three-dimensional contour levels of the difference of atomic density between the SIMs and IIMs of each proton in the molecule. Contour levels are drawn at values of 0.05, 0.1, 0.15, and 0.2. (E) Local environment around a lisinopril molecule in the crystal structure.