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. 2014 Feb 13;57(6):2746–2754. doi: 10.1021/jm500059t

Figure 2.

Figure 2

Comparison of the neutral state of diastereomers 1 and 8 showing Newman projections looking down the C10–C9 bond (left) and the C9–C8 bond (center) with gauche interactions highlighted with red arrows. The lowest energy conformations found by quantum mechanics (B3LYP/6-31G*) and molecular mechanics (MMFFs force field, GB solvation) are shown in color.