Figure 7.

(a) Structures of the three compounds sertraline, YN3, and acitretin. For each compound, inter-atomic distance $r_{atom-pair}^{\left(s\right)}$ (s = sertraline, YN3, or acitretin) is defined between cyan- to orange-colored atoms. A cyan-colored atom, which is involved in a ring for each ligand, is not set on the ring rotation axis to detect the ring-rotational motions. (b) Distance distribution functions (DDFs), $P\left(r_{atom-pair}^{\left(s\right)}\right)$, for the three distances. See Supplementary Section 6 for procedure to calculate DDF.