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Host–guest complex. Bold red bonds indicate the host torsion angles for which the entropy was computed. Thin green lines define one distance variable (dashed green, H to O), two angle variables (N–H–O, H–O–C), and three torsional variables (central bonds N–H, H–O, O–C), which together define the relative position and orientation of the two molecules in their bound state. Dashed lines indicate hydrogen bonds.
