Although it is rare for molecules to adopt their lowest energy conformer in CS structures, for over half of the unique molecules (59%, 16 out of 27 molecules in all structures) the crystalline geometry remains close to the global minimum (below 2.0 kJ/mol). In 23 out of 27 unique guest molecules, the conformational energy lies below 10 kJ/mol: molecules usually adopt low energy conformers in CS structures.