Naturally, the number of possible molecular graphs increases substantially in higherorder clusters. To simplify our analysis, trimer and tetramer configurations are classified attending to the topology of the H-bonds among molecules. If no H-bond is present, they are categorized as either π-π or OH-π bonded clusters, depending on whether any monomers interact solely through OH π interactions or not. This results in five distinct interaction patterns for trimers and ten for tetramers, which are schematized in Figures and in the Supporting Information (SI) and listed in the first column of Table .