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Figure 3
Diagram showing the molecular shell, calculated using a radius of van der Waals + 0.5 Å, from the phenyl ring fragment of a molecule in AABHTZ (Werner, 1976BB57) (highlighted in yellow). The packing shell generated here highlights the aromatic interactions present in the structure. Full packing shells of molecules can be calculated by selecting a molecule (rather than a fragment) as the base unit.

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