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The optimized geometries of TSA (A), TSC (B), and PCB2 (C), and their van der Waals surface (electron density = 0.001 au). The balls in cyan, red, and white represent carbon, oxygen, and hydrogen atoms, respectively. The blue circles represent the interflavanic bonds, where bond lengths are labeled. The yellow circles represent the C-ring O1–C2 bond. The black arrows indicate the distances between the two A rings (TSA and TSC) or B rings (PCB2).
