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. 2020 Dec 11;25(24):5853. doi: 10.3390/molecules25245853

Table 1.

Running coordination number (RCN) of the studied Oxygen sites of the different flavonoids as obtained from MDnoVS and MDVS (in parentheses). See Figure 2 for atom labeling.

Site L K Q M
O1 1.1 (1.5) 1.4 (1.6) 1.0 (1.6) 1.2 (1.5)
O2 1.3 (1.9) 1.6 (1.7) 1.2 (1.8) 1.0 (1.6)
O3 1.8 (1.6) 1.4 (1.1) 1.4 (1.2) 1.3 (1.2)
O4 – (–) 1.1 (1.3) 1.1 (1.4) 0.8 (1.1)
O5 1.0 (1.4) – (–) – (–) 0.9 (1.2)
O6 0.9 (1.3) 1.3 (1.7) 0.9 (1.0) 0.2 (0.5)
O7 – (–) – (–) 1.0 (1.4) 1.1 (1.3)