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Table 4. Average Number of Hydrogen Bonds (N_HB(FeO)) Formed between the Ferryl Oxygen and Active Site Water Molecules during Each of the 5 ns MD Simulations.

Table 4. Average Number of Hydrogen Bonds (NHB(FeO)) Formed between the Ferryl Oxygen and Active Site Water Molecules during Each of the 5 ns MD Simulations.