Table 1.

Binding energies values for the two most stable complexes of each ligand at different regions.

Ligand	Binding Energy (kcal/mol) of the complexes at different regions
	4 Å	6 Å	8 Å
NO2-OA	−23.7	−27.1	−25.7
	−23.2	−27.1	−25.3
OA	−22.6	−23.7	−22.4
	−22.0	−23.7	−22.3