Table 5.

Values of de $\rho \left(r\right),{\nabla }^2\rho \left(r\right),$ zero-flux charge ($q$) and bind energies (IQA) from Gly-488(Spike)-Lys-353(ACE2) interaction site before and after the presence of the 1629 molecule nearby. All values are in $a.u.$

Critical Point			With 1629 molecule			Without 1629 molecule
	$\rho \left(r\right)$	${\nabla }^2\rho \left(r\right)$	$E_{bind}$	$q$	$\rho \left(r\right)$	${\nabla }^2\rho \left(r\right)$	$E_{bind}$	$q$
N10	190.2553	-	-54.2292	-1.1048	190.2424	-	-54.2275	-1.1027
O4	290.4189	-	-74.5915	-1.1971	290.5271	-	-74.6131	-1.1031
O4-N10	0.0219	0.0854	-	-	0.0225	0.0884	-	-
Critical Point	Δ %
	$\rho \left(r\right)$	${\nabla }^2\rho \left(r\right)$	$E_{bind}$	$q$
N10	0.0068	-	0.0031	0.1904
O4	-0.0372	-	-0.0289	8.5214
O4-N10	-2.6667	-3.3937	-	-