Table 5.

Atomic charge of the ligand.

Charges	Atoms	Charges	Atoms	Charges	Atoms	Charges	Atoms
N −0.431	[N(1)]	N 0.081	[N(6)]	H 0.068	[H(11)]	H 0.040	[H(16)]
N 0.263	[N(2)]	C 0.222	[C(7)]	H 0.101	[H(12)]	H 0.031	[H(17)]
C 0.233	[C(3)]	C −0.122	[C(8)]	H 0.104	[H(13)]	H 0.028	[H(18)]
S −0.696	[S(4)]	C −0.066	[C(9)]	H 0.091	[H(14)]	H 0.011	[H(19)]
N −0.049	[N(5)]	C 0.036	[C(10)]	H 0.038	[H(15)]	H 0.018	[H(20)]