Table 3. Mulliken Atomic Charges of (3).

atom	charge (a.u.)	atom	charge (a.u.)	atom	charge (a.u.)	atom	charge (a.u.)	atom	charge (a.u.)
C-1	0.06797	C-9	–0.1382	C-17	–0.1931	H-25	0.19833	H-33	0.17944
N-2	–0.0801	C-10	0.57487	C-18	–0.5012	H-26	0.17607	H-34	0.15437
C-3	–0.0486	C-11	–0.4091	C-19	1.12318	H-27	0.15731
C-4	–0.3512	C-12	–0.2252	C-20	–0.9195	H-28	0.17369
C-5	0.17173	C-13	–0.3161	C-21	0.13132	H-29	0.21071
N-6	0.09902	C-14	–0.299	S-22	–0.4902	H-30	0.17159
N-7	–0.0185	C-15	–0.0289	H-23	0.21136	H-31	0.15623
C-8	–0.331	N-16	–0.0465	H-24	0.19684	H-32	0.24217