Table 4.

The natural charges on atoms of cocsoline calculated under DFT/ B3LYP/6–31 +  + G(d,p)

Atom with number	Natural charge	Atom with number	Natural charge	Atom with number	Natural charge
O1	−0.61608	C25	0.11209	H49	0.17917
O2	−0.60443	C26	0.42277	H50	0.16055
O3	−0.56579	C27	−0.04182	H51	0.20232
O4	−0.56832	C28	−0.58562	H52	0.18214
O5	−0.74962	C29	0.31144	H53	0.18942
O6	−0.74207	C30	0.30742	H54	0.18801
O7	−0.73267	C31	0.31173	H55	0.19396
O8	−0.75343	C32	−0.33928	H56	0.22399
O9	−0.74592	C33	−0.26458	H57	0.20485
O10	−0.77376	C34	0.40427	H58	0.20846
O11	−0.75721	C35	0.45172	H59	0.46319
O12	−0.48107	C36	0.32245	H60	0.47688
O13	−0.66685	C37	0.19105	H61	0.47221
O14	−0.68832	C38	−0.13628	H62	0.47816
O15	−0.68158	C39	−0.13762	H63	0.47442
O16	−0.66728	C40	−0.14611	H64	0.49738
C17	0.07465	C41	−0.26048	H65	0.24829
C18	0.08538	C42	−0.28936	H66	0.4742
C19	0.07487	C43	0.33181	H67	0.50614
C20	0.09108	H44	0.20341	H68	0.23775
C21	0.08571	H45	0.16869	H69	0.24768
C22	0.0825	H46	0.179	H70	0.50011
C23	0.43941	H47	0.18083	H71	0.22267
C24	0.06096	H48	0.20121	H72	0.20166
				H73	0.47060