@<TRIPOS>MOLECULE
76964745
39 41 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	S1     0.1646     1.2405     4.7844	S.3	1	noname	-0.0800
2	O1     2.7092    -5.8494    -1.7813	O.2	1	noname	-0.2752
3	N1     0.3921     0.3064     2.5099	N.3	1	noname	-0.1015
4	N2     2.1727    -0.2614     3.6131	N.2	1	noname	-0.2411
5	N3     2.8847    -5.3144     0.3844	N.3	1	noname	-0.1389
6	C1     2.3324    -0.9418     2.4158	C.3	1	noname	0.0905
7	C2     1.0798    -0.5084     1.5831	C.3	1	noname	0.0318
8	C3    -0.8685     1.0019     2.3879	C.3	1	noname	0.0146
9	C4     1.0654     0.3524     3.6079	C.2	1	noname	-0.0403
10	C5     2.4703    -2.4187     2.6519	C.2	1	noname	-0.0360
11	C6    -1.2876     1.6869     3.7267	C.3	1	noname	0.0137
12	C7     2.8222    -3.2179     1.5524	C.2	1	noname	-0.0246
13	C8     2.3035    -3.0865     3.9000	C.2	1	noname	-0.0502
14	C9     2.7755    -4.6218     1.5638	C.2	1	noname	-0.0189
15	C10     2.4160    -4.4818     4.0043	C.2	1	noname	-0.0509
16	C11     2.6311    -5.2409     2.8386	C.2	1	noname	-0.0357
17	C12     1.6209    -3.8625    -1.2968	C.3	1	noname	0.0274
18	C13     2.4553    -5.0049    -0.8856	C.2	1	noname	0.1301
19	C14     2.3433    -2.6557    -1.9507	C.3	1	noname	-0.0544
20	C15     0.5059    -4.3524    -2.2229	C.3	1	noname	-0.0544
21	H1     3.2204    -0.5767     1.8910	H	1	noname	0.0616
22	H2     0.4756    -1.3857     1.3522	H	1	noname	0.0461
23	H3     1.3543     0.0779     0.7061	H	1	noname	0.0461
24	H4    -1.6431     0.2990     2.0814	H	1	noname	0.0444
25	H5    -0.8070     1.7631     1.6102	H	1	noname	0.0444
26	H6    -2.1835     1.2041     4.1170	H	1	noname	0.0398
27	H7    -1.3503     2.7677     3.5998	H	1	noname	0.0398
28	H8     3.1313    -2.7547     0.6997	H	1	noname	0.0643
29	H9     2.1169    -2.5626     4.7558	H	1	noname	0.0626
30	H10     2.3663    -4.9288     4.9057	H	1	noname	0.0623
31	H11     2.6988    -6.2483     2.9401	H	1	noname	0.0639
32	H12     1.2012    -3.4401    -0.3838	H	1	noname	0.0391
33	H13     3.3085    -6.1724     0.4686	H	1	noname	0.1371
34	H14     1.6119    -1.8880    -2.2036	H	1	noname	0.0238
35	H15    -0.1114    -3.5071    -2.5271	H	1	noname	0.0238
36	H16    -0.1100    -5.0812    -1.6960	H	1	noname	0.0238
37	H17     0.9449    -4.8179    -3.1053	H	1	noname	0.0238
38	H18     2.8528    -2.9845    -2.8565	H	1	noname	0.0238
39	H19     3.0726    -2.2465    -1.2517	H	1	noname	0.0238
@<TRIPOS>BOND
1	1	9	1
2	1	11	1
3	2	18	2
4	3	7	1
5	3	8	1
6	3	9	1
7	4	6	1
8	4	9	2
9	5	14	1
10	5	18	1
11	5	33	1
12	6	7	1
13	6	10	1
14	6	21	1
15	7	22	1
16	7	23	1
17	8	11	1
18	8	24	1
19	8	25	1
20	10	12	2
21	10	13	1
22	11	26	1
23	11	27	1
24	12	14	1
25	12	28	1
26	13	15	2
27	13	29	1
28	14	16	2
29	15	16	1
30	15	30	1
31	16	31	1
32	17	18	1
33	17	19	1
34	17	20	1
35	17	32	1
36	19	34	1
37	19	38	1
38	19	39	1
39	20	35	1
40	20	36	1
41	20	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1