@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3592
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -4.0339     9.4008     6.0551	Br	1	noname	-0.0507
2	C1    -3.0629     8.2497     4.9601	C.2	1	noname	-0.0249
3	C2    -3.7259     7.2587     4.2121	C.2	1	noname	-0.0323
4	C3    -1.6628     8.3658     4.8781	C.2	1	noname	-0.0569
5	C4    -2.9999     6.3897     3.3691	C.2	1	noname	-0.0232
6	C5    -0.9318     7.4928     4.0561	C.2	1	noname	-0.0547
7	N1    -3.5840     5.3997     2.6451	N.3	1	noname	0.0087
8	C6    -1.5979     6.5067     3.3091	C.2	1	noname	-0.0551
9	C7    -4.7261     5.4947     1.9080	C.2	1	noname	0.0639
10	N2    -5.4062     6.6678     1.8181	N.2	1	noname	-0.2172
11	C8    -5.2162     4.3717     1.2090	C.2	1	noname	0.0305
12	C9    -6.5394     6.8039     1.0921	C.2	1	noname	0.0594
13	C10    -6.4023     4.5337     0.4550	C.2	1	noname	0.0362
14	C11    -4.6052     3.1026     1.2161	C.2	1	noname	0.0367
15	N3    -7.0244     5.7359     0.4191	N.2	1	noname	-0.2348
16	C12    -6.9444     3.4547    -0.2609	C.2	1	noname	0.0432
17	N4    -5.1603     2.0865     0.5111	N.2	1	noname	-0.2208
18	C13    -6.2974     2.2076    -0.2219	C.2	1	noname	0.0524
19	N5    -6.8385     1.1796    -0.9209	N.3	1	noname	-0.1127
20	C14    -6.3565    -0.0844    -0.9959	C.2	1	noname	0.1333
21	O1    -5.3195    -0.4604    -0.4038	O.2	1	noname	-0.2760
22	C15    -7.0876    -1.0554    -1.8089	C.3	1	noname	0.0099
23	H1    -4.7411     7.1627     4.2811	H	1	noname	0.0651
24	H2    -1.1688     9.0799     5.4162	H	1	noname	0.0634
25	H3     0.0831     7.5748     4.0012	H	1	noname	0.0623
26	H4    -3.1150     4.5516     2.6191	H	1	noname	0.1357
27	H5    -1.0569     5.8747     2.7171	H	1	noname	0.0639
28	H6    -7.0224     7.7020     1.0531	H	1	noname	0.1062
29	H7    -3.7482     2.9346     1.7442	H	1	noname	0.0848
30	H8    -7.8015     3.5767    -0.8029	H	1	noname	0.0679
31	H9    -7.6506     1.3647    -1.4169	H	1	noname	0.1386
32	H10    -6.5886    -2.0244    -1.7738	H	1	noname	0.0324
33	H11    -8.1027    -1.1624    -1.4248	H	1	noname	0.0324
34	H12    -7.1257    -0.7103    -2.8419	H	1	noname	0.0324
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	23	1
6	4	6	2
7	4	24	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	25	1
12	7	9	1
13	7	26	1
14	8	27	1
15	9	10	2
16	9	11	1
17	10	12	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	28	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	29	1
26	16	18	1
27	16	30	1
28	17	18	2
29	18	19	1
30	19	20	1
31	19	31	1
32	20	21	2
33	20	22	1
34	22	32	1
35	22	33	1
36	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1