@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3757
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.6683    -3.4265    -3.1626	Br	1	noname	-0.0507
2	C1     1.3162    -1.6285    -3.4905	C.2	1	noname	-0.0249
3	C2     0.7562    -0.8225    -2.4816	C.2	1	noname	-0.0322
4	C3     1.6042    -1.0695    -4.7494	C.2	1	noname	-0.0569
5	C4     0.4961     0.5454    -2.7165	C.2	1	noname	-0.0232
6	C5     1.3281     0.2854    -4.9974	C.2	1	noname	-0.0547
7	N1    -0.0578     1.3694    -1.7895	N.3	1	noname	0.0081
8	C6     0.7731     1.0864    -3.9864	C.2	1	noname	-0.0551
9	C7     0.2361     1.4155    -0.4645	C.2	1	noname	0.0404
10	N2     1.1649     0.6006     0.1074	N.2	1	noname	-0.2762
11	C8    -0.4109     2.3365     0.3774	C.2	1	noname	-0.0588
12	C9     1.4739     0.6406     1.4304	C.2	1	noname	0.0781
13	C10    -0.0749     2.3615     1.7294	C.2	1	noname	0.0891
14	C11    -1.3848     3.3125     0.1905	C.2	1	noname	-0.0277
15	N3     0.8519     1.5256     2.2474	N.2	1	noname	-0.2664
16	N4     2.3918    -0.1942     1.9244	N.3	1	noname	-0.0787
17	N5    -0.8010     3.3056     2.3524	N.3	1	noname	0.0026
18	C12    -1.5989     3.8935     1.4445	C.2	1	noname	-0.0813
19	C13    -2.1008     3.7455    -0.9393	C.2	1	noname	-0.0349
20	C14    -2.5329     4.9275     1.6135	C.2	1	noname	-0.0434
21	C15    -3.0408     4.7835    -0.7782	C.2	1	noname	-0.0531
22	C16    -3.2559     5.3695     0.4876	C.2	1	noname	-0.0510
23	H1     0.5321    -1.2294    -1.5725	H	1	noname	0.0651
24	H2     2.0091    -1.6424    -5.4913	H	1	noname	0.0634
25	H3     1.5321     0.6874    -5.9122	H	1	noname	0.0623
26	H4    -0.6908     2.0245    -2.1184	H	1	noname	0.1357
27	H5     0.5750     2.0694    -4.1773	H	1	noname	0.0639
28	H6     2.6127    -0.1661     2.8674	H	1	noname	0.1273
29	H7     2.8337    -0.8261     1.3386	H	1	noname	0.1273
30	H8    -0.7560     3.5226     3.2954	H	1	noname	0.1543
31	H9    -1.9509     3.3266    -1.8562	H	1	noname	0.0629
32	H10    -2.6849     5.3495     2.5295	H	1	noname	0.0642
33	H11    -3.5719     5.1135    -1.5852	H	1	noname	0.0622
34	H12    -3.9399     6.1195     0.5877	H	1	noname	0.0623
@<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	2
19	11	14	1
20	12	15	2
21	12	16	1
22	13	17	1
23	13	15	1
24	14	18	2
25	14	19	1
26	16	28	1
27	16	29	1
28	17	18	1
29	17	30	1
30	18	20	1
31	19	21	2
32	19	31	1
33	20	22	2
34	20	32	1
35	21	22	1
36	21	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1