@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3745
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.0258     1.2328     5.0258	Br	1	noname	-0.0507
2	C1     3.2768     0.8548     4.5139	C.2	1	noname	-0.0248
3	C2     2.6088     1.6948     3.6020	C.2	1	noname	-0.0321
4	C3     2.6138    -0.2700     5.0399	C.2	1	noname	-0.0568
5	C4     1.2858     1.4109     3.2011	C.2	1	noname	-0.0232
6	C5     1.2898    -0.5479     4.6590	C.2	1	noname	-0.0547
7	N1     0.5908     2.1989     2.3422	N.3	1	noname	0.0075
8	C6     0.6278     0.2930     3.7481	C.2	1	noname	-0.0550
9	C7     1.0517     2.7159     1.1743	C.2	1	noname	0.0425
10	N2     2.3136     2.4680     0.7224	N.2	1	noname	-0.2240
11	C8     0.2207     3.5239     0.3774	C.2	1	noname	0.0319
12	C9     2.7965     2.9670    -0.4454	C.2	1	noname	0.0263
13	N3    -1.0562     3.9530     0.5234	N.3	1	noname	-0.0265
14	C10     0.7486     4.0210    -0.8124	C.2	1	noname	0.0272
15	N4     2.0085     3.7521    -1.2203	N.2	1	noname	-0.2365
16	C11    -1.3552     4.7190    -0.5524	C.2	1	noname	-0.0662
17	C12    -1.9192     3.6490     1.6174	C.3	1	noname	-0.0602
18	C13    -0.2473     4.7800    -1.4023	C.2	1	noname	0.0003
19	C14    -2.5372     5.4030    -0.8924	C.2	1	noname	-0.0398
20	C15    -0.2683     5.5100    -2.6012	C.2	1	noname	-0.0279
21	C16    -2.5772     6.1420    -2.0923	C.2	1	noname	-0.0504
22	C17    -1.4513     6.1950    -2.9401	C.2	1	noname	-0.0518
23	H1     3.0827     2.5178     3.2291	H	1	noname	0.0651
24	H2     3.0848    -0.8879     5.7009	H	1	noname	0.0634
25	H3     0.8098    -1.3608     5.0440	H	1	noname	0.0623
26	H4    -0.3361     2.3719     2.5632	H	1	noname	0.1358
27	H5    -0.3341     0.0831     3.4801	H	1	noname	0.0639
28	H6     3.7494     2.7521    -0.7363	H	1	noname	0.1062
29	H7    -2.8952     4.1211     1.5034	H	1	noname	0.0436
30	H8    -2.0652     2.5701     1.6795	H	1	noname	0.0436
31	H9    -1.4723     4.0071     2.5464	H	1	noname	0.0436
32	H10    -3.3552     5.3691    -0.2843	H	1	noname	0.0642
33	H11     0.5505     5.5450    -3.2101	H	1	noname	0.0630
34	H12    -3.4292     6.6420    -2.3492	H	1	noname	0.0623
35	H13    -1.4933     6.7340    -3.8050	H	1	noname	0.0622
@<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	1
23	13	17	1
24	14	18	1
25	14	15	1
26	16	19	1
27	16	18	2
28	17	29	1
29	17	30	1
30	17	31	1
31	18	20	1
32	19	21	2
33	19	32	1
34	20	22	2
35	20	33	1
36	21	22	1
37	21	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1