@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3630
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.2025     2.8193     4.3194	Br	1	noname	-0.0507
2	C1     4.0954     3.6354     3.0643	C.2	1	noname	-0.0249
3	C2     2.9653     2.9564     2.5704	C.2	1	noname	-0.0324
4	C3     4.3824     4.9365     2.6104	C.2	1	noname	-0.0570
5	C4     2.1242     3.5645     1.6123	C.2	1	noname	-0.0232
6	C5     3.5393     5.5545     1.6714	C.2	1	noname	-0.0547
7	N1     1.0071     2.9705     1.1174	N.3	1	noname	0.0062
8	C6     2.4132     4.8726     1.1804	C.2	1	noname	-0.0552
9	C7     0.8801     1.6755     0.7124	C.2	1	noname	0.0482
10	N2     1.9330     0.8205     0.7775	N.2	1	noname	-0.2298
11	C8    -0.3519     1.2086     0.2024	C.2	1	noname	-0.0021
12	C9     1.8560    -0.4704     0.3825	C.2	1	noname	0.0520
13	C10    -0.4080    -0.1544    -0.2065	C.2	1	noname	0.0557
14	C11    -1.5030     2.0246     0.0844	C.2	1	noname	-0.0008
15	N3     0.6879    -0.9434    -0.1044	N.2	1	noname	-0.2400
16	C12    -1.5981    -0.7033    -0.7265	C.2	1	noname	0.0082
17	C13    -2.6751     1.4566    -0.4384	C.2	1	noname	-0.0268
18	C14    -2.7292     0.1216    -0.8364	C.2	1	noname	-0.0651
19	C15    -3.9282     2.0027    -0.6684	C.2	1	noname	-0.0371
20	N4    -3.9683    -0.1472    -1.2934	N.3	1	noname	-0.0683
21	C16    -4.7073     0.9787    -1.1994	C.2	1	noname	-0.1077
22	C17    -4.4243    -1.4003    -1.7883	C.3	1	noname	-0.0691
23	H1     2.7472     2.0194     2.9104	H	1	noname	0.0651
24	H2     5.1984     5.4405     2.9604	H	1	noname	0.0634
25	H3     3.7442     6.5006     1.3474	H	1	noname	0.0623
26	H4     0.2350     3.5436     0.9944	H	1	noname	0.1357
27	H5     1.8061     5.3327     0.5004	H	1	noname	0.0639
28	H6     2.6710    -1.0794     0.4505	H	1	noname	0.1062
29	H7    -1.4921     3.0047     0.3695	H	1	noname	0.0637
30	H8    -1.6391    -1.6803    -1.0194	H	1	noname	0.0665
31	H9    -4.2233     2.9618    -0.4854	H	1	noname	0.0642
32	H10    -5.6853     1.0688    -1.4753	H	1	noname	0.0791
33	H11    -5.4704    -1.3412    -2.0953	H	1	noname	0.0436
34	H12    -3.8233    -1.6942    -2.6503	H	1	noname	0.0436
35	H13    -4.3293    -2.1583    -1.0103	H	1	noname	0.0436
@<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	19	1
29	17	18	2
30	18	20	1
31	19	21	2
32	19	31	1
33	20	22	1
34	20	21	1
35	21	32	1
36	22	33	1
37	22	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1