@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3539
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.5481     4.7542    -1.4950	Br	1	noname	-0.0507
2	C1     4.3141     4.8933    -0.1079	C.2	1	noname	-0.0249
3	C2     3.1000     4.1823    -0.1658	C.2	1	noname	-0.0324
4	C3     4.5891     5.7134     1.0031	C.2	1	noname	-0.0570
5	C4     2.1629     4.2753     0.8861	C.2	1	noname	-0.0232
6	C5     3.6550     5.8214     2.0462	C.2	1	noname	-0.0547
7	N1     0.9659     3.6334     0.8632	N.3	1	noname	0.0060
8	C6     2.4449     5.1094     1.9842	C.2	1	noname	-0.0552
9	C7     0.7488     2.3314     0.5232	C.2	1	noname	0.0453
10	N2     1.7848     1.5204     0.1843	N.2	1	noname	-0.2336
11	C8    -0.5592     1.8014     0.5323	C.2	1	noname	-0.0069
12	C9     1.6178     0.2224    -0.1536	C.2	1	noname	0.0496
13	C10    -0.7092     0.4404     0.1723	C.2	1	noname	0.0536
14	C11    -1.7062     2.5484     0.8714	C.2	1	noname	-0.0121
15	N3     0.3727    -0.3034    -0.1575	N.2	1	noname	-0.2438
16	C12    -1.9853    -0.1495     0.1514	C.2	1	noname	0.0163
17	C13    -2.9783     1.9505     0.8464	C.2	1	noname	-0.0257
18	C14    -3.1354     0.5935     0.4844	C.2	1	noname	0.0030
19	N4    -4.3175    -0.0844     0.4185	N.3	1	noname	-0.1374
20	C15    -5.5766     0.3546     0.6725	C.2	1	noname	0.1272
21	O1    -5.8536     1.5206     1.0316	O.2	1	noname	-0.2773
22	C16    -6.6766    -0.5973     0.5136	C.3	1	noname	0.0098
23	H1     2.8919     3.5983    -0.9768	H	1	noname	0.0651
24	H2     5.4650     6.2354     1.0581	H	1	noname	0.0634
25	H3     3.8530     6.4194     2.8482	H	1	noname	0.0623
26	H4     0.1968     4.1444     1.1552	H	1	noname	0.1357
27	H5     1.7708     5.1965     2.7463	H	1	noname	0.0639
28	H6     2.4218    -0.3535    -0.4046	H	1	noname	0.1062
29	H7    -1.6283     3.5315     1.1354	H	1	noname	0.0631
30	H8    -2.0754    -1.1315    -0.1115	H	1	noname	0.0662
31	H9    -3.7834     2.5225     1.0954	H	1	noname	0.0639
32	H10    -4.2525    -1.0134     0.1495	H	1	noname	0.1370
33	H11    -7.6267    -0.1142     0.7466	H	1	noname	0.0324
34	H12    -6.7017    -0.9573    -0.5153	H	1	noname	0.0324
35	H13    -6.5297    -1.4413     1.1886	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	17	31	1
30	18	19	1
31	19	20	1
32	19	32	1
33	20	21	2
34	20	22	1
35	22	33	1
36	22	34	1
37	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1