@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3700
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.7070     9.5741     3.5386	Br	1	noname	-0.0507
2	C1    -1.4080     7.9441     4.1046	C.2	1	noname	-0.0249
3	C2    -1.9301     7.0352     3.1647	C.2	1	noname	-0.0323
4	C3    -1.4141     7.6142     5.4726	C.2	1	noname	-0.0570
5	C4    -2.4721     5.8013     3.5857	C.2	1	noname	-0.0232
6	C5    -1.9361     6.3812     5.8967	C.2	1	noname	-0.0547
7	N1    -2.9632     4.8773     2.7207	N.3	1	noname	0.0078
8	C6    -2.4572     5.4773     4.9557	C.2	1	noname	-0.0552
9	C7    -3.7952     5.1074     1.6668	C.2	1	noname	0.0600
10	N2    -4.2392     6.3624     1.3899	N.2	1	noname	-0.2180
11	C8    -4.2233     4.0364     0.8519	C.2	1	noname	0.0184
12	C9    -5.0713     6.6355     0.3599	C.2	1	noname	0.0598
13	C10    -5.0943     4.3504    -0.2200	C.2	1	noname	0.0105
14	C11    -3.8273     2.6965     1.0519	C.2	1	noname	-0.0010
15	N3    -5.4913     5.6266    -0.4349	N.2	1	noname	-0.2370
16	C12    -5.5433     3.3165    -1.0569	C.2	1	noname	0.0390
17	C13    -4.3043     1.6995     0.1849	C.2	1	noname	0.0346
18	N4    -5.1384     2.0425    -0.8299	N.2	1	noname	-0.2508
19	N5    -3.9254     0.4186     0.3720	N.3	1	noname	-0.1065
20	C14    -4.3534    -0.6433    -0.4659	C.3	1	noname	0.0247
21	C15    -3.7745    -1.9712     0.0361	C.3	1	noname	0.0561
22	O1    -2.3535    -1.9131     0.0581	O.3	1	noname	-0.3949
23	H1    -1.9131     7.2653     2.1707	H	1	noname	0.0651
24	H2    -1.0381     8.2642     6.1647	H	1	noname	0.0634
25	H3    -1.9342     6.1403     6.8877	H	1	noname	0.0623
26	H4    -2.7292     3.9533     2.8998	H	1	noname	0.1357
27	H5    -2.8312     4.5824     5.2728	H	1	noname	0.0639
28	H6    -5.3793     7.5925     0.1859	H	1	noname	0.1062
29	H7    -3.2003     2.4445     1.8169	H	1	noname	0.0664
30	H8    -6.1724     3.5196    -1.8349	H	1	noname	0.0863
31	H9    -3.3244     0.2107     1.1040	H	1	noname	0.1297
32	H10    -5.4435    -0.7072    -0.4568	H	1	noname	0.0456
33	H11    -4.0135    -0.4672    -1.4878	H	1	noname	0.0456
34	H12    -4.1426    -2.1742     1.0431	H	1	noname	0.0576
35	H13    -4.0905    -2.7761    -0.6278	H	1	noname	0.0576
36	H14    -1.9196    -2.7371     0.3641	H	1	noname	0.2100
@<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	19	20	1
31	19	31	1
32	20	21	1
33	20	32	1
34	20	33	1
35	21	22	1
36	21	34	1
37	21	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1