@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3613
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.1831     2.9116    -0.1762	Br	1	noname	-0.0507
2	C1     4.6941     3.7096     0.6077	C.2	1	noname	-0.0249
3	C2     3.4300     3.0977     0.5097	C.2	1	noname	-0.0323
4	C3     4.8270     4.9297     1.2958	C.2	1	noname	-0.0569
5	C4     2.2969     3.6907     1.1078	C.2	1	noname	-0.0232
6	C5     3.7010     5.5357     1.8768	C.2	1	noname	-0.0547
7	N1     1.0489     3.1608     1.0238	N.3	1	noname	0.0084
8	C6     2.4419     4.9208     1.7779	C.2	1	noname	-0.0551
9	C7     0.7048     1.8508     1.1719	C.2	1	noname	0.0589
10	N2     1.6408     0.9048     1.4479	N.2	1	noname	-0.2156
11	C8    -0.6441     1.4559     1.0559	C.2	1	noname	0.0027
12	C9     1.3357    -0.4030     1.6100	C.2	1	noname	0.0681
13	C10    -0.9362     0.0839     1.2290	C.2	1	noname	0.0527
14	C11    -1.7132     2.3299     0.7799	C.2	1	noname	-0.0113
15	N3     0.0497    -0.8010     1.4980	N.2	1	noname	-0.2082
16	N4    -2.2162    -0.3479     1.1270	N.2	1	noname	-0.2216
17	C12    -3.0252     1.8390     0.6850	C.2	1	noname	-0.0227
18	C13    -3.2763     0.4620     0.8640	C.2	1	noname	0.0383
19	N5    -4.5313    -0.0848     0.7851	N.3	1	noname	-0.1015
20	C14    -5.6884     0.7131     0.5151	C.3	1	noname	-0.0073
21	C15    -4.6964    -1.4918     0.9781	C.3	1	noname	-0.0073
22	H1     3.3289     2.2197    -0.0021	H	1	noname	0.0651
23	H2     5.7380     5.3857     1.3748	H	1	noname	0.0634
24	H3     3.7969     6.4238     2.3689	H	1	noname	0.0623
25	H4     0.3238     3.7888     0.8869	H	1	noname	0.1357
26	H5     1.6288     5.3708     2.1999	H	1	noname	0.0639
27	H6     2.0697    -1.0820     1.8150	H	1	noname	0.1062
28	H7    -1.5472     3.3290     0.6480	H	1	noname	0.0632
29	H8    -3.7873     2.4870     0.4860	H	1	noname	0.0656
30	H9    -6.5944     0.1061     0.4912	H	1	noname	0.0398
31	H10    -5.8065     1.4692     1.2932	H	1	noname	0.0398
32	H11    -5.5824     1.2042    -0.4528	H	1	noname	0.0398
33	H12    -5.7414    -1.7897     0.8891	H	1	noname	0.0398
34	H13    -4.1205    -2.0377     0.2281	H	1	noname	0.0398
35	H14    -4.3434    -1.7727     1.9712	H	1	noname	0.0398
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	22	1
6	4	6	2
7	4	23	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	24	1
12	7	9	1
13	7	25	1
14	8	26	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	27	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	28	1
26	16	18	1
27	17	18	2
28	17	29	1
29	18	19	1
30	19	20	1
31	19	21	1
32	20	30	1
33	20	31	1
34	20	32	1
35	21	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1