@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3943
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -2.0329    -2.3867     1.3255	Br	1	noname	-0.0455
2	C1    -1.5919    -0.5886     1.0955	C.2	1	noname	0.0586
3	C2    -2.4700     0.4483     1.4935	C.2	1	noname	0.0454
4	C3    -0.3630    -0.2396     0.5045	C.2	1	noname	0.0386
5	O1    -3.6691     0.1064     2.0606	O.3	1	noname	-0.2635
6	C4    -2.0941     1.7984     1.2846	C.2	1	noname	-0.0026
7	N1     0.6119    -1.0276     0.0306	N.2	1	noname	-0.2332
8	C5     0.0069     1.0904     0.3106	C.2	1	noname	-0.0473
9	C6    -4.6342     1.0685     2.4987	C.3	1	noname	0.0713
10	C7    -0.8631     2.1275     0.6906	C.2	1	noname	-0.0163
11	C8     1.5579    -0.1985    -0.4453	C.2	1	noname	-0.0332
12	N2     1.2199     1.1005    -0.2813	N.3	1	noname	-0.0180
13	C9    -5.7872     0.3645     2.9907	C.2	1	noname	-0.0778
14	C10     1.9859     2.1746    -0.6582	C.2	1	noname	-0.0235
15	C11    -6.2153     0.4895     4.2478	C.2	1	noname	-0.0886
16	C12     2.6738     2.1676    -1.8932	C.2	1	noname	-0.0547
17	C13     2.1258     3.3046     0.1788	C.2	1	noname	-0.0547
18	C14     3.4638     3.2617    -2.2871	C.2	1	noname	-0.0619
19	C15     2.9148     4.3997    -0.2110	C.2	1	noname	-0.0619
20	C16     3.5837     4.3798    -1.4461	C.2	1	noname	-0.0850
21	H1    -2.7231     2.5525     1.5606	H	1	noname	0.0651
22	H2    -4.2012     1.6985     3.2787	H	1	noname	0.0617
23	H3    -4.9442     1.6945     1.6597	H	1	noname	0.0617
24	H4    -0.6171     3.1046     0.5337	H	1	noname	0.0644
25	H5     2.4298    -0.5224    -0.8682	H	1	noname	0.1019
26	H6    -6.2803    -0.2334     2.3738	H	1	noname	0.0593
27	H7    -7.0144    -0.0123     4.5479	H	1	noname	0.0535
28	H8    -5.7414     1.0786     4.8869	H	1	noname	0.0535
29	H9     2.5928     1.3656    -2.5191	H	1	noname	0.0642
30	H10     1.6627     3.3297     1.0879	H	1	noname	0.0642
31	H11     3.9487     3.2447    -3.1851	H	1	noname	0.0623
32	H12     3.0057     5.2087     0.4049	H	1	noname	0.0623
33	H13     4.1567     5.1748    -1.7300	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	6	1
6	4	7	1
7	4	8	2
8	5	9	1
9	6	10	2
10	6	21	1
11	7	11	2
12	8	12	1
13	8	10	1
14	9	13	1
15	9	22	1
16	9	23	1
17	10	24	1
18	11	12	1
19	11	25	1
20	12	14	1
21	13	15	2
22	13	26	1
23	14	16	2
24	14	17	1
25	15	27	1
26	15	28	1
27	16	18	1
28	16	29	1
29	17	19	2
30	17	30	1
31	18	20	2
32	18	31	1
33	19	20	1
34	19	32	1
35	20	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1