@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3551
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.7505     4.7905    -0.9568	Br	1	noname	-0.0507
2	C1     4.3365     5.0065     0.2351	C.2	1	noname	-0.0249
3	C2     3.1965     4.1856     0.1372	C.2	1	noname	-0.0323
4	C3     4.4005     5.9955     1.2341	C.2	1	noname	-0.0570
5	C4     2.1245     4.3366     1.0432	C.2	1	noname	-0.0232
6	C5     3.3295     6.1635     2.1271	C.2	1	noname	-0.0547
7	N1     0.9906     3.5917     0.9822	N.3	1	noname	0.0085
8	C6     2.1945     5.3416     2.0271	C.2	1	noname	-0.0551
9	C7     0.9055     2.2468     0.7822	C.2	1	noname	0.0666
10	N2     2.0254     1.4909     0.6343	N.2	1	noname	-0.2306
11	C8    -0.3553     1.6129     0.7413	C.2	1	noname	-0.0051
12	C9     1.9844     0.1530     0.4414	C.2	1	noname	0.0708
13	C10    -0.3724     0.2170     0.5363	C.2	1	noname	0.0796
14	C11    -1.5803     2.2899     0.8893	C.2	1	noname	0.0618
15	N3     0.7864    -0.4688     0.3934	N.2	1	noname	-0.2402
16	C12    -1.5944    -0.4688     0.4774	C.2	1	noname	0.0392
17	C13    -2.8243     1.6159     0.8334	C.2	1	noname	0.0618
18	C14    -2.8313     0.2051     0.6204	C.2	1	noname	0.0781
19	N4    -3.9683     2.3700     0.9874	N.2	1	noname	-0.0077
20	N5    -4.0363    -0.4457     0.5605	N.3	1	noname	-0.1233
21	O1    -5.0782     1.9100     0.9535	O.2	1	noname	-0.1430
22	O2    -3.9323     3.5620     1.1684	O.3	1	noname	-0.1430
23	C15    -4.3284    -1.7576     0.3605	C.2	1	noname	0.1289
24	O3    -3.4775    -2.6565     0.1826	O.2	1	noname	-0.2771
25	C16    -5.7403    -2.1366     0.3486	C.3	1	noname	0.0098
26	H1     3.1415     3.4786    -0.5966	H	1	noname	0.0651
27	H2     5.2204     6.5995     1.3152	H	1	noname	0.0634
28	H3     3.3754     6.8835     2.8481	H	1	noname	0.0623
29	H4     0.1586     4.0637     1.1392	H	1	noname	0.1357
30	H5     1.4195     5.4756     2.6782	H	1	noname	0.0639
31	H6     2.8473    -0.3798     0.3334	H	1	noname	0.1062
32	H7    -1.5733     3.2999     1.0404	H	1	noname	0.0655
33	H8    -1.5624    -1.4737     0.3264	H	1	noname	0.0663
34	H9    -4.8203     0.1072     0.6755	H	1	noname	0.1371
35	H10    -5.8404    -3.2095     0.1796	H	1	noname	0.0324
36	H11    -6.1933    -1.8815     1.3066	H	1	noname	0.0324
37	H12    -6.2543    -1.5996    -0.4482	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	26	1
6	4	6	2
7	4	27	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	28	1
12	7	9	1
13	7	29	1
14	8	30	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	31	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	32	1
26	16	18	1
27	16	33	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	2
32	19	22	1
33	20	23	1
34	20	34	1
35	23	24	2
36	23	25	1
37	25	35	1
38	25	36	1
39	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1