@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3585
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     7.2676     6.0242    -1.1497	Br	1	noname	-0.0507
2	C1     7.2286     5.0102     0.4103	C.2	1	noname	-0.0249
3	C2     6.1225     4.1852     0.6904	C.2	1	noname	-0.0324
4	C3     8.3026     5.0682     1.3184	C.2	1	noname	-0.0570
5	C4     6.0884     3.4052     1.8664	C.2	1	noname	-0.0232
6	C5     8.2665     4.3093     2.4995	C.2	1	noname	-0.0547
7	N1     5.0363     2.6112     2.1955	N.3	1	noname	0.0062
8	C6     7.1614     3.4853     2.7735	C.2	1	noname	-0.0552
9	C7     4.3682     1.7592     1.3685	C.2	1	noname	0.0472
10	N2     4.7412     1.6172     0.0695	N.2	1	noname	-0.2317
11	C8     3.2841     0.9952     1.8555	C.2	1	noname	-0.0047
12	C9     4.1151     0.7782    -0.7854	C.2	1	noname	0.0511
13	C10     2.6441     0.1233     0.9406	C.2	1	noname	0.0543
14	C11     2.8181     1.0623     3.1867	C.2	1	noname	-0.0070
15	N3     3.0730     0.0413    -0.3414	N.2	1	noname	-0.2422
16	C12     1.5580    -0.6667     1.3526	C.2	1	noname	0.0051
17	C13     1.7300     0.2693     3.6067	C.2	1	noname	-0.0322
18	C14     1.0949    -0.6026     2.6807	C.2	1	noname	-0.0197
19	C15     1.2639     0.3323     4.9358	C.2	1	noname	-0.0468
20	C16     0.0068    -1.3956     3.1038	C.2	1	noname	-0.0436
21	C17     0.1808    -0.4626     5.3449	C.2	1	noname	-0.0569
22	C18    -0.4462    -1.3246     4.4309	C.2	1	noname	-0.0566
23	H1     5.3354     4.1522     0.0404	H	1	noname	0.0651
24	H2     9.1106     5.6643     1.1294	H	1	noname	0.0634
25	H3     9.0425     4.3573     3.1606	H	1	noname	0.0623
26	H4     4.7623     2.6233     3.1256	H	1	noname	0.1357
27	H5     7.1444     2.9393     3.6366	H	1	noname	0.0639
28	H6     4.4251     0.7023    -1.7544	H	1	noname	0.1062
29	H7     3.2710     1.6884     3.8557	H	1	noname	0.0637
30	H8     1.1079    -1.2896     0.6786	H	1	noname	0.0652
31	H9     1.7099     0.9544     5.6129	H	1	noname	0.0629
32	H10    -0.4592    -2.0276     2.4498	H	1	noname	0.0629
33	H11    -0.1511    -0.4136     6.3090	H	1	noname	0.0622
34	H12    -1.2333    -1.9006     4.7320	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	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	2
29	17	18	1
30	18	20	2
31	19	21	1
32	19	31	1
33	20	22	1
34	20	32	1
35	21	22	2
36	21	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1