@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3604
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -3.2657     8.5771     6.3616	Br	1	noname	-0.0507
2	C1    -2.1587     7.4772     5.3447	C.2	1	noname	-0.0249
3	C2    -2.7178     6.5362     4.4598	C.2	1	noname	-0.0323
4	C3    -0.7608     7.5813     5.4628	C.2	1	noname	-0.0570
5	C4    -1.8868     5.7043     3.6789	C.2	1	noname	-0.0232
6	C5     0.0720     6.7433     4.7018	C.2	1	noname	-0.0547
7	N1    -2.3709     4.7614     2.8299	N.3	1	noname	0.0078
8	C6    -0.4889     5.8064     3.8189	C.2	1	noname	-0.0552
9	C7    -3.3899     4.9144     1.9380	C.2	1	noname	0.0600
10	N2    -4.0349     6.1044     1.8171	N.2	1	noname	-0.2180
11	C8    -3.7799     3.8375     1.1111	C.2	1	noname	0.0187
12	C9    -5.0439     6.3055     0.9401	C.2	1	noname	0.0598
13	C10    -4.8369     4.0775     0.2011	C.2	1	noname	0.0108
14	C11    -3.1760     2.5626     1.1501	C.2	1	noname	-0.0001
15	N3    -5.4360     5.2896     0.1402	N.2	1	noname	-0.2370
16	C12    -5.2569     3.0366    -0.6397	C.2	1	noname	0.0392
17	C13    -3.6260     1.5407     0.2862	C.2	1	noname	0.0356
18	N4    -4.6450     1.8297    -0.5667	N.2	1	noname	-0.2499
19	N5    -3.0820     0.2817     0.2722	N.3	1	noname	-0.1024
20	C14    -2.0131    -0.0911     1.1472	C.3	1	noname	-0.0073
21	C15    -3.5931    -0.6921    -0.6416	C.3	1	noname	-0.0073
22	H1    -3.7328     6.4493     4.3838	H	1	noname	0.0651
23	H2    -0.3419     8.2583     6.1018	H	1	noname	0.0634
24	H3     1.0859     6.8154     4.7918	H	1	noname	0.0623
25	H4    -1.9139     3.9075     2.8300	H	1	noname	0.1357
26	H5     0.1249     5.2004     3.2730	H	1	noname	0.0639
27	H6    -5.5040     7.2145     0.8822	H	1	noname	0.1062
28	H7    -2.4140     2.3786     1.8011	H	1	noname	0.0664
29	H8    -6.0169     3.1836    -1.3047	H	1	noname	0.0863
30	H9    -1.7141    -1.1281     0.9933	H	1	noname	0.0398
31	H10    -1.1451     0.5448     0.9623	H	1	noname	0.0398
32	H11    -2.3281     0.0218     2.1852	H	1	noname	0.0398
33	H12    -3.0711    -1.6450    -0.5466	H	1	noname	0.0398
34	H13    -4.6531    -0.8620    -0.4466	H	1	noname	0.0398
35	H14    -3.4721    -0.3360    -1.6656	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	16	29	1
28	17	19	1
29	17	18	2
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