@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3574
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.0987    -0.3510    -4.7465	Br	1	noname	-0.0507
2	C1     4.3207     0.9499    -3.6655	C.2	1	noname	-0.0249
3	C2     3.1327     0.6689    -2.9635	C.2	1	noname	-0.0323
4	C3     4.9197     2.2179    -3.5434	C.2	1	noname	-0.0570
5	C4     2.5297     1.6519    -2.1485	C.2	1	noname	-0.0232
6	C5     4.3357     3.1949    -2.7204	C.2	1	noname	-0.0547
7	N1     1.3997     1.4340    -1.4265	N.3	1	noname	0.0067
8	C6     3.1496     2.9100    -2.0224	C.2	1	noname	-0.0552
9	C7     0.2767     0.7800    -1.8364	C.2	1	noname	0.0519
10	N2     0.1896     0.2601    -3.0883	N.2	1	noname	-0.2285
11	C8    -0.8263     0.6491    -0.9634	C.2	1	noname	-0.0002
12	C9    -0.9063    -0.3888    -3.5403	C.2	1	noname	0.0553
13	C10    -1.9703    -0.0388    -1.4633	C.2	1	noname	0.0600
14	C11    -0.8403     1.1651     0.3555	C.2	1	noname	0.0279
15	N3    -1.9723    -0.5317    -2.7233	N.2	1	noname	-0.2386
16	C12    -3.1143    -0.2147    -0.6583	C.2	1	noname	0.0188
17	C13    -1.9883     0.9812     1.1395	C.2	1	noname	0.0170
18	C14    -3.0993     0.3072     0.6456	C.2	1	noname	-0.0335
19	N4    -2.2393     1.3732     2.3965	N.2	1	noname	-0.2312
20	N5    -4.0233     0.2953     1.6166	N.3	1	noname	-0.0325
21	C15    -3.4873     0.9443     2.6686	C.2	1	noname	-0.0420
22	C16    -5.3184    -0.2876     1.5516	C.3	1	noname	-0.0592
23	H1     2.7057    -0.2549    -3.0384	H	1	noname	0.0651
24	H2     5.7806     2.4360    -4.0464	H	1	noname	0.0634
25	H3     4.7736     4.1119    -2.6274	H	1	noname	0.0623
26	H4     1.3746     1.8290    -0.5415	H	1	noname	0.1357
27	H5     2.7366     3.6260    -1.4244	H	1	noname	0.0639
28	H6    -0.9283    -0.7667    -4.4872	H	1	noname	0.1062
29	H7    -0.0383     1.6641     0.7415	H	1	noname	0.0654
30	H8    -3.9343    -0.7066    -1.0123	H	1	noname	0.0666
31	H9    -3.9624     1.0943     3.5596	H	1	noname	0.1015
32	H10    -5.8594    -0.1395     2.4886	H	1	noname	0.0436
33	H11    -5.8874     0.1714     0.7417	H	1	noname	0.0436
34	H12    -5.2284    -1.3585     1.3627	H	1	noname	0.0436
@<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	1
29	17	18	2
30	18	20	1
31	19	21	2
32	20	22	1
33	20	21	1
34	21	31	1
35	22	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1