@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3567
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.5970     6.4577     0.7946	Br	1	noname	-0.0508
2	C1     3.0339     5.4467     0.7566	C.2	1	noname	-0.0461
3	C2     2.8189     4.4387     1.7147	C.2	1	noname	-0.0370
4	C3     2.0579     5.6907    -0.2273	C.2	1	noname	-0.0370
5	C4     1.6378     3.6777     1.6847	C.2	1	noname	-0.0491
6	C5     0.8778     4.9277    -0.2553	C.2	1	noname	-0.0491
7	C6     0.6627     3.9078     0.6908	C.2	1	noname	-0.0284
8	N1    -0.5092     3.2248     0.6318	N.3	1	noname	0.0039
9	C7    -0.6743     1.8778     0.7578	C.2	1	noname	0.0373
10	N2     0.3946     1.0608     0.9479	N.2	1	noname	-0.2424
11	C8    -1.9644     1.3078     0.6759	C.2	1	noname	-0.0128
12	C9     0.2786    -0.2811     1.0669	C.2	1	noname	0.0406
13	C10    -2.0594    -0.1001     0.8029	C.2	1	noname	0.0462
14	C11    -3.1424     2.0609     0.4849	C.2	1	noname	0.0264
15	N3    -0.9464    -0.8470     0.9930	N.2	1	noname	-0.2521
16	C12    -3.3115    -0.7330     0.7290	C.2	1	noname	0.0378
17	C13    -4.3965     1.4279     0.4250	C.2	1	noname	0.0453
18	C14    -4.4796     0.0209     0.5260	C.2	1	noname	0.0600
19	O1    -5.4956     2.2130     0.2630	O.3	1	noname	-0.2654
20	O2    -5.6616    -0.6479     0.4460	O.3	1	noname	-0.2629
21	C15    -6.4866     2.2431     1.2941	C.3	1	noname	0.0424
22	C16    -6.4207    -0.5829    -0.7628	C.3	1	noname	0.0424
23	H1     3.5149     4.2538     2.4387	H	1	noname	0.0635
24	H2     2.1978     6.4228    -0.9263	H	1	noname	0.0635
25	H3     1.4877     2.9588     2.3928	H	1	noname	0.0639
26	H4     0.1757     5.1168    -0.9712	H	1	noname	0.0639
27	H5    -1.3023     3.7458     0.4358	H	1	noname	0.1357
28	H6     1.1065    -0.8590     1.2090	H	1	noname	0.1062
29	H7    -3.0995     3.0770     0.3990	H	1	noname	0.0659
30	H8    -3.3746    -1.7490     0.8140	H	1	noname	0.0674
31	H9    -7.2677     2.9471     1.0081	H	1	noname	0.0535
32	H10    -6.9357     1.2591     1.4331	H	1	noname	0.0535
33	H11    -6.0417     2.5741     2.2341	H	1	noname	0.0535
34	H12    -7.3068    -1.2088    -0.6538	H	1	noname	0.0535
35	H13    -6.7388     0.4391    -0.9708	H	1	noname	0.0535
36	H14    -5.8277    -0.9558    -1.5998	H	1	noname	0.0535
@<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	2
9	5	25	1
10	6	7	1
11	6	26	1
12	7	8	1
13	8	9	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	1
32	20	22	1
33	21	31	1
34	21	32	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1