@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3559
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.4834     4.2434     3.3583	Br	1	noname	-0.0507
2	C1     4.2573     4.6364     2.0143	C.2	1	noname	-0.0249
3	C2     3.0583     3.9055     1.9153	C.2	1	noname	-0.0323
4	C3     4.5213     5.6705     1.0963	C.2	1	noname	-0.0569
5	C4     2.1252     4.1935     0.8954	C.2	1	noname	-0.0232
6	C5     3.5892     5.9735     0.0904	C.2	1	noname	-0.0547
7	N1     0.9412     3.5395     0.7754	N.3	1	noname	0.0080
8	C6     2.3942     5.2415    -0.0055	C.2	1	noname	-0.0551
9	C7     0.7411     2.1925     0.8334	C.2	1	noname	0.0537
10	N2     1.8061     1.3636     0.9935	N.2	1	noname	-0.2441
11	C8    -0.5558     1.6346     0.7165	C.2	1	noname	-0.0037
12	C9     1.6901     0.0196     1.0535	C.2	1	noname	0.0487
13	C10    -1.7459     2.3876     0.5495	C.2	1	noname	0.0652
14	C11    -0.6439     0.2196     0.7885	C.2	1	noname	0.0643
15	N3     0.4650    -0.5372     0.9516	N.2	1	noname	-0.2543
16	O1    -1.7079     3.7467     0.4866	O.3	1	noname	-0.2587
17	C12    -2.9919     1.7287     0.4376	C.2	1	noname	0.0422
18	C13    -1.8889    -0.4243     0.6966	C.2	1	noname	-0.0013
19	C14    -2.2110     4.5007     1.5916	C.3	1	noname	0.0424
20	O2    -4.1610     2.4047     0.2666	O.3	1	noname	-0.2656
21	C15    -3.0579     0.3297     0.5256	C.2	1	noname	0.0116
22	C16    -4.3610     3.1778    -0.9193	C.3	1	noname	0.0424
23	H1     2.8562     3.1645     2.5874	H	1	noname	0.0651
24	H2     5.3873     6.2096     1.1574	H	1	noname	0.0634
25	H3     3.7792     6.7276    -0.5705	H	1	noname	0.0623
26	H4     0.1671     4.0905     0.5895	H	1	noname	0.1357
27	H5     1.7201     5.4716    -0.7375	H	1	noname	0.0639
28	H6     2.5171    -0.5663     1.1746	H	1	noname	0.1062
29	H7    -1.9449    -1.4423     0.7526	H	1	noname	0.0646
30	H8    -2.0720     5.5617     1.3857	H	1	noname	0.0535
31	H9    -3.2750     4.3078     1.7387	H	1	noname	0.0535
32	H10    -1.6660     4.2448     2.5017	H	1	noname	0.0535
33	H11    -3.9600    -0.1422     0.4577	H	1	noname	0.0651
34	H12    -5.3690     3.5918    -0.9022	H	1	noname	0.0535
35	H13    -3.6470     3.9998    -0.9752	H	1	noname	0.0535
36	H14    -4.2550     2.5448    -1.8023	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	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	2
19	11	14	1
20	12	15	2
21	12	28	1
22	13	16	1
23	13	17	1
24	14	18	2
25	14	15	1
26	16	19	1
27	17	20	1
28	17	21	2
29	18	21	1
30	18	29	1
31	19	30	1
32	19	31	1
33	19	32	1
34	20	22	1
35	21	33	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1