@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50448044
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    13.2790    -6.0047     5.1201	Br	1	noname	-0.0507
2	C1    12.3590    -5.0096     3.8451	C.2	1	noname	-0.0086
3	C2    11.5259    -5.6646     2.9122	C.2	1	noname	-0.0058
4	C3    12.4959    -3.6016     3.8142	C.2	1	noname	-0.0174
5	C4    10.8459    -4.8846     1.9612	C.2	1	noname	-0.0423
6	C5    11.8059    -2.8346     2.8533	C.2	1	noname	-0.0018
7	N1    10.0069    -5.2065     0.9673	N.3	1	noname	-0.0071
8	C6    10.9818    -3.4965     1.9313	C.2	1	noname	0.0142
9	C7     9.6478    -4.0575     0.3594	C.2	1	noname	-0.0041
10	C8     9.5418    -6.4095     0.5573	C.2	1	noname	-0.0325
11	N2    10.2358    -2.9915     0.9353	N.2	1	noname	-0.2178
12	C9     8.7698    -4.0614    -0.7305	C.2	1	noname	0.0304
13	N3     8.6918    -6.4284    -0.4985	N.2	1	noname	-0.2427
14	C10     8.2758    -5.3134    -1.1694	C.2	1	noname	0.0386
15	C11     7.3777    -5.4664    -2.2703	C.2	1	noname	-0.0413
16	C12     6.7637    -4.3663    -2.9193	C.2	1	noname	-0.0223
17	C13     7.0657    -6.7603    -2.7533	C.2	1	noname	-0.0223
18	C14     5.8867    -4.5523    -4.0012	C.2	1	noname	-0.0221
19	C15     6.1897    -6.9473    -3.8352	C.2	1	noname	-0.0221
20	C16     5.5926    -5.8472    -4.4702	C.2	1	noname	0.0105
21	O1     4.7526    -6.1092    -5.5151	O.3	1	noname	-0.2763
22	C17     4.0666    -5.0762    -6.2271	C.3	1	noname	0.0423
23	H1    11.4159    -6.6795     2.9212	H	1	noname	0.0655
24	H2    13.0989    -3.1286     4.4882	H	1	noname	0.0635
25	H3    11.9038    -1.8186     2.8283	H	1	noname	0.0646
26	H4     9.8178    -7.2764     1.0204	H	1	noname	0.1019
27	H5     8.5157    -3.1824    -1.1804	H	1	noname	0.0682
28	H6     6.9416    -3.4113    -2.6112	H	1	noname	0.0630
29	H7     7.4797    -7.5882    -2.3212	H	1	noname	0.0630
30	H8     5.4626    -3.7373    -4.4452	H	1	noname	0.0650
31	H9     5.9866    -7.8932    -4.1621	H	1	noname	0.0650
32	H10     3.4585    -5.5321    -7.0090	H	1	noname	0.0535
33	H11     3.4125    -4.5221    -5.5520	H	1	noname	0.0535
34	H12     4.7815    -4.3951    -6.6890	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	10	1
14	8	11	1
15	9	12	1
16	9	11	2
17	10	13	2
18	10	26	1
19	12	14	2
20	12	27	1
21	13	14	1
22	14	15	1
23	15	16	2
24	15	17	1
25	16	18	1
26	16	28	1
27	17	19	2
28	17	29	1
29	18	20	2
30	18	30	1
31	19	20	1
32	19	31	1
33	20	21	1
34	21	22	1
35	22	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1