@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445939
37 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     8.1597    -5.1954     0.5366	Br	1	noname	-0.0435
2	C1     9.2427    -5.7294    -0.8934	C.2	1	noname	0.1053
3	C2    10.6557    -5.6994    -0.7643	C.2	1	noname	0.1481
4	C3     8.6857    -6.1684    -2.1083	C.2	1	noname	-0.0216
5	O1    11.1967    -5.3143     0.2997	O.2	1	noname	-0.2571
6	N1    11.4157    -6.1043    -1.8423	N.3	1	noname	-0.0823
7	N2     7.3356    -6.2084    -2.2743	N.3	1	noname	-0.1359
8	C4     9.5707    -6.5624    -3.1404	C.2	1	noname	0.0428
9	N3    10.8686    -6.5023    -2.9363	N.2	1	noname	-0.1918
10	C5    12.7717    -6.1013    -1.8052	C.2	1	noname	-0.0078
11	C6     6.6665    -6.6403    -3.4523	C.3	1	noname	0.0265
12	C7    13.4727    -7.2363    -1.3502	C.2	1	noname	-0.0186
13	C8    13.4897    -4.9642    -2.2262	C.2	1	noname	-0.0186
14	C9     5.1474    -6.5453    -3.2493	C.3	1	noname	0.0705
15	C10    14.8778    -7.2323    -1.3141	C.2	1	noname	-0.0491
16	C11    14.8947    -4.9611    -2.1902	C.2	1	noname	-0.0491
17	O2     4.4473    -7.0493    -4.3783	O.3	1	noname	-0.3767
18	C12     4.6414    -7.4303    -2.1062	C.3	1	noname	-0.0233
19	C13    15.5887    -6.0951    -1.7341	C.2	1	noname	-0.0513
20	C14     3.1202    -7.3942    -3.9982	C.3	1	noname	0.0472
21	C15     3.1942    -7.7373    -2.5041	C.3	1	noname	-0.0271
22	H1     6.7805    -5.9243    -1.5312	H	1	noname	0.1283
23	H2     9.2176    -6.8903    -4.0394	H	1	noname	0.0870
24	H3     6.9315    -7.6753    -3.6753	H	1	noname	0.0458
25	H4     6.9465    -6.0063    -4.2943	H	1	noname	0.0458
26	H5    12.9597    -8.0643    -1.0441	H	1	noname	0.0640
27	H6    12.9906    -4.1391    -2.5582	H	1	noname	0.0640
28	H7     4.8534    -5.5092    -3.0722	H	1	noname	0.0616
29	H8    15.3817    -8.0563    -0.9820	H	1	noname	0.0623
30	H9    15.4117    -4.1360    -2.4951	H	1	noname	0.0623
31	H10     4.6923    -6.9112    -1.1491	H	1	noname	0.0294
32	H11     5.2143    -8.3573    -2.0661	H	1	noname	0.0294
33	H12    16.6087    -6.0931    -1.7071	H	1	noname	0.0622
34	H13     2.4602    -6.5402    -4.1511	H	1	noname	0.0566
35	H14     2.7682    -8.2472    -4.5802	H	1	noname	0.0566
36	H15     2.9652    -8.7893    -2.3331	H	1	noname	0.0291
37	H16     2.5051    -7.1052    -1.9421	H	1	noname	0.0291
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	22	1
12	8	9	2
13	8	23	1
14	10	12	2
15	10	13	1
16	11	14	1
17	11	24	1
18	11	25	1
19	12	15	1
20	12	26	1
21	13	16	2
22	13	27	1
23	14	17	1
24	14	18	1
25	14	28	1
26	15	19	2
27	15	29	1
28	16	19	1
29	16	30	1
30	17	20	1
31	18	21	1
32	18	31	1
33	18	32	1
34	19	33	1
35	20	21	1
36	20	34	1
37	20	35	1
38	21	36	1
39	21	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1