@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3552
34 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.8449     6.9984     3.4074	Br	1	noname	-0.0507
2	C1     3.5928     5.8655     1.9524	C.2	1	noname	-0.0249
3	C2     2.3868     5.1525     1.8115	C.2	1	noname	-0.0323
4	C3     4.6058     5.7205     0.9855	C.2	1	noname	-0.0570
5	C4     2.1887     4.2865     0.7185	C.2	1	noname	-0.0232
6	C5     4.4108     4.8706    -0.1154	C.2	1	noname	-0.0547
7	N1     0.9907     3.6525     0.6226	N.3	1	noname	0.0084
8	C6     3.2057     4.1605    -0.2514	C.2	1	noname	-0.0552
9	C7     0.7806     2.3526     0.2766	C.2	1	noname	0.0648
10	N2     1.8246     1.5266     0.0026	N.2	1	noname	-0.2371
11	C8    -0.5333     1.8366     0.2116	C.2	1	noname	-0.0119
12	C9     1.6616     0.2286    -0.3362	C.2	1	noname	0.0692
13	C10    -0.6774     0.4766    -0.1462	C.2	1	noname	0.0796
14	C11    -1.6894     2.5977     0.4787	C.2	1	noname	0.0653
15	N3     0.4125    -0.2823    -0.4082	N.2	1	noname	-0.2463
16	C12    -1.9544    -0.0953    -0.2332	C.2	1	noname	0.0490
17	C13    -2.9854     2.0357     0.3947	C.2	1	noname	0.0708
18	C14    -3.1105     0.6697     0.0328	C.2	1	noname	0.0992
19	N4    -4.0785     2.8218     0.6638	N.2	1	noname	-0.0036
20	O1    -4.3625     0.1247    -0.0481	O.3	1	noname	-0.2578
21	O2    -5.2096     2.4188     0.6098	O.2	1	noname	-0.1420
22	O3    -3.9646     3.9819     0.9758	O.3	1	noname	-0.1420
23	C15    -4.6116    -1.2432    -0.3861	C.3	1	noname	0.0424
24	H1     1.6467     5.2585     2.5086	H	1	noname	0.0651
25	H2     5.4848     6.2326     1.0745	H	1	noname	0.0634
26	H3     5.1417     4.7726    -0.8194	H	1	noname	0.0623
27	H4     0.2106     4.1726     0.8656	H	1	noname	0.1357
28	H5     3.0696     3.5586    -1.0633	H	1	noname	0.0639
29	H6     2.4725    -0.3582    -0.5362	H	1	noname	0.1062
30	H7    -1.5944     3.5807     0.7377	H	1	noname	0.0656
31	H8    -2.0405    -1.0772    -0.4941	H	1	noname	0.0673
32	H9    -5.6877    -1.4172    -0.3760	H	1	noname	0.0535
33	H10    -4.2276    -1.4631    -1.3830	H	1	noname	0.0535
34	H11    -4.1416    -1.9042     0.3439	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	24	1
6	4	6	2
7	4	25	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	26	1
12	7	9	1
13	7	27	1
14	8	28	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	29	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	30	1
26	16	18	1
27	16	31	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	2
32	19	22	1
33	20	23	1
34	23	32	1
35	23	33	1
36	23	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1