@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3572
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.1868     0.0000    -4.1303	Br	1	noname	-0.0507
2	C1     4.1028     1.2980    -3.3513	C.2	1	noname	-0.0249
3	C2     2.9307     0.9230    -2.6672	C.2	1	noname	-0.0323
4	C3     4.4547     2.6581    -3.4382	C.2	1	noname	-0.0570
5	C4     2.0966     1.9011    -2.0821	C.2	1	noname	-0.0232
6	C5     3.6407     3.6341    -2.8412	C.2	1	noname	-0.0547
7	N1     0.9676     1.5961    -1.3901	N.3	1	noname	0.0066
8	C6     2.4696     3.2562    -2.1621	C.2	1	noname	-0.0552
9	C7     0.0085     0.6962    -1.7460	C.2	1	noname	0.0508
10	N2     0.1095    -0.0067    -2.9040	N.2	1	noname	-0.2274
11	C8    -1.1174     0.4922    -0.9180	C.2	1	noname	0.0009
12	C9    -0.8195    -0.9037    -3.3020	C.2	1	noname	0.0542
13	C10    -2.0825    -0.4587    -1.3579	C.2	1	noname	0.0590
14	C11    -1.3185     1.1803     0.3030	C.2	1	noname	0.0068
15	N3    -1.9036    -1.1207    -2.5249	N.2	1	noname	-0.2374
16	C12    -3.2346    -0.7256    -0.5909	C.2	1	noname	0.0400
17	C13    -2.4736     0.8993     1.0520	C.2	1	noname	-0.0467
18	C14    -3.4096    -0.0316     0.6141	C.2	1	noname	0.0290
19	N4    -2.9136     1.3884     2.2201	N.3	1	noname	-0.0349
20	N5    -4.4037    -0.1045     1.5102	N.2	1	noname	-0.2280
21	C15    -4.0827     0.7704     2.4832	C.2	1	noname	-0.0419
22	C16    -2.2736     2.3684     3.0271	C.3	1	noname	-0.0594
23	H1     2.6817    -0.0638    -2.5882	H	1	noname	0.0651
24	H2     5.3017     2.9441    -3.9312	H	1	noname	0.0634
25	H3     3.8996     4.6202    -2.9001	H	1	noname	0.0623
26	H4     0.8095     2.1052    -0.5810	H	1	noname	0.1357
27	H5     1.8876     3.9732    -1.7280	H	1	noname	0.0639
28	H6    -0.7045    -1.4117    -4.1789	H	1	noname	0.1062
29	H7    -0.6455     1.8673     0.6450	H	1	noname	0.0651
30	H8    -3.9276    -1.4066    -0.9028	H	1	noname	0.0668
31	H9    -4.6527     0.9404     3.3122	H	1	noname	0.1015
32	H10    -2.8577     2.5745     3.9252	H	1	noname	0.0436
33	H11    -1.2867     2.0105     3.3252	H	1	noname	0.0436
34	H12    -2.1627     3.2935     2.4612	H	1	noname	0.0436
@<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	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	19	22	1
33	20	21	2
34	21	31	1
35	22	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1