@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3571
34 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.8950    -0.1756    -2.4606	Br	1	noname	-0.0507
2	C1     4.4859     1.0334    -2.5946	C.2	1	noname	-0.0249
3	C2     3.2968     0.8174    -1.8725	C.2	1	noname	-0.0323
4	C3     4.6059     2.1695    -3.4185	C.2	1	noname	-0.0570
5	C4     2.2287     1.7295    -1.9755	C.2	1	noname	-0.0232
6	C5     3.5428     3.0845    -3.5165	C.2	1	noname	-0.0547
7	N1     1.0927     1.5235    -1.2724	N.3	1	noname	0.0066
8	C6     2.3567     2.8656    -2.7944	C.2	1	noname	-0.0552
9	C7     0.0356     0.7965    -1.7254	C.2	1	noname	0.0506
10	N2     0.0736     0.2306    -2.9593	N.2	1	noname	-0.2274
11	C8    -1.1113     0.6196    -0.9203	C.2	1	noname	0.0009
12	C9    -0.9474    -0.5023    -3.4593	C.2	1	noname	0.0540
13	C10    -2.1724    -0.1573    -1.4703	C.2	1	noname	0.0588
14	C11    -1.2404     1.1667     0.3787	C.2	1	noname	0.0026
15	N3    -2.0564    -0.6872    -2.7103	N.2	1	noname	-0.2375
16	C12    -3.3535    -0.3873    -0.7352	C.2	1	noname	0.0394
17	C13    -2.4245     0.9207     1.0898	C.2	1	noname	-0.0613
18	C14    -3.4565     0.1627     0.5497	C.2	1	noname	0.0233
19	N4    -2.8125     1.2977     2.3108	N.3	1	noname	-0.0450
20	N5    -4.4556     0.0887     1.4428	N.2	1	noname	-0.2394
21	C15    -4.0406     0.7907     2.5169	C.2	1	noname	-0.0443
22	C16    -4.8166     0.9748     3.7420	C.3	1	noname	0.0415
23	H1     3.2018    -0.0034    -1.2725	H	1	noname	0.0651
24	H2     5.4619     2.3385    -3.9475	H	1	noname	0.0634
25	H3     3.6318     3.9076    -4.1135	H	1	noname	0.0623
26	H4     1.0316     1.9206    -0.3903	H	1	noname	0.1357
27	H5     1.5877     3.5326    -2.8694	H	1	noname	0.0639
28	H6    -0.8804    -0.9103    -4.3913	H	1	noname	0.1062
29	H7    -0.4984     1.7267     0.7998	H	1	noname	0.0651
30	H8    -4.1145    -0.9432    -1.1252	H	1	noname	0.0668
31	H9    -2.3015     1.8368     2.9349	H	1	noname	0.1540
32	H10    -5.7767     0.4668     3.6510	H	1	noname	0.0309
33	H11    -4.2666     0.5578     4.5860	H	1	noname	0.0309
34	H12    -4.9857     2.0389     3.9090	H	1	noname	0.0309
@<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	31	1
33	20	21	2
34	21	22	1
35	22	32	1
36	22	33	1
37	22	34	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1