@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3754
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.4088    -3.5246    -2.9072	Br	1	noname	-0.0507
2	C1     1.1857    -1.7087    -3.2491	C.2	1	noname	-0.0249
3	C2     0.6247    -0.8676    -2.2681	C.2	1	noname	-0.0323
4	C3     1.5717    -1.1697    -4.4900	C.2	1	noname	-0.0569
5	C4     0.4587     0.5122    -2.5160	C.2	1	noname	-0.0232
6	C5     1.3916     0.1982    -4.7499	C.2	1	noname	-0.0547
7	N1    -0.0972     1.3633    -1.6160	N.3	1	noname	0.0079
8	C6     0.8326     1.0333    -3.7679	C.2	1	noname	-0.0551
9	C7     0.1716     1.4203    -0.2860	C.2	1	noname	0.0486
10	N2     1.0795     0.5954     0.3079	N.2	1	noname	-0.2560
11	C8    -0.4753     2.3573     0.5379	C.2	1	noname	-0.0165
12	C9     1.3705     0.6414     1.6339	C.2	1	noname	0.0532
13	C10    -0.1654     2.3903     1.8958	C.2	1	noname	0.0952
14	C11    -1.4313     3.3443     0.3279	C.2	1	noname	-0.0193
15	N3     0.7445     1.5434     2.4309	N.2	1	noname	-0.2451
16	N4    -0.8874     3.3493     2.5089	N.3	1	noname	0.0028
17	C12    -1.6644     3.9403     1.5729	C.2	1	noname	-0.0784
18	C13    -2.1134     3.7714    -0.8248	C.2	1	noname	-0.0341
19	C14    -0.8125     3.6484     3.8988	C.3	1	noname	-0.0525
20	C15    -2.5933     4.9894     1.6960	C.2	1	noname	-0.0426
21	C16    -3.0444     4.8214    -0.7028	C.2	1	noname	-0.0530
22	C17    -3.2824     5.4264     0.5481	C.2	1	noname	-0.0508
23	H1     0.3307    -1.2586    -1.3711	H	1	noname	0.0651
24	H2     1.9796    -1.7676    -5.2099	H	1	noname	0.0634
25	H3     1.6665     0.5863    -5.6528	H	1	noname	0.0623
26	H4    -0.7103     2.0243    -1.9670	H	1	noname	0.1357
27	H5     0.7025     2.0263    -3.9678	H	1	noname	0.0639
28	H6     2.0584     0.0005     2.0299	H	1	noname	0.1062
29	H7    -1.9464     3.3384    -1.7328	H	1	noname	0.0629
30	H8    -1.4895     4.4574     4.1739	H	1	noname	0.0436
31	H9    -1.0765     2.7615     4.4769	H	1	noname	0.0436
32	H10     0.2063     3.9454     4.1519	H	1	noname	0.0436
33	H11    -2.7694     5.4294     2.5989	H	1	noname	0.0642
34	H12    -3.5504     5.1474    -1.5267	H	1	noname	0.0622
35	H13    -3.9584     6.1874     0.6221	H	1	noname	0.0623
@<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	2
19	11	14	1
20	12	15	2
21	12	28	1
22	13	16	1
23	13	15	1
24	14	17	2
25	14	18	1
26	16	19	1
27	16	17	1
28	17	20	1
29	18	21	2
30	18	29	1
31	19	30	1
32	19	31	1
33	19	32	1
34	20	22	2
35	20	33	1
36	21	22	1
37	21	34	1
38	22	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1