@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3541
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.7733     4.6168    -1.0641	Br	1	noname	-0.0507
2	C1     4.3892     4.8288     0.1629	C.2	1	noname	-0.0249
3	C2     3.2002     4.0878     0.0229	C.2	1	noname	-0.0324
4	C3     4.5252     5.7359     1.2300	C.2	1	noname	-0.0570
5	C4     2.1481     4.2359     0.9540	C.2	1	noname	-0.0232
6	C5     3.4751     5.9019     2.1490	C.2	1	noname	-0.0547
7	N1     0.9700     3.5679     0.8550	N.3	1	noname	0.0056
8	C6     2.2911     5.1590     2.0081	C.2	1	noname	-0.0552
9	C7     0.7999     2.2479     0.5640	C.2	1	noname	0.0397
10	N2     1.8699     1.4399     0.3431	N.2	1	noname	-0.2550
11	C8    -0.4980     1.6949     0.5041	C.2	1	noname	-0.0305
12	C9     1.7469     0.1239     0.0591	C.2	1	noname	0.0448
13	C10    -0.6011     0.3129     0.2071	C.2	1	noname	0.0517
14	C11    -1.6771     2.4390     0.7241	C.2	1	noname	-0.0182
15	N3     0.5138    -0.4249    -0.0057	N.2	1	noname	-0.2645
16	C12    -1.8622    -0.3029     0.1331	C.2	1	noname	-0.0042
17	C13    -2.9332     1.8150     0.6492	C.2	1	noname	-0.0458
18	C14    -3.0362     0.4400     0.3542	C.2	1	noname	-0.0049
19	N4    -4.2223    -0.2128     0.2712	N.3	1	noname	-0.1418
20	C15    -5.4934     0.3901     0.4663	C.3	1	noname	-0.0029
21	C16    -6.5924    -0.6628     0.2933	C.3	1	noname	-0.0523
22	H1     3.0931     3.4409    -0.7589	H	1	noname	0.0651
23	H2     5.3811     6.2809     1.3420	H	1	noname	0.0634
24	H3     3.5721     6.5650     2.9191	H	1	noname	0.0623
25	H4     0.1700     4.0760     1.0581	H	1	noname	0.1357
26	H5     1.5340     5.2900     2.6791	H	1	noname	0.0639
27	H6     2.5759    -0.4479    -0.1027	H	1	noname	0.1062
28	H7    -1.6312     3.4351     0.9392	H	1	noname	0.0631
29	H8    -1.9232    -1.2989    -0.0817	H	1	noname	0.0662
30	H9    -3.7743     2.3701     0.8122	H	1	noname	0.0639
31	H10    -4.2023    -1.1608     0.0642	H	1	noname	0.1280
32	H11    -5.5594     0.8081     1.4723	H	1	noname	0.0429
33	H12    -5.6464     1.1841    -0.2676	H	1	noname	0.0429
34	H13    -7.5675    -0.1977     0.4413	H	1	noname	0.0243
35	H14    -6.5455    -1.0837    -0.7116	H	1	noname	0.0243
36	H15    -6.4605    -1.4588     1.0274	H	1	noname	0.0243
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	22	1
6	4	6	2
7	4	23	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	24	1
12	7	9	1
13	7	25	1
14	8	26	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	27	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	28	1
26	16	18	1
27	16	29	1
28	17	18	2
29	17	30	1
30	18	19	1
31	19	20	1
32	19	31	1
33	20	21	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1