@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3758
36 39 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.3139    -0.3516    -4.2257	Br	1	noname	-0.0507
2	C1     2.4888    -0.3865    -3.8587	C.2	1	noname	-0.0249
3	C2     1.9488     0.4654    -2.8756	C.2	1	noname	-0.0323
4	C3     1.6427    -1.2605    -4.5656	C.2	1	noname	-0.0569
5	C4     0.5667     0.4404    -2.5855	C.2	1	noname	-0.0232
6	C5     0.2647    -1.2784    -4.2935	C.2	1	noname	-0.0547
7	N1    -0.0172     1.2595    -1.6735	N.3	1	noname	0.0077
8	C6    -0.2692    -0.4284    -3.3115	C.2	1	noname	-0.0551
9	C7     0.4626     1.5856    -0.4454	C.2	1	noname	0.0452
10	N2     1.6366     1.0896     0.0385	N.2	1	noname	-0.2661
11	C8    -0.2573     2.4526     0.3925	C.2	1	noname	-0.0248
12	C9     2.1246     1.3997     1.2686	C.2	1	noname	0.0499
13	C10     0.2595     2.7577     1.6506	C.2	1	noname	0.0924
14	C11    -1.4593     3.1457     0.2796	C.2	1	noname	-0.0111
15	N3     1.4315     2.2388     2.0796	N.2	1	noname	-0.2559
16	N4    -0.5754     3.5957     2.2867	N.3	1	noname	-0.0029
17	C12    -1.6204     3.8447     1.4786	C.2	1	noname	-0.0839
18	C13    -2.4184     3.2357    -0.7432	C.2	1	noname	0.0048
19	C14    -2.7445     4.6548     1.6967	C.2	1	noname	-0.0305
20	C15    -3.5564     4.0458    -0.5442	C.2	1	noname	0.0119
21	C16    -3.7115     4.7498     0.6767	C.2	1	noname	-0.0111
22	O1    -4.4575     4.0989    -1.5681	O.3	1	noname	-0.2764
23	C17    -5.6545     4.8789    -1.5030	C.3	1	noname	0.0423
24	H1     2.5587     1.1125    -2.3736	H	1	noname	0.0651
25	H2     2.0207    -1.8824    -5.2815	H	1	noname	0.0634
26	H3    -0.3483    -1.9083    -4.8114	H	1	noname	0.0623
27	H4    -0.8882     1.6126    -1.9074	H	1	noname	0.1357
28	H5    -1.2733    -0.4473    -3.1235	H	1	noname	0.0639
29	H6     3.0105     1.0018     1.5817	H	1	noname	0.1062
30	H7    -0.4445     3.9588     3.1757	H	1	noname	0.1543
31	H8    -2.3014     2.7278    -1.6192	H	1	noname	0.0657
32	H9    -2.8595     5.1638     2.5737	H	1	noname	0.0643
33	H10    -4.5316     5.3369     0.8257	H	1	noname	0.0650
34	H11    -6.2036     4.7580    -2.4360	H	1	noname	0.0535
35	H12    -6.2826     4.5390    -0.6780	H	1	noname	0.0535
36	H13    -5.4126     5.9340    -1.3700	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	2
19	11	14	1
20	12	15	2
21	12	29	1
22	13	16	1
23	13	15	1
24	14	17	2
25	14	18	1
26	16	17	1
27	16	30	1
28	17	19	1
29	18	20	2
30	18	31	1
31	19	21	2
32	19	32	1
33	20	22	1
34	20	21	1
35	21	33	1
36	22	23	1
37	23	34	1
38	23	35	1
39	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1