@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3628
37 40 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.1168     7.6062     2.3562	Br	1	noname	-0.0507
2	C1     5.4957     6.7983     0.7982	C.2	1	noname	-0.0249
3	C2     4.3266     6.0133     0.8273	C.2	1	noname	-0.0324
4	C3     6.1927     6.9693    -0.4126	C.2	1	noname	-0.0570
5	C4     3.8576     5.3974    -0.3486	C.2	1	noname	-0.0232
6	C5     5.7216     6.3604    -1.5886	C.2	1	noname	-0.0547
7	N1     2.7306     4.6525    -0.3215	N.3	1	noname	0.0063
8	C6     4.5545     5.5785    -1.5575	C.2	1	noname	-0.0552
9	C7     2.7035     3.3175    -0.0635	C.2	1	noname	0.0490
10	N2     3.8574     2.6476     0.1945	N.2	1	noname	-0.2291
11	C8     1.4815     2.6096    -0.0634	C.2	1	noname	-0.0013
12	C9     3.8894     1.3206     0.4545	C.2	1	noname	0.0528
13	C10     1.5444     1.2126     0.2106	C.2	1	noname	0.0567
14	C11     0.2304     3.2206    -0.3214	C.2	1	noname	0.0102
15	N3     2.7354     0.6197     0.4586	N.2	1	noname	-0.2392
16	C12     0.3714     0.4287     0.2266	C.2	1	noname	0.0182
17	C13    -0.9185     2.4157    -0.2973	C.2	1	noname	0.0080
18	C14    -0.8576     1.0567    -0.0302	C.2	1	noname	-0.0306
19	C15    -2.2575     2.6967    -0.5073	C.2	1	noname	0.0286
20	N4    -2.1167     0.5788    -0.0822	N.3	1	noname	-0.0016
21	N5    -2.9416     1.5448    -0.3682	N.2	1	noname	-0.2875
22	C16    -2.5257    -0.7671     0.1207	C.3	1	noname	0.1204
23	C17    -2.3068    -1.1730     1.4798	C.2	1	noname	0.1450
24	O1    -1.5508    -2.0950     1.7398	O.2	1	noname	-0.2488
25	O2    -2.9168    -0.5480     2.4678	O.3	1	noname	-0.2133
26	H1     3.8156     5.8834     1.7024	H	1	noname	0.0651
27	H2     7.0416     7.5354    -0.4476	H	1	noname	0.0634
28	H3     6.2276     6.4864    -2.4655	H	1	noname	0.0623
29	H4     1.8905     5.1005    -0.5035	H	1	noname	0.1357
30	H5     4.2165     5.1385    -2.4145	H	1	noname	0.0639
31	H6     4.7773     0.8546     0.6436	H	1	noname	0.1062
32	H7     0.1544     4.2196    -0.5213	H	1	noname	0.0638
33	H8     0.4143    -0.5722     0.4217	H	1	noname	0.0666
34	H9    -2.6566     3.6088    -0.7292	H	1	noname	0.0863
35	H10    -3.5907    -0.8610    -0.0951	H	1	noname	0.0599
36	H11    -1.9768    -1.4201    -0.5591	H	1	noname	0.0599
37	H12    -2.6918    -0.8999     3.3539	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	26	1
6	4	6	2
7	4	27	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	28	1
12	7	9	1
13	7	29	1
14	8	30	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	31	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	32	1
26	16	18	1
27	16	33	1
28	17	19	1
29	17	18	2
30	18	20	1
31	19	21	2
32	19	34	1
33	20	22	1
34	20	21	1
35	22	23	1
36	22	35	1
37	22	36	1
38	23	24	2
39	23	25	1
40	25	37	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1