@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3775
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.0263    -0.9877     3.2349	Br	1	noname	-0.0507
2	C1     5.3783    -0.3166     1.6240	C.2	1	noname	-0.0248
3	C2     4.0313     0.0803     1.5141	C.2	1	noname	-0.0321
4	C3     6.2332    -0.1976     0.5131	C.2	1	noname	-0.0568
5	C4     3.5283     0.5844     0.2952	C.2	1	noname	-0.0232
6	C5     5.7442     0.3204    -0.6976	C.2	1	noname	-0.0547
7	N1     2.2463     1.0054     0.1353	N.3	1	noname	0.0112
8	C6     4.4002     0.7134    -0.8036	C.2	1	noname	-0.0549
9	C7     1.1293     0.4045     0.6173	C.2	1	noname	0.0698
10	N2     1.1552    -0.7454     1.3443	N.2	1	noname	-0.2136
11	C8    -0.1166     0.9855     0.3424	C.2	1	noname	0.0355
12	C9     0.0292    -1.3403     1.8144	C.2	1	noname	0.0641
13	S1    -0.4026     2.4365    -0.5644	S.3	1	noname	-0.1969
14	C10    -1.2606     0.3586     0.8354	C.2	1	noname	0.0642
15	N3    -1.1807    -0.7833     1.5584	N.2	1	noname	-0.2332
16	C11    -2.0956     2.1926    -0.2734	C.2	1	noname	0.0445
17	C12    -2.4066     1.0556     0.4805	C.2	1	noname	0.0243
18	C13    -3.1186     3.0376    -0.7333	C.2	1	noname	0.0201
19	C14    -3.7406     0.7387     0.7895	C.2	1	noname	-0.0138
20	C15    -4.4626     2.7386    -0.4352	C.2	1	noname	0.0151
21	C16    -4.7656     1.5857     0.3276	C.2	1	noname	-0.0120
22	O1    -5.4086     3.5996    -0.9131	O.3	1	noname	-0.2759
23	C17    -6.8066     3.4207    -0.6711	C.3	1	noname	0.0423
24	H1     3.4143     0.0094     2.3241	H	1	noname	0.0651
25	H2     7.2121    -0.4815     0.5782	H	1	noname	0.0634
26	H3     6.3671     0.4124    -1.5006	H	1	noname	0.0623
27	H4     2.1133     1.7914    -0.4176	H	1	noname	0.1357
28	H5     4.0562     1.0905    -1.6875	H	1	noname	0.0639
29	H6     0.0932    -2.2012     2.3574	H	1	noname	0.1062
30	H7    -2.8877     3.8655    -1.2832	H	1	noname	0.0665
31	H8    -3.9657    -0.0911     1.3396	H	1	noname	0.0631
32	H9    -5.7346     1.3578     0.5497	H	1	noname	0.0650
33	H10    -7.3536     4.2317    -1.1540	H	1	noname	0.0535
34	H11    -7.1456     2.4718    -1.0880	H	1	noname	0.0535
35	H12    -7.0116     3.4467     0.3998	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	1
19	11	14	2
20	12	15	2
21	12	29	1
22	13	16	1
23	14	17	1
24	14	15	1
25	16	18	1
26	16	17	2
27	17	19	1
28	18	20	2
29	18	30	1
30	19	21	2
31	19	31	1
32	20	22	1
33	20	21	1
34	21	32	1
35	22	23	1
36	23	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1