@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3778
35 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.7475     2.0659     2.6953	Br	1	noname	-0.0507
2	C1     5.6515     1.0230     1.6104	C.2	1	noname	-0.0248
3	C2     4.3026     1.3780     1.4174	C.2	1	noname	-0.0320
4	C3     6.1694    -0.1228     0.9785	C.2	1	noname	-0.0567
5	C4     3.4626     0.5911     0.6055	C.2	1	noname	-0.0232
6	C5     5.3434    -0.9037     0.1546	C.2	1	noname	-0.0547
7	N1     2.1776     1.0042     0.4456	N.3	1	noname	0.0126
8	C6     3.9985    -0.5456    -0.0363	C.2	1	noname	-0.0549
9	C7     1.0726     0.2183     0.3886	C.2	1	noname	0.0776
10	N2     1.1145    -1.1375     0.4897	N.2	1	noname	-0.2218
11	C8    -0.1783     0.8313     0.2327	C.2	1	noname	0.0255
12	C9     0.0006    -1.9114     0.4377	C.2	1	noname	0.0573
13	S1    -0.4873     2.5322     0.0908	S.3	1	noname	-0.1757
14	C10    -1.3102     0.0184     0.1828	C.2	1	noname	0.0609
15	N3    -1.2143    -1.3284     0.2838	N.2	1	noname	-0.2277
16	C11    -2.1732     2.1423    -0.0371	C.2	1	noname	0.0649
17	C12    -2.4632     0.7744     0.0268	C.2	1	noname	0.0348
18	C13    -3.2012     3.0903    -0.1940	C.2	1	noname	0.0436
19	C14    -3.7882     0.3124    -0.0630	C.2	1	noname	-0.0287
20	O1    -2.8433     4.4063    -0.2509	O.3	1	noname	-0.2685
21	C15    -4.5342     2.6274    -0.2840	C.2	1	noname	-0.0088
22	C16    -4.8242     1.2504    -0.2190	C.2	1	noname	-0.0386
23	C17    -3.8003     5.4543    -0.4279	C.3	1	noname	0.0424
24	H1     3.9245     2.2100     1.8734	H	1	noname	0.0651
25	H2     7.1453    -0.3917     1.1095	H	1	noname	0.0634
26	H3     5.7213    -1.7296    -0.3102	H	1	noname	0.0623
27	H4     2.0296     1.9622     0.4156	H	1	noname	0.1357
28	H5     3.4135    -1.1146    -0.6492	H	1	noname	0.0639
29	H6     0.0755    -2.9253     0.5148	H	1	noname	0.1062
30	H7    -3.9983    -0.6854    -0.0160	H	1	noname	0.0630
31	H8    -5.3002     3.2914    -0.3979	H	1	noname	0.0650
32	H9    -5.7913     0.9315    -0.2849	H	1	noname	0.0623
33	H10    -3.2764     6.4103    -0.4478	H	1	noname	0.0535
34	H11    -4.3333     5.3254    -1.3708	H	1	noname	0.0535
35	H12    -4.5124     5.4614     0.3990	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	1
29	18	21	2
30	19	22	2
31	19	30	1
32	20	23	1
33	21	22	1
34	21	31	1
35	22	32	1
36	23	33	1
37	23	34	1
38	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1