@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3669
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.5734     6.9187     7.3578	Br	1	noname	-0.0507
2	C1     1.4244     7.1368     5.5149	C.2	1	noname	-0.0249
3	C2     0.7703     6.1619     4.7380	C.2	1	noname	-0.0323
4	C3     1.9654     8.2778     4.8940	C.2	1	noname	-0.0569
5	C4     0.6423     6.3239     3.3441	C.2	1	noname	-0.0232
6	C5     1.8563     8.4399     3.5030	C.2	1	noname	-0.0547
7	N1     0.0233     5.3380     2.6452	N.3	1	noname	0.0083
8	C6     1.2022     7.4649     2.7311	C.2	1	noname	-0.0551
9	C7    -0.9037     5.5021     1.6593	C.2	1	noname	0.0585
10	N2    -1.3117     6.7421     1.2843	N.2	1	noname	-0.2177
11	C8    -1.4707     4.3792     1.0213	C.2	1	noname	0.0044
12	C9    -2.2368     6.9491     0.3184	C.2	1	noname	0.0594
13	C10    -2.4377     4.6162     0.0144	C.2	1	noname	0.0257
14	C11    -1.1398     3.0433     1.3194	C.2	1	noname	0.0263
15	N3    -2.7888     5.8842    -0.3044	N.2	1	noname	-0.2356
16	C12    -3.0427     3.5433    -0.6594	C.2	1	noname	0.0111
17	N4    -1.7448     2.0323     0.6474	N.2	1	noname	-0.2550
18	C13    -2.6748     2.2324    -0.3214	C.2	1	noname	0.0396
19	N5    -3.2498     1.1926    -0.9613	N.3	1	noname	-0.1002
20	C14    -2.9309    -0.1623    -0.6753	C.3	1	noname	0.0875
21	C15    -3.6989    -1.0362    -1.5172	C.2	1	noname	0.1423
22	O1    -4.4619    -1.8581    -1.0342	O.2	1	noname	-0.2506
23	O2    -3.5909    -0.9621    -2.8301	O.3	1	noname	-0.2148
24	H1     0.3793     5.3310     5.1850	H	1	noname	0.0651
25	H2     2.4423     8.9929     5.4450	H	1	noname	0.0634
26	H3     2.2532     9.2639     3.0521	H	1	noname	0.0623
27	H4     0.2292     4.4281     2.9072	H	1	noname	0.1357
28	H5     1.1391     7.5870     1.7192	H	1	noname	0.0639
29	H6    -2.5148     7.8972     0.0655	H	1	noname	0.1062
30	H7    -0.4479     2.8213     2.0354	H	1	noname	0.0848
31	H8    -3.7408     3.7164    -1.3843	H	1	noname	0.0679
32	H9    -3.9069     1.3756    -1.6503	H	1	noname	0.1302
33	H10    -1.8699    -0.3392    -0.8602	H	1	noname	0.0540
34	H11    -3.1499    -0.3782     0.3727	H	1	noname	0.0540
35	H12    -4.1560    -1.6050    -3.3060	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	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	2
23	13	15	1
24	14	17	1
25	14	30	1
26	16	18	1
27	16	31	1
28	17	18	2
29	18	19	1
30	19	20	1
31	19	32	1
32	20	21	1
33	20	33	1
34	20	34	1
35	21	22	2
36	21	23	1
37	23	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1