@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3735
25 27 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.2622     4.3465     4.3465	Br	1	noname	-0.0507
2	C1     1.4121     4.4595     2.6946	C.2	1	noname	-0.0248
3	C2     0.3831     3.5566     2.3656	C.2	1	noname	-0.0320
4	C3     1.7910     5.4526     1.7717	C.2	1	noname	-0.0567
5	C4    -0.2628     3.6306     1.1117	C.2	1	noname	-0.0232
6	C5     1.1410     5.5416     0.5287	C.2	1	noname	-0.0547
7	N1    -1.2779     2.8037     0.7517	N.3	1	noname	0.0123
8	C6     0.1160     4.6377     0.2047	C.2	1	noname	-0.0549
9	C7    -1.3309     1.4618     0.9457	C.2	1	noname	0.0743
10	N2    -0.3330     0.7549     1.5428	N.2	1	noname	-0.2245
11	C8    -2.4599     0.7609     0.4978	C.2	1	noname	0.0220
12	C9    -0.3940    -0.5900     1.7228	C.2	1	noname	0.0618
13	S1    -3.8529     1.4219    -0.2911	S.3	1	noname	-0.2046
14	C10    -2.4999    -0.6169     0.6919	C.2	1	noname	0.0856
15	N3    -1.4830    -1.2749     1.2939	N.2	1	noname	-0.2348
16	C11    -4.4930    -0.1909    -0.3570	C.2	1	noname	0.0378
17	C12    -3.6719    -1.1659     0.1989	C.2	1	noname	0.0314
18	H1     0.0970     2.8446     3.0397	H	1	noname	0.0651
19	H2     2.5340     6.1146     1.9967	H	1	noname	0.0634
20	H3     1.4139     6.2646    -0.1371	H	1	noname	0.0623
21	H4    -2.0169     3.2038     0.2678	H	1	noname	0.1357
22	H5    -0.3510     4.7128    -0.7001	H	1	noname	0.0639
23	H6     0.3758    -1.0809     2.1758	H	1	noname	0.1062
24	H7    -5.4000    -0.4048    -0.7710	H	1	noname	0.0740
25	H8    -3.9040    -2.1588     0.2380	H	1	noname	0.0654
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	18	1
6	4	6	2
7	4	19	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	20	1
12	7	9	1
13	7	21	1
14	8	22	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	23	1
22	13	16	1
23	14	17	1
24	14	15	1
25	16	17	2
26	16	24	1
27	17	25	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1