@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3542
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.5869     4.4323     3.1011	Br	1	noname	-0.0507
2	C1     4.3158     4.7803     1.7871	C.2	1	noname	-0.0249
3	C2     3.1377     4.0123     1.7211	C.2	1	noname	-0.0324
4	C3     4.5257     5.8164     0.8571	C.2	1	noname	-0.0570
5	C4     2.1716     4.2644     0.7231	C.2	1	noname	-0.0232
6	C5     3.5606     6.0835    -0.1278	C.2	1	noname	-0.0547
7	N1     1.0045     3.5754     0.6322	N.3	1	noname	0.0056
8	C6     2.3875     5.3135    -0.1908	C.2	1	noname	-0.0552
9	C7     0.8424     2.2264     0.7332	C.2	1	noname	0.0398
10	N2     1.9104     1.4084     0.9283	N.2	1	noname	-0.2546
11	C8    -0.4436     1.6534     0.6203	C.2	1	noname	-0.0301
12	C9     1.7954     0.0654     1.0273	C.2	1	noname	0.0449
13	C10    -0.5386     0.2464     0.7263	C.2	1	noname	0.0518
14	C11    -1.6187     2.4025     0.4143	C.2	1	noname	-0.0180
15	N3     0.5723    -0.5015     0.9254	N.2	1	noname	-0.2641
16	C12    -1.7897    -0.3875     0.6274	C.2	1	noname	-0.0033
17	C13    -2.8628     1.7565     0.3174	C.2	1	noname	-0.0448
18	C14    -2.9808     0.3505     0.4224	C.2	1	noname	-0.0039
19	N4    -4.2099    -0.2774     0.3285	N.3	1	noname	-0.1359
20	C15    -5.4170     0.4696     0.1285	C.3	1	noname	-0.0087
21	C16    -4.3300    -1.7024     0.4295	C.3	1	noname	-0.0087
22	H1     2.9756     3.2703     2.4032	H	1	noname	0.0651
23	H2     5.3747     6.3825     0.8941	H	1	noname	0.0634
24	H3     3.7116     6.8386    -0.7978	H	1	noname	0.0623
25	H4     0.2114     4.0955     0.4322	H	1	noname	0.1357
26	H5     1.6905     5.5185    -0.9078	H	1	noname	0.0639
27	H6     2.6224    -0.5135     1.1754	H	1	noname	0.1062
28	H7    -1.5817     3.4196     0.3333	H	1	noname	0.0631
29	H8    -1.8258    -1.4035     0.7074	H	1	noname	0.0662
30	H9    -3.6909     2.3316     0.1694	H	1	noname	0.0639
31	H10    -6.2931    -0.1783     0.0835	H	1	noname	0.0398
32	H11    -5.5601     1.1697     0.9536	H	1	noname	0.0398
33	H12    -5.3590     1.0237    -0.8094	H	1	noname	0.0398
34	H13    -5.3650    -2.0314     0.3335	H	1	noname	0.0398
35	H14    -3.7510    -2.1804    -0.3624	H	1	noname	0.0398
36	H15    -3.9600    -2.0384     1.3996	H	1	noname	0.0398
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	22	1
6	4	6	2
7	4	23	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	24	1
12	7	9	1
13	7	25	1
14	8	26	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	27	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	28	1
26	16	18	1
27	16	29	1
28	17	18	2
29	17	30	1
30	18	19	1
31	19	20	1
32	19	21	1
33	20	31	1
34	20	32	1
35	20	33	1
36	21	34	1
37	21	35	1
38	21	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1