@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445933
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     8.4848    -7.0960    -5.9687	Br	1	noname	-0.0431
2	C1     8.3838    -7.9450    -4.3027	C.2	1	noname	0.1226
3	C2     9.0507    -7.3649    -3.1796	C.2	1	noname	0.1522
4	C3     7.7267    -9.1839    -4.1326	C.2	1	noname	0.0338
5	O1     9.6257    -6.2579    -3.2996	O.2	1	noname	-0.2564
6	N1     8.9777    -8.0039    -1.9496	N.3	1	noname	-0.0801
7	N2     7.0487    -9.8468    -5.1185	N.3	1	noname	0.0496
8	C4     7.7097    -9.7298    -2.8326	C.2	1	noname	0.0606
9	N3     8.3146    -9.1038    -1.8546	N.2	1	noname	-0.1874
10	C5     9.5686    -7.5668    -0.7766	C.2	1	noname	0.0032
11	N4     6.2727    -9.2548    -5.9685	N.2	1	noname	-0.2139
12	C6     7.0126   -11.1738    -5.3725	C.2	1	noname	0.0230
13	C7     9.0006    -7.9098     0.4734	C.2	1	noname	-0.0053
14	C8    10.7625    -6.8028    -0.7535	C.2	1	noname	-0.0053
15	N5     5.7026   -10.1007    -6.7604	N.2	1	noname	-0.1374
16	C9     6.1336   -11.3258    -6.4404	C.2	1	noname	0.0847
17	C10     7.8466   -12.2117    -4.7354	C.3	1	noname	0.0375
18	C11     9.5665    -7.4927     1.6864	C.2	1	noname	-0.0047
19	C12    11.3575    -6.4058     0.4604	C.2	1	noname	-0.0047
20	C13     5.7126   -12.4807    -7.1174	C.2	1	noname	0.1454
21	C14    10.7564    -6.7397     1.6884	C.2	1	noname	0.0037
22	O2     6.2135   -13.6006    -6.8753	O.2	1	noname	-0.2825
23	C15     4.6455   -12.3866    -8.1223	C.3	1	noname	0.0008
24	C16    11.2904    -6.3656     2.8184	C.1	1	noname	0.0605
25	N6    11.7603    -6.0366     3.8115	N.1	1	noname	-0.1841
26	H1     7.1947   -10.5818    -2.6275	H	1	noname	0.0874
27	H2     8.1366    -8.4527     0.5014	H	1	noname	0.0640
28	H3    11.2395    -6.5668    -1.6225	H	1	noname	0.0640
29	H4     7.7425   -13.1776    -5.2264	H	1	noname	0.0294
30	H5     8.8935   -11.9076    -4.7954	H	1	noname	0.0294
31	H6     7.5665   -12.3337    -3.6904	H	1	noname	0.0294
32	H7     9.1045    -7.7557     2.5574	H	1	noname	0.0637
33	H8    12.2334    -5.8828     0.4315	H	1	noname	0.0637
34	H9     4.4585   -13.3686    -8.5552	H	1	noname	0.0314
35	H10     3.7305   -12.0256    -7.6492	H	1	noname	0.0314
36	H11     4.9385   -11.6936    -8.9122	H	1	noname	0.0314
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	8	9	2
13	8	26	1
14	10	13	2
15	10	14	1
16	11	15	2
17	12	16	2
18	12	17	1
19	13	18	1
20	13	27	1
21	14	19	2
22	14	28	1
23	15	16	1
24	16	20	1
25	17	29	1
26	17	30	1
27	17	31	1
28	18	21	2
29	18	32	1
30	19	21	1
31	19	33	1
32	20	22	2
33	20	23	1
34	21	24	1
35	23	34	1
36	23	35	1
37	23	36	1
38	24	25	3
@<TRIPOS>SUBSTRUCTURE
1	noname	1