@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3560
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     6.0151     4.4205     0.3531	Br	1	noname	-0.0507
2	C1     4.3220     4.9015    -0.2508	C.2	1	noname	-0.0249
3	C2     3.2040     4.1075     0.0702	C.2	1	noname	-0.0324
4	C3     4.1520     6.0636    -1.0258	C.2	1	noname	-0.0571
5	C4     1.9169     4.4596    -0.3906	C.2	1	noname	-0.0232
6	C5     2.8709     6.4297    -1.4717	C.2	1	noname	-0.0547
7	N1     0.7988     3.7477    -0.0886	N.3	1	noname	0.0042
8	C6     1.7598     5.6337    -1.1506	C.2	1	noname	-0.0553
9	C7     0.6637     2.3917    -0.1035	C.2	1	noname	0.0352
10	N2     1.7017     1.5937    -0.4615	N.2	1	noname	-0.2341
11	C8    -0.5702     1.7957     0.2384	C.2	1	noname	0.0060
12	C9     1.6107     0.2457    -0.4974	C.2	1	noname	0.0383
13	C10    -0.6473     0.3797     0.1925	C.2	1	noname	0.0559
14	C11    -1.7103     2.5328     0.6235	C.2	1	noname	-0.0136
15	N3     0.4406    -0.3442    -0.1694	N.2	1	noname	-0.2352
16	C12    -1.8454    -0.2822     0.5295	C.2	1	noname	0.0765
17	C13    -2.9054     1.8718     0.9476	C.2	1	noname	-0.0038
18	O1    -1.8785    -1.6432     0.4976	O.3	1	noname	-0.2549
19	C14    -2.9855     0.4708     0.8876	C.2	1	noname	0.0564
20	C15    -2.0195    -2.3551     1.7287	C.3	1	noname	0.0425
21	O2    -4.1775    -0.1081     1.2007	O.3	1	noname	-0.2631
22	C16    -4.8476    -0.9120     0.2267	C.3	1	noname	0.0424
23	H1     3.3229     3.2726     0.6463	H	1	noname	0.0651
24	H2     4.9530     6.6507    -1.2637	H	1	noname	0.0634
25	H3     2.7489     7.2767    -2.0287	H	1	noname	0.0623
26	H4     0.0047     4.2628     0.1174	H	1	noname	0.1357
27	H5     0.8327     5.9108    -1.4776	H	1	noname	0.0639
28	H6     2.4156    -0.3192    -0.7694	H	1	noname	0.1062
29	H7    -1.6804     3.5518     0.6706	H	1	noname	0.0631
30	H8    -3.7255     2.4159     1.2196	H	1	noname	0.0651
31	H9    -1.9996    -3.4251     1.5197	H	1	noname	0.0535
32	H10    -1.1935    -2.1121     2.3998	H	1	noname	0.0535
33	H11    -2.9656    -2.1100     2.2138	H	1	noname	0.0535
34	H12    -5.8047    -1.2350     0.6378	H	1	noname	0.0535
35	H13    -5.0316    -0.3319    -0.6782	H	1	noname	0.0535
36	H14    -4.2606    -1.7960    -0.0232	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	23	1
6	4	6	2
7	4	24	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	25	1
12	7	9	1
13	7	26	1
14	8	27	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	28	1
22	13	16	2
23	13	15	1
24	14	17	1
25	14	29	1
26	16	18	1
27	16	19	1
28	17	19	2
29	17	30	1
30	18	20	1
31	19	21	1
32	20	31	1
33	20	32	1
34	20	33	1
35	21	22	1
36	22	34	1
37	22	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1