@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3595
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.0580     7.6001     3.7950	Br	1	noname	-0.0507
2	C1    -0.7918     7.4522     3.9451	C.2	1	noname	-0.0249
3	C2    -1.4899     6.4923     3.1882	C.2	1	noname	-0.0323
4	C3    -1.4988     8.2992     4.8191	C.2	1	noname	-0.0569
5	C4    -2.8899     6.3774     3.2892	C.2	1	noname	-0.0232
6	C5    -2.8928     8.1813     4.9382	C.2	1	noname	-0.0547
7	N1    -3.4999     5.4115     2.5544	N.3	1	noname	0.0083
8	C6    -3.5849     7.2214     4.1813	C.2	1	noname	-0.0551
9	C7    -4.6669     5.5285     1.8604	C.2	1	noname	0.0585
10	N2    -5.3509     6.7025     1.8335	N.2	1	noname	-0.2177
11	C8    -5.1799     4.4296     1.1395	C.2	1	noname	0.0042
12	C9    -6.5069     6.8616     1.1496	C.2	1	noname	0.0594
13	C10    -6.3899     4.6157     0.4316	C.2	1	noname	0.0257
14	C11    -4.5690     3.1638     1.0796	C.2	1	noname	0.0263
15	N3    -7.0140     5.8167     0.4577	N.2	1	noname	-0.2356
16	C12    -6.9540     3.5618    -0.3042	C.2	1	noname	0.0113
17	N4    -5.1460     2.1749     0.3557	N.2	1	noname	-0.2548
18	C13    -6.3080     2.3089    -0.3391	C.2	1	noname	0.0402
19	N5    -6.7960     1.2350    -1.0381	N.3	1	noname	-0.1014
20	C14    -8.0151     1.3100    -1.7850	C.3	1	noname	-0.0073
21	C15    -6.0731     0.0021    -1.0270	C.3	1	noname	-0.0073
22	H1    -0.9799     5.8734     2.5553	H	1	noname	0.0651
23	H2    -1.0059     9.0002     5.3751	H	1	noname	0.0634
24	H3    -3.4038     8.7913     5.5772	H	1	noname	0.0623
25	H4    -3.0330     4.5656     2.4844	H	1	noname	0.1357
26	H5    -4.5969     7.1364     4.2863	H	1	noname	0.0639
27	H6    -6.9900     7.7596     1.1556	H	1	noname	0.1062
28	H7    -3.6951     2.9768     1.5736	H	1	noname	0.0848
29	H8    -7.8269     3.7118    -0.8101	H	1	noname	0.0679
30	H9    -8.2431     0.3621    -2.2739	H	1	noname	0.0398
31	H10    -8.8430     1.5571    -1.1190	H	1	noname	0.0398
32	H11    -7.9311     2.0780    -2.5549	H	1	noname	0.0398
33	H12    -6.5732    -0.7628    -1.6219	H	1	noname	0.0398
34	H13    -5.0742     0.1571    -1.4379	H	1	noname	0.0398
35	H14    -5.9842    -0.3647    -0.0020	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	18	19	1
30	19	20	1
31	19	21	1
32	20	30	1
33	20	31	1
34	20	32	1
35	21	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1