@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3597
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -5.4542    -4.1327     6.4241	Br	1	noname	-0.0507
2	C1    -5.4382    -3.9637     4.5702	C.2	1	noname	-0.0101
3	C2    -5.6343    -2.7037     3.9743	C.2	1	noname	0.0078
4	C3    -5.2293    -5.0956     3.7593	C.2	1	noname	-0.0304
5	C4    -5.6393    -2.5756     2.5724	C.2	1	noname	0.0077
6	C5    -5.2104    -4.9655     2.3595	C.2	1	noname	-0.0401
7	N1    -5.7904    -1.3937     2.0165	N.2	1	noname	-0.2262
8	C6    -5.4084    -3.7075     1.7675	C.2	1	noname	-0.0154
9	C7    -6.8544    -0.7147     1.6355	C.2	1	noname	-0.0149
10	N2    -8.1814    -1.1296     1.7386	N.3	1	noname	0.0068
11	C8    -6.5875     0.5652     1.0667	C.2	1	noname	0.0103
12	C9    -9.1864    -0.3036     1.2936	C.2	1	noname	-0.0292
13	C10    -8.5734    -2.3945     2.2876	C.3	1	noname	-0.0010
14	C11    -7.6915     1.3382     0.6397	C.2	1	noname	0.0371
15	C12    -5.2986     1.1132     0.9007	C.2	1	noname	0.0291
16	N3    -8.9214     0.8723     0.7727	N.2	1	noname	-0.2284
17	C13    -7.4986     2.6072     0.0688	C.2	1	noname	0.0107
18	N4    -5.1487     2.3412     0.3468	N.2	1	noname	-0.2584
19	C14    -6.1927     3.1013    -0.0710	C.2	1	noname	0.0391
20	N5    -5.9927     4.3193    -0.6170	N.3	1	noname	-0.1086
21	C15    -4.7028     4.8833    -0.7849	C.3	1	noname	-0.0101
22	H1    -5.7824    -1.8757     4.5553	H	1	noname	0.0657
23	H2    -5.0844    -6.0145     4.1794	H	1	noname	0.0634
24	H3    -5.0514    -5.7854     1.7735	H	1	noname	0.0623
25	H4    -5.3894    -3.6175     0.7507	H	1	noname	0.0645
26	H5   -10.1624    -0.5945     1.3637	H	1	noname	0.0978
27	H6    -8.1245    -3.2034     1.7137	H	1	noname	0.0403
28	H7    -8.2565    -2.4594     3.3286	H	1	noname	0.0403
29	H8    -9.6564    -2.5414     2.2677	H	1	noname	0.0403
30	H9    -4.4687     0.5953     1.1928	H	1	noname	0.0848
31	H10    -8.2986     3.1633    -0.2390	H	1	noname	0.0679
32	H11    -6.7647     4.8313    -0.9059	H	1	noname	0.1292
33	H12    -4.0959     4.2434    -1.4278	H	1	noname	0.0396
34	H13    -4.2140     4.9924     0.1840	H	1	noname	0.0396
35	H14    -4.7989     5.8654    -1.2478	H	1	noname	0.0396
@<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	2
13	8	25	1
14	9	10	1
15	9	11	1
16	10	12	1
17	10	13	1
18	11	14	2
19	11	15	1
20	12	16	2
21	12	26	1
22	13	27	1
23	13	28	1
24	13	29	1
25	14	17	1
26	14	16	1
27	15	18	2
28	15	30	1
29	17	19	2
30	17	31	1
31	18	19	1
32	19	20	1
33	20	21	1
34	20	32	1
35	21	33	1
36	21	34	1
37	21	35	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1