@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3544
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.5649     4.7686    -1.4995	Br	1	noname	-0.0507
2	C1     4.2529     4.9456    -0.1905	C.2	1	noname	-0.0249
3	C2     3.0818     4.1677    -0.2534	C.2	1	noname	-0.0325
4	C3     4.4258     5.8627     0.8635	C.2	1	noname	-0.0571
5	C4     2.0838     4.2927     0.7375	C.2	1	noname	-0.0232
6	C5     3.4288     6.0037     1.8435	C.2	1	noname	-0.0547
7	N1     0.9227     3.5878     0.7046	N.3	1	noname	0.0025
8	C6     2.2608     5.2247     1.7765	C.2	1	noname	-0.0553
9	C7     0.7887     2.2539     0.4646	C.2	1	noname	0.0191
10	N2     1.8807     1.4739     0.2497	N.2	1	noname	-0.2598
11	C8    -0.4912     1.6559     0.4507	C.2	1	noname	-0.0304
12	C9     1.7966     0.1440     0.0167	C.2	1	noname	0.0229
13	C10    -0.5523     0.2629     0.2017	C.2	1	noname	0.0271
14	C11    -1.6903     2.3679     0.6637	C.2	1	noname	-0.0144
15	N3     0.5816    -0.4459    -0.0051	N.2	1	noname	-0.2695
16	C12    -1.7933    -0.3949     0.1708	C.2	1	noname	-0.0028
17	C13    -2.9303     1.7050     0.6317	C.2	1	noname	-0.0170
18	C14    -2.9933     0.3160     0.3858	C.2	1	noname	-0.0018
19	N4    -4.0463     2.4290     0.8378	N.3	1	noname	-0.1496
20	N5    -4.2073    -0.2958     0.3639	N.3	1	noname	-0.1387
21	C15    -4.4164    -1.6808     0.1289	C.3	1	noname	-0.0115
22	H1     2.9468     3.5117    -1.0244	H	1	noname	0.0651
23	H2     5.2708     6.4337     0.9215	H	1	noname	0.0634
24	H3     3.5527     6.6728     2.6035	H	1	noname	0.0623
25	H4     0.1137     4.0788     0.9126	H	1	noname	0.1357
26	H5     1.5407     5.3378     2.4916	H	1	noname	0.0639
27	H6     2.6406    -0.4059    -0.1412	H	1	noname	0.1062
28	H7    -1.6663     3.3729     0.8417	H	1	noname	0.0648
29	H8    -1.8184    -1.3989    -0.0091	H	1	noname	0.0662
30	H9    -4.9173     2.0050     0.8148	H	1	noname	0.1243
31	H10    -3.9813     3.3820     1.0098	H	1	noname	0.1243
32	H11    -4.9914     0.2511     0.5219	H	1	noname	0.1278
33	H12    -5.4854    -1.8907     0.1699	H	1	noname	0.0395
34	H13    -4.0404    -1.9557    -0.8569	H	1	noname	0.0395
35	H14    -3.9114    -2.2737     0.8929	H	1	noname	0.0395
@<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	19	1
29	17	18	2
30	18	20	1
31	19	30	1
32	19	31	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