@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3621
35 37 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.3249     7.9537     2.6463	Br	1	noname	-0.0507
2	C1     3.9599     6.2297     3.2454	C.2	1	noname	-0.0248
3	C2     2.9328     5.4758     2.6444	C.2	1	noname	-0.0318
4	C3     4.7048     5.6758     4.3014	C.2	1	noname	-0.0565
5	C4     2.6507     4.1679     3.0855	C.2	1	noname	-0.0231
6	C5     4.4207     4.3779     4.7575	C.2	1	noname	-0.0547
7	N1     1.6297     3.5110     2.4775	N.3	1	noname	0.0157
8	C6     3.3947     3.6300     4.1575	C.2	1	noname	-0.0547
9	C7     1.5776     2.1921     2.1566	C.2	1	noname	0.0862
10	N2     2.5976     1.3321     2.4187	N.2	1	noname	-0.2094
11	C8     0.4266     1.7051     1.5137	C.2	1	noname	0.0420
12	C9     2.5446     0.0192     2.0917	C.2	1	noname	0.0612
13	N3    -0.6323     2.4982     1.2077	N.2	1	noname	-0.2352
14	C10     0.3906     0.3342     1.1807	C.2	1	noname	0.0075
15	N4     1.4415    -0.4676     1.4758	N.2	1	noname	-0.2378
16	C11    -1.7594     2.0532     0.5868	C.2	1	noname	0.0344
17	C12    -0.7523    -0.1676     0.5398	C.2	1	noname	0.0010
18	N5    -2.7704     2.9423     0.3238	N.3	1	noname	-0.1025
19	C13    -1.8284     0.6853     0.2419	C.2	1	noname	-0.0179
20	C14    -2.6134     4.3133     0.6989	C.3	1	noname	-0.0073
21	C15    -3.9824     2.5383    -0.3190	C.3	1	noname	-0.0073
22	H1     2.3868     5.8759     1.8795	H	1	noname	0.0651
23	H2     5.4517     6.2108     4.7465	H	1	noname	0.0634
24	H3     4.9567     3.9799     5.5295	H	1	noname	0.0623
25	H4     0.8696     4.0470     2.1996	H	1	noname	0.1358
26	H5     3.1876     2.6950     4.5096	H	1	noname	0.0639
27	H6     3.3285    -0.5966     2.3068	H	1	noname	0.1062
28	H7    -0.8034    -1.1546     0.2868	H	1	noname	0.0647
29	H8    -2.6514     0.3053    -0.2240	H	1	noname	0.0656
30	H9    -3.4895     4.9054     0.4329	H	1	noname	0.0398
31	H10    -2.4655     4.3863     1.7779	H	1	noname	0.0398
32	H11    -1.7455     4.7374     0.1909	H	1	noname	0.0398
33	H12    -4.6694     3.3773    -0.4390	H	1	noname	0.0398
34	H13    -3.7615     2.1353    -1.3079	H	1	noname	0.0398
35	H14    -4.4815     1.7734     0.2780	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	2
19	11	14	1
20	12	15	2
21	12	27	1
22	13	16	1
23	14	17	2
24	14	15	1
25	16	18	1
26	16	19	2
27	17	19	1
28	17	28	1
29	18	20	1
30	18	21	1
31	19	29	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