@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50441147
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.5978   -12.6704     0.7211	Br	1	noname	-0.0490
2	C1     7.2487   -13.5284     0.7351	C.2	1	noname	-0.0049
3	C2     8.4387   -12.7943     0.8752	C.2	1	noname	0.0073
4	C3     7.3327   -14.9253     0.6062	C.2	1	noname	0.0124
5	N1     9.6296   -13.4432     0.8862	N.2	1	noname	-0.2374
6	C4     8.5836   -15.5663     0.6142	C.2	1	noname	0.0404
7	C5     9.7496   -14.7922     0.7663	C.2	1	noname	0.0572
8	O1     8.6476   -16.9183     0.4903	O.3	1	noname	-0.2592
9	N2    10.9445   -15.4292     0.7873	N.3	1	noname	0.0585
10	C6     8.9685   -17.4652    -0.7926	C.3	1	noname	0.0786
11	C7    12.1555   -14.8461     0.9143	C.2	1	noname	0.0930
12	C8     9.1204   -18.9242    -0.6765	C.2	1	noname	-0.0434
13	S1    12.4325   -13.1400     1.0724	S.3	1	noname	-0.2183
14	N3    13.2605   -15.6060     0.9204	N.2	1	noname	-0.2209
15	C9     8.2734   -19.8022    -1.3835	C.2	1	noname	-0.0497
16	C10    10.1314   -19.4592     0.1474	C.2	1	noname	-0.0497
17	C11    14.1164   -13.5210     1.1464	C.2	1	noname	0.0049
18	C12    14.3784   -14.8810     1.0504	C.2	1	noname	0.0292
19	C13     8.4333   -21.1941    -1.2664	C.2	1	noname	-0.0585
20	C14    10.2923   -20.8501     0.2665	C.2	1	noname	-0.0585
21	C15    15.7134   -15.4819     1.0855	C.3	1	noname	0.0385
22	C16     9.4433   -21.7181    -0.4414	C.2	1	noname	-0.0611
23	H1     8.4177   -11.7783     0.9702	H	1	noname	0.0852
24	H2     6.4856   -15.4863     0.5032	H	1	noname	0.0663
25	H3    10.9285   -16.3951     0.7034	H	1	noname	0.1382
26	H4     8.1724   -17.2142    -1.4985	H	1	noname	0.0623
27	H5     9.9055   -17.0442    -1.1645	H	1	noname	0.0623
28	H6     7.5363   -19.4301    -1.9844	H	1	noname	0.0626
29	H7    10.7513   -18.8341     0.6645	H	1	noname	0.0626
30	H8    14.8454   -12.8139     1.2485	H	1	noname	0.0759
31	H9     7.8163   -21.8241    -1.7794	H	1	noname	0.0622
32	H10    11.0253   -21.2301     0.8665	H	1	noname	0.0622
33	H11    15.8893   -16.0219     0.1545	H	1	noname	0.0296
34	H12    15.7733   -16.1788     1.9215	H	1	noname	0.0296
35	H13    16.4813   -14.7159     1.2035	H	1	noname	0.0296
36	H14     9.5602   -22.7280    -0.3563	H	1	noname	0.0622
@<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	2
9	6	8	1
10	6	7	1
11	7	9	1
12	8	10	1
13	9	11	1
14	9	25	1
15	10	12	1
16	10	26	1
17	10	27	1
18	11	13	1
19	11	14	2
20	12	15	2
21	12	16	1
22	13	17	1
23	14	18	1
24	15	19	1
25	15	28	1
26	16	20	2
27	16	29	1
28	17	18	2
29	17	30	1
30	18	21	1
31	19	22	2
32	19	31	1
33	20	22	1
34	20	32	1
35	21	33	1
36	21	34	1
37	21	35	1
38	22	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1