@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=50445930
33 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    11.2952    -2.8587    -1.2121	Br	1	noname	-0.0431
2	C1     9.9462    -3.6607    -0.1870	C.2	1	noname	0.1229
3	C2    10.3512    -4.3766     0.9759	C.2	1	noname	0.1542
4	C3     8.5782    -3.6566    -0.5530	C.2	1	noname	0.0338
5	O1    11.5561    -4.4205     1.3259	O.2	1	noname	-0.2561
6	N1     9.3922    -5.0405     1.7089	N.3	1	noname	-0.0658
7	N2     8.0542    -2.9566    -1.6259	N.3	1	noname	0.0496
8	C4     7.6992    -4.3755     0.3029	C.2	1	noname	0.0609
9	N3     8.1602    -5.0095     1.3570	N.2	1	noname	-0.1843
10	C5     9.6861    -5.7565     2.8289	C.2	1	noname	0.0605
11	N4     8.5981    -1.8776    -2.1028	N.2	1	noname	-0.2139
12	C6     6.9141    -3.1575    -2.3348	C.2	1	noname	0.0230
13	C7     9.4451    -7.1394     2.8970	C.2	1	noname	0.0557
14	C8    10.2291    -5.1544     3.9789	C.2	1	noname	0.0557
15	N5     7.9001    -1.3386    -3.0468	N.2	1	noname	-0.1374
16	C9     6.8141    -2.0945    -3.2298	C.2	1	noname	0.0847
17	C10     5.9991    -4.3134    -2.3158	C.3	1	noname	0.0375
18	N6     9.7370    -7.8353     4.0219	N.2	1	noname	-0.2067
19	N7    10.5020    -5.8964     5.0789	N.2	1	noname	-0.2067
20	C11     5.8121    -1.8205    -4.1777	C.2	1	noname	0.1454
21	C12    10.2629    -7.2283     5.1120	C.2	1	noname	0.0625
22	O2     4.8081    -2.5594    -4.2897	O.2	1	noname	-0.2825
23	C13     5.9131    -0.6475    -5.0526	C.3	1	noname	0.0008
24	H1     6.6931    -4.3755     0.1450	H	1	noname	0.0874
25	H2     9.0481    -7.6273     2.0930	H	1	noname	0.0858
26	H3    10.4210    -4.1524     3.9880	H	1	noname	0.0858
27	H4     5.7601    -4.6114    -3.3367	H	1	noname	0.0294
28	H5     6.4561    -5.1744    -1.8328	H	1	noname	0.0294
29	H6     5.0781    -4.0444    -1.7978	H	1	noname	0.0294
30	H7    10.4759    -7.7693     5.9499	H	1	noname	0.1061
31	H8     5.0470    -0.5994    -5.7126	H	1	noname	0.0314
32	H9     5.9510     0.2605    -4.4486	H	1	noname	0.0314
33	H10     6.8180    -0.7164    -5.6576	H	1	noname	0.0314
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	8	9	2
13	8	24	1
14	10	13	2
15	10	14	1
16	11	15	2
17	12	16	2
18	12	17	1
19	13	18	1
20	13	25	1
21	14	19	2
22	14	26	1
23	15	16	1
24	16	20	1
25	17	27	1
26	17	28	1
27	17	29	1
28	18	21	2
29	19	21	1
30	20	22	2
31	20	23	1
32	21	30	1
33	23	31	1
34	23	32	1
35	23	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1