@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3766
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.5114    -1.4203     3.9981	Br	1	noname	-0.0507
2	C1     5.1324    -0.5322     2.4071	C.2	1	noname	-0.0248
3	C2     3.8203    -0.1021     2.1321	C.2	1	noname	-0.0320
4	C3     6.1574    -0.2831     1.4752	C.2	1	noname	-0.0567
5	C4     3.5212     0.5649     0.9242	C.2	1	noname	-0.0232
6	C5     5.8703     0.3959     0.2792	C.2	1	noname	-0.0547
7	N1     2.2781     1.0199     0.6192	N.3	1	noname	0.0143
8	C6     4.5592     0.8220     0.0082	C.2	1	noname	-0.0549
9	C7     1.1130     0.3450     0.7863	C.2	1	noname	0.0915
10	N2     1.0530    -0.9169     1.2913	N.2	1	noname	-0.2088
11	C8    -0.0870     0.9661     0.4103	C.2	1	noname	0.0371
12	C9    -0.1160    -1.5889     1.4483	C.2	1	noname	0.0788
13	S1    -0.2661     2.5562    -0.2586	S.3	1	noname	-0.1858
14	C10    -1.2761     0.2571     0.5803	C.2	1	noname	0.0824
15	N3    -1.2821    -0.9968     1.0914	N.2	1	noname	-0.2212
16	C11    -1.9752     2.2592    -0.3075	C.2	1	noname	0.0536
17	C12    -2.3702     1.0041     0.1654	C.2	1	noname	0.0494
18	C13    -2.9342     3.1693    -0.7755	C.2	1	noname	0.0047
19	C14    -3.7253     0.6322     0.1824	C.2	1	noname	0.0482
20	C15    -4.2933     2.8044    -0.7604	C.2	1	noname	0.0261
21	C16    -4.7114     1.5353    -0.2844	C.2	1	noname	0.0402
22	N4    -6.0355     1.1913    -0.2774	N.2	1	noname	-0.0147
23	O1    -6.4125     0.1213     0.1216	O.2	1	noname	-0.1447
24	O2    -6.8915     1.9443    -0.6704	O.3	1	noname	-0.1447
25	H1     3.0772    -0.2701     2.8122	H	1	noname	0.0651
26	H2     7.1134    -0.5891     1.6612	H	1	noname	0.0634
27	H3     6.6162     0.5809    -0.3927	H	1	noname	0.0623
28	H4     2.2220     1.8930     0.1982	H	1	noname	0.1357
29	H5     4.3621     1.3170    -0.8627	H	1	noname	0.0639
30	H6    -0.1160    -2.5339     1.8324	H	1	noname	0.1062
31	H7    -2.6503     4.0864    -1.1204	H	1	noname	0.0638
32	H8    -3.9963    -0.2877     0.5315	H	1	noname	0.0654
33	H9    -4.9874     3.4704    -1.1023	H	1	noname	0.0647
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	25	1
6	4	6	2
7	4	26	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	27	1
12	7	9	1
13	7	28	1
14	8	29	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	30	1
22	13	16	1
23	14	17	1
24	14	15	1
25	16	18	1
26	16	17	2
27	17	19	1
28	18	20	2
29	18	31	1
30	19	21	2
31	19	32	1
32	20	21	1
33	20	33	1
34	21	22	1
35	22	23	2
36	22	24	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1