@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3772
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     5.9327    -2.6038    -0.4486	Br	1	noname	-0.0507
2	C1     5.3837    -0.8899     0.0314	C.2	1	noname	-0.0248
3	C2     4.0347    -0.5138    -0.1095	C.2	1	noname	-0.0321
4	C3     6.3177     0.0361     0.5324	C.2	1	noname	-0.0568
5	C4     3.6087     0.7801     0.2584	C.2	1	noname	-0.0232
6	C5     5.9036     1.3311     0.8854	C.2	1	noname	-0.0547
7	N1     2.3267     1.2081     0.1185	N.3	1	noname	0.0097
8	C6     4.5556     1.7021     0.7435	C.2	1	noname	-0.0550
9	C7     1.2037     0.5102     0.4205	C.2	1	noname	0.0593
10	N2     1.2246    -0.7496     0.9335	N.2	1	noname	-0.2151
11	C8    -0.0412     1.1182     0.2096	C.2	1	noname	0.0351
12	C9     0.0936    -1.4355     1.2386	C.2	1	noname	0.0620
13	S1    -0.3203     2.7082    -0.4252	S.3	1	noname	-0.2101
14	C10    -1.1912     0.3963     0.5286	C.2	1	noname	0.0612
15	N3    -1.1163    -0.8575     1.0337	N.2	1	noname	-0.2423
16	C11    -2.0173     2.3922    -0.2632	C.2	1	noname	0.0335
17	C12    -2.3362     1.1313     0.2556	C.2	1	noname	0.0142
18	C13    -3.0373     3.2933    -0.6121	C.2	1	noname	-0.0099
19	C14    -3.6752     0.7433     0.4397	C.2	1	noname	-0.0238
20	C15    -4.3823     2.9144    -0.4361	C.2	1	noname	-0.0179
21	C16    -4.6992     1.6444     0.0898	C.2	1	noname	-0.0418
22	N4    -5.3653     3.7654    -0.7710	N.3	1	noname	-0.1539
23	H1     3.3587    -1.1797    -0.4874	H	1	noname	0.0651
24	H2     7.2996    -0.2227     0.6395	H	1	noname	0.0634
25	H3     6.5826     2.0031     1.2435	H	1	noname	0.0623
26	H4     2.2037     2.1201    -0.1883	H	1	noname	0.1357
27	H5     4.2656     2.6461     0.9995	H	1	noname	0.0639
28	H6     0.1525    -2.3794     1.6196	H	1	noname	0.1062
29	H7    -2.8003     4.2103    -0.9910	H	1	noname	0.0654
30	H8    -3.9053    -0.1765     0.8187	H	1	noname	0.0630
31	H9    -5.6742     1.3724     0.2178	H	1	noname	0.0639
32	H10    -6.2933     3.5075    -0.6509	H	1	noname	0.1242
33	H11    -5.1504     4.6374    -1.1349	H	1	noname	0.1242
@<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	1
9	5	8	2
10	6	8	1
11	6	25	1
12	7	9	1
13	7	26	1
14	8	27	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	28	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	29	1
30	19	21	2
31	19	30	1
32	20	22	1
33	20	21	1
34	21	31	1
35	22	32	1
36	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1