@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3773
33 36 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.9257     3.1326     3.4910	Br	1	noname	-0.0507
2	C1     4.8266     1.7817     2.2141	C.2	1	noname	-0.0248
3	C2     3.6087     1.5138     1.5612	C.2	1	noname	-0.0322
4	C3     5.9706     1.0268     1.8952	C.2	1	noname	-0.0568
5	C4     3.5216     0.4828     0.5994	C.2	1	noname	-0.0232
6	C5     5.8965     0.0139     0.9253	C.2	1	noname	-0.0547
7	N1     2.3816     0.1899    -0.0785	N.3	1	noname	0.0086
8	C6     4.6785    -0.2519     0.2774	C.2	1	noname	-0.0550
9	C7     1.1257     0.1390     0.4335	C.2	1	noname	0.0526
10	N2     0.8447     0.3820     1.7425	N.2	1	noname	-0.2172
11	C8     0.0647    -0.1928    -0.4203	C.2	1	noname	0.0348
12	C9    -0.4143     0.3211     2.2455	C.2	1	noname	0.0562
13	S1     0.1747    -0.5508    -2.1142	S.3	1	noname	-0.2120
14	C10    -1.2202    -0.2508     0.1166	C.2	1	noname	0.0585
15	N3    -1.4483     0.0031     1.4266	N.2	1	noname	-0.2452
16	C11    -1.5442    -0.7847    -2.0971	C.2	1	noname	0.0347
17	C12    -2.1532    -0.5927    -0.8522	C.2	1	noname	0.0276
18	C13    -2.3153    -1.1396    -3.2150	C.2	1	noname	0.0075
19	C14    -3.5412    -0.7507    -0.6952	C.2	1	noname	0.0327
20	C15    -3.7073    -1.3035    -3.0730	C.2	1	noname	0.0382
21	C16    -4.3202    -1.1086    -1.8141	C.2	1	noname	0.0395
22	N4    -4.4403    -1.6455    -4.1479	N.3	1	noname	-0.1359
23	F1    -5.6082    -1.2575    -1.6680	F	1	noname	-0.1598
24	H1     2.7826     2.0708     1.7803	H	1	noname	0.0651
25	H2     6.8615     1.2118     2.3602	H	1	noname	0.0634
26	H3     6.7284    -0.5279     0.6893	H	1	noname	0.0623
27	H4     2.4806    -0.0539    -1.0124	H	1	noname	0.1357
28	H5     4.6364    -0.9888    -0.4274	H	1	noname	0.0639
29	H6    -0.5823     0.5131     3.2325	H	1	noname	0.1062
30	H7    -1.8653    -1.2786    -4.1210	H	1	noname	0.0655
31	H8    -3.9793    -0.6096     0.2167	H	1	noname	0.0661
32	H9    -5.3993    -1.7594    -4.0598	H	1	noname	0.1243
33	H10    -4.0134    -1.7774    -5.0078	H	1	noname	0.1243
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	24	1
6	4	6	2
7	4	25	1
8	5	7	1
9	5	8	2
10	6	8	1
11	6	26	1
12	7	9	1
13	7	27	1
14	8	28	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	29	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	30	1
30	19	21	2
31	19	31	1
32	20	22	1
33	20	21	1
34	21	23	1
35	22	32	1
36	22	33	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1