@<TRIPOS>MOLECULE
http://www.bindingdb.org/bind/chemsearch/marvin/MolStructure.jsp?monomerid=3569
36 38 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     4.0284     4.2077     3.1322	Br	1	noname	-0.0507
2	C1     2.7803     4.4987     1.7812	C.2	1	noname	-0.0166
3	C2     3.0233     5.4678     0.7913	C.2	1	noname	-0.0312
4	C3     1.5883     3.7528     1.7503	C.2	1	noname	-0.0294
5	C4     2.0762     5.6928    -0.2256	C.2	1	noname	-0.0166
6	C5     0.6402     3.9588     0.7253	C.2	1	noname	-0.0149
7	Br2     2.3962     6.9809    -1.5316	Br	1	noname	-0.0507
8	C6     0.8861     4.9419    -0.2506	C.2	1	noname	-0.0294
9	N1    -0.5338     3.2789     0.6643	N.3	1	noname	0.0058
10	C7    -0.6998     1.9349     0.8164	C.2	1	noname	0.0373
11	N2     0.3691     1.1239     1.0324	N.2	1	noname	-0.2423
12	C8    -1.9879     1.3599     0.7384	C.2	1	noname	-0.0127
13	C9     0.2550    -0.2140     1.1844	C.2	1	noname	0.0406
14	C10    -2.0809    -0.0440     0.9025	C.2	1	noname	0.0462
15	C11    -3.1660     2.1049     0.5165	C.2	1	noname	0.0264
16	N3    -0.9689    -0.7840     1.1185	N.2	1	noname	-0.2520
17	C12    -3.3320    -0.6810     0.8365	C.2	1	noname	0.0378
18	C13    -4.4181     1.4679     0.4615	C.2	1	noname	0.0453
19	C14    -4.4991     0.0649     0.6015	C.2	1	noname	0.0600
20	O1    -5.5151     2.2480     0.2605	O.3	1	noname	-0.2654
21	O2    -5.6791    -0.6110     0.5286	O.3	1	noname	-0.2629
22	C15    -6.5352     2.2930     1.2626	C.3	1	noname	0.0424
23	C16    -6.4202    -0.5889    -0.6933	C.3	1	noname	0.0424
24	H1     3.8883     6.0119     0.8113	H	1	noname	0.0646
25	H2     1.4032     3.0568     2.4744	H	1	noname	0.0651
26	H3     0.1941     5.1059    -0.9845	H	1	noname	0.0651
27	H4    -1.3238     3.7979     0.4514	H	1	noname	0.1357
28	H5     1.0830    -0.7870     1.3465	H	1	noname	0.1062
29	H6    -3.1230     3.1190     0.4025	H	1	noname	0.0659
30	H7    -3.3940    -1.6940     0.9486	H	1	noname	0.0674
31	H8    -7.3043     2.9971     0.9476	H	1	noname	0.0535
32	H9    -6.9923     1.3120     1.3996	H	1	noname	0.0535
33	H10    -6.1152     2.6311     2.2117	H	1	noname	0.0535
34	H11    -7.3063    -1.2129    -0.5763	H	1	noname	0.0535
35	H12    -6.7363     0.4250    -0.9403	H	1	noname	0.0535
36	H13    -5.8142    -0.9889    -1.5083	H	1	noname	0.0535
@<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	9	1
11	6	8	1
12	8	26	1
13	9	10	1
14	9	27	1
15	10	11	2
16	10	12	1
17	11	13	1
18	12	14	1
19	12	15	2
20	13	16	2
21	13	28	1
22	14	17	2
23	14	16	1
24	15	18	1
25	15	29	1
26	17	19	1
27	17	30	1
28	18	20	1
29	18	19	2
30	19	21	1
31	20	22	1
32	21	23	1
33	22	31	1
34	22	32	1
35	22	33	1
36	23	34	1
37	23	35	1
38	23	36	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1