@<TRIPOS>MOLECULE
DB07491
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.9400    -1.5887     0.0286	Br	1	noname	-0.0481
2	C1    -0.0080     0.0166    -0.0233	C.2	1	noname	0.0499
3	C2     1.3814     0.0152     0.0175	C.2	1	noname	0.0524
4	C3    -0.6998     1.2196    -0.1030	C.2	1	noname	0.0626
5	N1     2.0483    -1.1445     0.0943	N.3	1	noname	-0.1368
6	C4     2.0790     1.2169    -0.0214	C.2	1	noname	0.0499
7	C5    -0.0022     2.4213    -0.1418	C.2	1	noname	0.0568
8	C6    -2.0892     1.2210    -0.1437	C.2	1	noname	0.1012
9	Br2     3.9352     1.2150     0.0331	Br	1	noname	-0.0481
10	C7     1.3872     2.4199    -0.1010	C.2	1	noname	0.0626
11	Br3    -0.9263     4.0284    -0.2482	Br	1	noname	-0.0489
12	O1    -2.7275     2.1847     0.3322	O.2	1	noname	-0.2564
13	O2    -2.7493     0.1816    -0.6973	O.3	1	noname	-0.2169
14	C8     2.0849     3.6215    -0.1399	C.2	1	noname	0.1012
15	O3     1.5723     4.6574     0.3361	O.2	1	noname	-0.2564
16	O4     3.3160     3.6697    -0.6917	O.3	1	noname	-0.2169
17	H1     1.5413    -2.0176     0.1232	H	1	noname	0.1243
18	H2     3.0578    -1.1455     0.1232	H	1	noname	0.1243
19	H3    -3.1047    -0.3781    -0.0030	H	1	noname	0.2216
20	H4     3.9775     3.6956     0.0035	H	1	noname	0.2216
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	3	6	1
6	4	7	2
7	4	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	7	10	1
12	8	12	2
13	8	13	1
14	10	14	1
15	14	15	2
16	14	16	1
17	5	17	1
18	5	18	1
19	13	19	1
20	16	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1