@<TRIPOS>MOLECULE
DB04586
13 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.9285    -1.6082     0.0000	Br	1	noname	-0.0479
2	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0023
3	C2     1.3900     0.0000     0.0000	C.2	1	noname	0.0227
4	C3    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0270
5	O1     2.0650    -1.1691     0.0000	O.3	1	noname	-0.2796
6	C4     2.0850     1.2038     0.0000	C.2	1	noname	-0.0253
7	C5    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0662
8	C6     1.3900     2.4076     0.0000	C.2	1	noname	-0.0503
9	H1    -1.7850     1.2038     0.0000	H	1	noname	0.0635
10	H2     2.2250    -1.4463     0.9051	H	1	noname	0.2182
11	H3     3.1750     1.2038     0.0000	H	1	noname	0.0650
12	H4    -0.5450     3.3515     0.0000	H	1	noname	0.0623
13	H5     1.9350     3.3515     0.0000	H	1	noname	0.0623
@<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	6	8	2
8	7	8	1
9	4	9	1
10	5	10	1
11	6	11	1
12	7	12	1
13	8	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1