@<TRIPOS>MOLECULE
88154879
12 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     0.7784    -1.3346     2.3896	Br	1	noname	-0.0893
2	O1    -0.8813    -2.0669    -0.1342	O.3	1	noname	-0.3817
3	O2    -3.1013    -0.4499    -1.0586	O.3	1	noname	-0.2104
4	O3    -3.5106    -0.5230     1.1549	O.2	1	noname	-0.2449
5	C1    -1.2793    -0.8616     0.5023	C.3	1	noname	0.1489
6	C2    -1.0805    -0.9931     2.0136	C.3	1	noname	0.0389
7	C3    -2.6877    -0.6029     0.2174	C.2	1	noname	0.1503
8	H1    -0.6750    -0.0358     0.1268	H	1	noname	0.0719
9	H2    -1.6848    -1.8189     2.3890	H	1	noname	0.0419
10	H3    -1.3860    -0.0679     2.5021	H	1	noname	0.0419
11	H4    -1.0087    -1.9827    -1.1022	H	1	noname	0.2112
12	H5    -4.0113    -0.7096    -1.3132	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	6	1
2	5	2	1
3	2	11	1
4	3	7	1
5	3	12	1
6	4	7	2
7	5	6	1
8	5	7	1
9	5	8	1
10	6	9	1
11	6	10	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1