@<TRIPOS>MOLECULE
112500454
12 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.8374    -0.3628     2.9995	Br	1	noname	-0.0893
2	O1    -2.1213    -1.0623     0.2567	O.3	1	noname	-0.3817
3	O2    -1.0526    -3.6699    -0.4183	O.3	1	noname	-0.2104
4	O3     0.4172    -2.3168    -1.4582	O.2	1	noname	-0.2449
5	C1    -0.7422    -1.3845     0.3600	C.3	1	noname	0.1489
6	C2    -0.4237    -1.8090     1.7950	C.3	1	noname	0.0389
7	C3    -0.4287    -2.4803    -0.5526	C.2	1	noname	0.1503
8	H1    -0.1445    -0.5114     0.0982	H	1	noname	0.0719
9	H2    -1.0214    -2.6821     2.0568	H	1	noname	0.0419
10	H3     0.6349    -2.0563     1.8743	H	1	noname	0.0419
11	H4    -2.3253    -0.7904    -0.6625	H	1	noname	0.2112
12	H5    -1.2072    -4.2337    -1.2049	H	1	noname	0.2214
@<TRIPOS>BOND
1	1	6	1
2	2	5	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