@<TRIPOS>MOLECULE
DB04592
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3435    -1.5822     0.0000	Br	1	noname	-0.0561
2	C1     1.4300     0.0000     0.0000	C.2	1	noname	-0.0376
3	C2     2.0950     1.1518     0.0000	C.2	1	noname	-0.0609
4	C3     0.0000     0.0000     0.0000	C.3	1	noname	0.0015
5	C4    -0.5100     1.4425     0.0000	C.3	1	noname	0.0477
6	O1    -1.9300     1.4425     0.0000	O.3	1	noname	-0.3959
7	H1     3.1850     1.1518     0.0000	H	1	noname	0.0546
8	H2     1.5500     2.0958     0.0000	H	1	noname	0.0546
9	H3    -0.2931    -0.4595    -0.9440	H	1	noname	0.0344
10	H4    -0.2931    -0.4595     0.9440	H	1	noname	0.0344
11	H5    -0.2192     1.9034     0.9440	H	1	noname	0.0567
12	H6    -0.2192     1.9034    -0.9440	H	1	noname	0.0567
13	H7    -2.2500     1.4425     0.9051	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	4	5	1
5	5	6	1
6	3	7	1
7	3	8	1
8	4	9	1
9	4	10	1
10	5	11	1
11	5	12	1
12	6	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1