@<TRIPOS>MOLECULE
DB02822
16 16 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.7756    -1.6732    -0.2596	Br	1	noname	-0.0508
2	C1     0.0161    -0.0066    -0.0492	C.2	1	noname	-0.0227
3	C2     1.3909     0.1336    -0.1988	C.2	1	noname	-0.0322
4	C3    -0.7661     1.1006     0.2578	C.2	1	noname	-0.0322
5	C4     1.9835     1.3810    -0.0413	C.2	1	noname	-0.0416
6	C5    -0.1735     2.3481     0.4152	C.2	1	noname	-0.0416
7	C6     1.2013     2.4883     0.2657	C.2	1	noname	-0.0410
8	C7     1.8237     3.7985     0.4311	C.3	1	noname	0.0683
9	O1     1.8586     4.4675    -0.8210	O.3	1	noname	-0.3915
10	H1     2.0043    -0.7347    -0.4395	H	1	noname	0.0634
11	H2    -1.8442     0.9906     0.3750	H	1	noname	0.0634
12	H3     3.0616     1.4910    -0.1585	H	1	noname	0.0626
13	H4    -0.7869     3.2163     0.6560	H	1	noname	0.0626
14	H5     1.1705     4.3879     1.0746	H	1	noname	0.0614
15	H6     2.8620     3.6296     0.7166	H	1	noname	0.0614
16	H7     1.8783     3.8198    -1.5293	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	1
2	2	3	2
3	2	4	1
4	3	5	1
5	4	6	2
6	5	7	2
7	6	7	1
8	7	8	1
9	8	9	1
10	3	10	1
11	4	11	1
12	5	12	1
13	6	13	1
14	8	14	1
15	8	15	1
16	9	16	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1