@<TRIPOS>MOLECULE
DB02168
13 14 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.3994    -2.8467    -0.0852	Br	1	noname	-0.0262
2	C1    -0.9178    -1.0665     0.0185	C.2	1	noname	0.0945
3	N1    -2.2356    -0.7084     0.1116	N.2	1	noname	-0.2178
4	C2     0.0318    -0.0161     0.0050	C.2	1	noname	0.1269
5	C3    -2.6785     0.5929     0.2097	C.2	1	noname	-0.0420
6	N2     1.3711    -0.0162    -0.0116	N.2	1	noname	-0.1709
7	C4    -0.4203     1.3030     0.0666	C.2	1	noname	0.1330
8	N3    -1.7548     1.6072     0.1758	N.3	1	noname	0.0040
9	C5     1.7414     1.2833    -0.0141	C.2	1	noname	0.0798
10	N4     0.6642     2.1006     0.0061	N.2	1	noname	-0.1629
11	H1    -3.7405     0.8159     0.3123	H	1	noname	0.1014
12	H2    -2.0546     2.5701     0.2308	H	1	noname	0.1552
13	H3     2.7754     1.6279    -0.0304	H	1	noname	0.1062
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	2	4	2
4	3	5	2
5	4	6	1
6	4	7	1
7	5	8	1
8	6	9	2
9	7	10	2
10	7	8	1
11	9	10	1
12	5	11	1
13	8	12	1
14	9	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1