@<TRIPOS>MOLECULE
DB01854
15 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -0.9678    -1.6588     0.0000	Br	1	noname	-0.0491
2	C1    -0.0264    -0.0581    -0.0000	C.2	1	noname	0.0259
3	C2     1.4087    -0.0455    -0.0000	C.2	1	noname	0.0360
4	C3    -0.7134     1.2032    -0.0000	C.2	1	noname	0.0254
5	N1     2.0683     1.1743     0.0000	N.2	1	noname	-0.2327
6	C4    -0.0073     2.4526     0.0000	C.2	1	noname	0.0307
7	C5     1.4243     2.4078     0.0000	C.2	1	noname	0.0393
8	C6    -0.6889     3.6640     0.0000	C.2	1	noname	0.0180
9	O1    -0.0520     4.7396     0.0000	O.2	1	noname	-0.2957
10	N2    -2.0288     3.6788    -0.0000	N.3	1	noname	-0.0867
11	H1     1.9978    -0.9626    -0.0000	H	1	noname	0.0851
12	H2    -1.8034     1.2123    -0.0000	H	1	noname	0.0643
13	H3     2.0263     3.3165     0.0000	H	1	noname	0.0847
14	H4    -2.5241     4.5590    -0.0000	H	1	noname	0.1274
15	H5    -2.5435     2.8098    -0.0000	H	1	noname	0.1274
@<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	8	1
8	6	7	1
9	8	9	2
10	8	10	1
11	3	11	1
12	4	12	1
13	7	13	1
14	10	14	1
15	10	15	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1