@<TRIPOS>MOLECULE
55212072
9 8 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -1.7607     2.0037    -0.4740	Br	1	noname	0.0165
2	O1     0.6178     0.2004    -0.3979	O.2	1	noname	-0.2914
3	N1    -1.3723     0.5782     0.5664	N.3	1	noname	-0.0346
4	C1    -0.4246    -1.6544     0.5983	C.3	1	noname	0.0103
5	C2    -0.3678    -0.2426     0.2304	C.2	1	noname	0.0569
6	H1    -0.3901    -2.2664    -0.3031	H	1	noname	0.0325
7	H2    -1.3513    -1.8526     1.1368	H	1	noname	0.0325
8	H3     0.4253    -1.8982     1.2357	H	1	noname	0.0325
9	H4    -1.8910     0.4071     1.3680	H	1	noname	0.1449
@<TRIPOS>BOND
1	1	3	1
2	2	5	2
3	3	5	1
4	3	9	1
5	4	5	1
6	4	6	1
7	4	7	1
8	4	8	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1