@<TRIPOS>MOLECULE
76966968
16 15 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.4738    -0.0574    -0.1277	Br	1	noname	-0.0438
2	O1    -0.3313    -2.2198    -1.4415	O.3	1	noname	-0.3917
3	O2    -0.6249     1.7001     0.8780	O.3	1	noname	-0.2363
4	O3    -0.6110     1.6729    -1.1067	O.2	1	noname	-0.2703
5	N1    -0.9860     1.0905    -0.1700	N.2	1	noname	-0.2495
6	C1    -0.4491    -0.1753    -0.1719	C.3	1	noname	0.1743
7	C2    -0.8858    -0.9126    -1.4394	C.3	1	noname	0.0883
8	C3    -0.9416    -0.9401     1.0583	C.3	1	noname	-0.0170
9	H1    -1.9735    -0.9793    -1.4645	H	1	noname	0.0609
10	H2    -0.5349    -0.3677    -2.3159	H	1	noname	0.0609
11	H3    -2.0292    -1.0068     1.0333	H	1	noname	0.0276
12	H4    -0.6304    -0.4148     1.9613	H	1	noname	0.0276
13	H5    -0.5159    -1.9436     1.0567	H	1	noname	0.0276
14	H6    -0.6110    -2.6921    -2.2533	H	1	noname	0.2102
15	H7    -1.0076     2.6023     0.8794	H	1	noname	0.2592
16	H8    -1.9190     1.0333    -0.1914	H	1	noname	0.2720
@<TRIPOS>BOND
1	1	6	1
2	2	7	1
3	2	14	1
4	3	5	1
5	3	15	1
6	4	5	2
7	6	5	1
8	5	16	1
9	6	7	1
10	6	8	1
11	7	9	1
12	7	10	1
13	8	11	1
14	8	12	1
15	8	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1