@<TRIPOS>MOLECULE
90479424
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -3.0135     0.4044     0.0000	Br	1	noname	-0.0489
2	Br2    -0.9285     4.0158     0.0000	Br	1	noname	-0.0507
3	Br3     3.9420     1.2038     0.0000	Br	1	noname	-0.0507
4	Br4    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
5	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0231
6	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0068
7	C3     1.3900     0.0000     0.0000	C.2	1	noname	-0.0162
8	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0162
9	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	0.0142
10	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0385
11	C7    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0102
12	C8     2.0850     1.2038     0.0000	C.2	1	noname	-0.0102
13	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0063
14	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0470
15	C11     1.3900     2.4076     0.0000	C.2	1	noname	-0.0060
16	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0278
17	H1     1.9000    -0.8833     0.0000	H	1	noname	0.0640
18	H2    -1.7150     1.2038     0.0000	H	1	noname	0.0640
19	H3     1.0200    -2.4076     0.0000	H	1	noname	0.0629
20	H4    -0.1850    -4.4947     0.0000	H	1	noname	0.0623
21	H5     1.9000     3.2909     0.0000	H	1	noname	0.0646
22	H6    -2.5950    -4.4947     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	9	1
2	2	11	1
3	3	12	1
4	4	13	1
5	5	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	12	1
11	7	17	1
12	8	11	2
13	8	18	1
14	9	13	1
15	10	14	2
16	10	19	1
17	11	15	1
18	12	15	2
19	13	16	2
20	14	16	1
21	14	20	1
22	15	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1