@<TRIPOS>MOLECULE
90478548
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0489
2	Br2    -3.0135     0.4044     0.0000	Br	1	noname	-0.0489
3	Br3     3.9420     1.2038     0.0000	Br	1	noname	-0.0495
4	Br4    -0.9285     4.0158     0.0000	Br	1	noname	-0.0507
5	Br5    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
6	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0025
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0056
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0191
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0103
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	0.0172
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0356
12	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0153
13	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0080
14	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0071
15	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0463
16	C11     1.3900     2.4076     0.0000	C.2	1	noname	0.0000
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0253
18	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0641
19	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0629
20	H3    -0.1850    -4.4947     0.0000	H	1	noname	0.0623
21	H4     1.9000     3.2909     0.0000	H	1	noname	0.0646
22	H5    -2.5950    -4.4947     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	8	1
2	2	10	1
3	3	12	1
4	4	13	1
5	5	14	1
6	6	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	13	2
13	9	18	1
14	10	14	1
15	11	15	2
16	11	19	1
17	12	16	2
18	13	16	1
19	14	17	2
20	15	17	1
21	15	20	1
22	16	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1