@<TRIPOS>MOLECULE
90478969
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0488
2	Br2    -2.5520     1.2038     0.0000	Br	1	noname	-0.0488
3	Br3    -0.9285     4.0158     0.0000	Br	1	noname	-0.0495
4	Br4     3.9420     1.2038     0.0000	Br	1	noname	-0.0495
5	Br5    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
6	Br6    -3.0135    -5.2195     0.0000	Br	1	noname	-0.0496
7	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0268
8	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0272
9	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0222
10	C4    -0.6950     1.2038     0.0000	C.2	1	noname	0.0222
11	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0067
12	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0301
13	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0167
14	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0167
15	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0036
16	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0085
17	C11    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0211
18	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	0.0091
19	H1    -2.5950    -0.3204     0.0000	H	1	noname	0.0641
20	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0629
21	H3     1.9000     3.2909     0.0000	H	1	noname	0.0647
22	H4    -0.1850    -4.4947     0.0000	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	9	1
2	2	10	1
3	3	13	1
4	4	14	1
5	5	16	1
6	6	18	1
7	7	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	14	1
13	10	13	2
14	11	16	1
15	11	19	1
16	12	17	2
17	12	20	1
18	13	15	1
19	14	15	2
20	15	21	1
21	16	18	2
22	17	18	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1