@<TRIPOS>MOLECULE
90479027
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	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0267
6	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0384
7	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0216
8	C4    -0.6950     1.2038     0.0000	C.2	1	noname	0.0216
9	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0410
10	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0410
11	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0166
12	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0166
13	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0031
14	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0559
15	C11    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0559
16	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0544
17	H1    -2.5950    -0.3204     0.0000	H	1	noname	0.0629
18	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0629
19	H3     1.9000     3.2909     0.0000	H	1	noname	0.0647
20	H4    -3.8000    -2.4076     0.0000	H	1	noname	0.0622
21	H5    -0.1850    -4.4947     0.0000	H	1	noname	0.0622
22	H6    -2.5950    -4.4947     0.0000	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	1
2	2	8	1
3	3	11	1
4	4	12	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	8	11	2
12	9	14	1
13	9	17	1
14	10	15	2
15	10	18	1
16	11	13	1
17	12	13	2
18	13	19	1
19	14	16	2
20	14	20	1
21	15	16	1
22	15	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1