@<TRIPOS>MOLECULE
90478730
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	-0.0495
3	Br3     3.9420     1.2038     0.0000	Br	1	noname	-0.0495
4	Br4     2.3185     4.0158     0.0000	Br	1	noname	-0.0483
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	-0.0202
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0068
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	-0.0077
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0077
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	0.0143
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0384
12	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0161
13	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0161
14	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0316
15	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0063
16	C11    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0470
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0277
18	H1     1.9000    -0.8833     0.0000	H	1	noname	0.0641
19	H2    -1.7150     1.2038     0.0000	H	1	noname	0.0641
20	H3     1.0200    -2.4076     0.0000	H	1	noname	0.0629
21	H4    -0.1850    -4.4947     0.0000	H	1	noname	0.0623
22	H5    -2.5950    -4.4947     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	10	1
2	2	12	1
3	3	13	1
4	4	14	1
5	5	15	1
6	6	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	13	1
12	8	18	1
13	9	12	2
14	9	19	1
15	10	15	1
16	11	16	2
17	11	20	1
18	12	14	1
19	13	14	2
20	15	17	2
21	16	17	1
22	16	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1