@<TRIPOS>MOLECULE
90478968
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    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
5	Br5     0.2335    -5.2195     0.0000	Br	1	noname	-0.0507
6	Br6     2.3185     4.0158     0.0000	Br	1	noname	-0.0483
7	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0201
8	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	0.0015
9	C3     1.3900     0.0000     0.0000	C.2	1	noname	-0.0072
10	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0072
11	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	0.0167
12	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0125
13	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0161
14	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0161
15	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0146
16	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0087
17	C11     1.3900     2.4076     0.0000	C.2	1	noname	0.0321
18	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0020
19	H1     1.9000    -0.8833     0.0000	H	1	noname	0.0641
20	H2    -1.7150     1.2038     0.0000	H	1	noname	0.0641
21	H3     1.0200    -2.4076     0.0000	H	1	noname	0.0641
22	H4    -2.5950    -4.4947     0.0000	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	11	1
2	2	13	1
3	3	14	1
4	4	15	1
5	5	16	1
6	6	17	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	9	19	1
14	10	13	2
15	10	20	1
16	11	15	1
17	12	16	2
18	12	21	1
19	13	17	1
20	14	17	2
21	15	18	2
22	16	18	1
23	18	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1