@<TRIPOS>MOLECULE
90479115
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	-0.0501
3	Br3     3.9420     1.2038     0.0000	Br	1	noname	-0.0495
4	Br4     0.2335    -5.2195     0.0000	Br	1	noname	-0.0508
5	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0057
6	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0059
7	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0168
8	C4    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0064
9	C5    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0127
10	C6    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0362
11	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0070
12	C8    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0164
13	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0228
14	C10    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0464
15	C11     1.3900     2.4076     0.0000	C.2	1	noname	-0.0258
16	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0259
17	H1     1.0200    -2.4076     0.0000	H	1	noname	0.0641
18	H2    -1.7150     1.2038     0.0000	H	1	noname	0.0629
19	H3    -3.8000    -2.4076     0.0000	H	1	noname	0.0635
20	H4    -0.5100     3.2909     0.0000	H	1	noname	0.0623
21	H5     1.9000     3.2909     0.0000	H	1	noname	0.0634
22	H6    -2.5950    -4.4947     0.0000	H	1	noname	0.0634
@<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	10	1
8	6	8	2
9	6	9	1
10	7	11	1
11	8	13	1
12	9	12	2
13	9	17	1
14	10	14	2
15	10	18	1
16	11	15	2
17	12	16	1
18	13	16	2
19	13	19	1
20	14	15	1
21	14	20	1
22	15	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1