@<TRIPOS>MOLECULE
90478384
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0501
2	Br2    -3.0135     0.4044     0.0000	Br	1	noname	-0.0489
3	Br3    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
4	Br4     2.3185     4.0158     0.0000	Br	1	noname	-0.0507
5	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0114
6	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0058
7	C3     1.3900     0.0000     0.0000	C.2	1	noname	-0.0005
8	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0302
9	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	0.0164
10	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0365
11	C7     2.0850     1.2038     0.0000	C.2	1	noname	-0.0048
12	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0283
13	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0069
14	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0464
15	C11     1.3900     2.4076     0.0000	C.2	1	noname	-0.0135
16	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0261
17	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0629
18	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0629
19	H3     3.1050     1.2038     0.0000	H	1	noname	0.0646
20	H4    -0.5100     3.2909     0.0000	H	1	noname	0.0634
21	H5    -0.1850    -4.4947     0.0000	H	1	noname	0.0623
22	H6    -2.5950    -4.4947     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	7	1
2	2	9	1
3	3	13	1
4	4	15	1
5	5	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	8	17	1
13	9	13	1
14	10	14	2
15	10	18	1
16	11	15	2
17	11	19	1
18	12	15	1
19	12	20	1
20	13	16	2
21	14	16	1
22	14	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1