@<TRIPOS>MOLECULE
90478372
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0489
2	Br2     3.9420     1.2038     0.0000	Br	1	noname	-0.0495
3	Br3    -0.9285     4.0158     0.0000	Br	1	noname	-0.0507
4	Br4    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
5	Br5    -3.0135    -5.2195     0.0000	Br	1	noname	-0.0496
6	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0014
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0284
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0162
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0130
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0096
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0331
12	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0145
13	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0088
14	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0077
15	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0219
16	C11     1.3900     2.4076     0.0000	C.2	1	noname	-0.0025
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	0.0066
18	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0641
19	H2    -2.5950    -0.3204     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	0.0635
22	H5     1.9000     3.2909     0.0000	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	8	1
2	2	12	1
3	3	13	1
4	4	14	1
5	5	17	1
6	6	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	13	2
13	9	18	1
14	10	14	1
15	10	19	1
16	11	15	2
17	11	20	1
18	12	16	2
19	13	16	1
20	14	17	2
21	15	17	1
22	15	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1