@<TRIPOS>MOLECULE
90478720
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    -0.9285     4.0158     0.0000	Br	1	noname	-0.0495
4	Br4    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
5	Br5     2.3185     4.0158     0.0000	Br	1	noname	-0.0495
6	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0030
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0057
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0019
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0043
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	0.0169
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0361
12	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0097
13	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0036
14	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0070
15	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0464
16	C11     1.3900     2.4076     0.0000	C.2	1	noname	0.0121
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0257
18	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0641
19	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0629
20	H3     3.1050     1.2038     0.0000	H	1	noname	0.0646
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	8	1
2	2	10	1
3	3	12	1
4	4	14	1
5	5	16	1
6	6	7	1
7	6	8	1
8	6	9	2
9	7	10	2
10	7	11	1
11	8	13	2
12	9	12	1
13	9	18	1
14	10	14	1
15	11	15	2
16	11	19	1
17	12	16	2
18	13	16	1
19	13	20	1
20	14	17	2
21	15	17	1
22	15	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1