@<TRIPOS>MOLECULE
90479048
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0488
2	Br2     3.9420     1.2038     0.0000	Br	1	noname	-0.0483
3	Br3    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
4	Br4     2.3185     4.0158     0.0000	Br	1	noname	-0.0495
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	-0.0040
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0285
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0223
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0305
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0100
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0335
12	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0321
13	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0206
14	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0076
15	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0220
16	C11     1.3900     2.4076     0.0000	C.2	1	noname	0.0097
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	0.0063
18	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0629
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    -0.5100     3.2909     0.0000	H	1	noname	0.0635
22	H5    -0.1850    -4.4947     0.0000	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	8	1
2	2	12	1
3	3	14	1
4	4	16	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	13	21	1
21	14	17	2
22	15	17	1
23	15	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1