@<TRIPOS>MOLECULE
90479059
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     0.2335    -5.2195     0.0000	Br	1	noname	-0.0507
4	Br4    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0507
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	-0.0039
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0231
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0227
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0301
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0161
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0161
12	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0322
13	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0205
14	C9    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0102
15	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0102
16	C11     1.3900     2.4076     0.0000	C.2	1	noname	0.0101
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0059
18	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0629
19	H2    -2.5950    -0.3204     0.0000	H	1	noname	0.0640
20	H3     1.0200    -2.4076     0.0000	H	1	noname	0.0640
21	H4    -0.5100     3.2909     0.0000	H	1	noname	0.0635
22	H5    -2.5950    -4.4947     0.0000	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	8	1
2	2	12	1
3	3	14	1
4	4	15	1
5	5	16	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	15	1
15	10	19	1
16	11	14	2
17	11	20	1
18	12	16	2
19	13	16	1
20	13	21	1
21	14	17	1
22	15	17	2
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1