@<TRIPOS>MOLECULE
90479370
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0488
2	Br2    -2.5520     1.2038     0.0000	Br	1	noname	-0.0488
3	Br3    -0.9285     4.0158     0.0000	Br	1	noname	-0.0495
4	Br4     3.9420     1.2038     0.0000	Br	1	noname	-0.0495
5	Br5    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0508
6	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0268
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0301
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0221
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	0.0221
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0153
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0385
12	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0167
13	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0167
14	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0035
15	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0176
16	C11    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0476
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0286
18	H1    -2.5950    -0.3204     0.0000	H	1	noname	0.0640
19	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0629
20	H3     1.9000     3.2909     0.0000	H	1	noname	0.0647
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	9	1
3	3	12	1
4	4	13	1
5	5	15	1
6	6	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	13	1
12	9	12	2
13	10	15	1
14	10	18	1
15	11	16	2
16	11	19	1
17	12	14	1
18	13	14	2
19	14	20	1
20	15	17	2
21	16	17	1
22	16	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1