@<TRIPOS>MOLECULE
90479248
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0488
2	Br2    -3.0135     0.4044     0.0000	Br	1	noname	-0.0501
3	Br3     3.9420     1.2038     0.0000	Br	1	noname	-0.0483
4	Br4    -0.9285     4.0158     0.0000	Br	1	noname	-0.0495
5	Br5     2.3185     4.0158     0.0000	Br	1	noname	-0.0483
6	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0054
7	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0140
8	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0271
9	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0023
10	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0082
11	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0379
12	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0412
13	C8    -0.0000     2.4076     0.0000	C.2	1	noname	0.0182
14	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0372
15	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0309
16	C11    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0546
17	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0512
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    -3.8000    -2.4076     0.0000	H	1	noname	0.0634
21	H4    -0.1850    -4.4947     0.0000	H	1	noname	0.0622
22	H5    -2.5950    -4.4947     0.0000	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	8	1
2	2	10	1
3	3	12	1
4	4	13	1
5	5	14	1
6	6	7	1
7	6	8	1
8	6	9	2
9	7	10	1
10	7	11	2
11	8	12	2
12	9	13	1
13	9	18	1
14	10	15	2
15	11	16	1
16	11	19	1
17	12	14	1
18	13	14	2
19	15	17	1
20	15	20	1
21	16	17	2
22	16	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1