@<TRIPOS>MOLECULE
90478650
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     2.3185     4.0158     0.0000	Br	1	noname	-0.0495
5	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0030
6	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0142
7	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0247
8	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0283
9	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0086
10	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0384
11	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0328
12	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0199
13	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0118
14	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0310
15	C11    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0547
16	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0517
17	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0629
18	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0629
19	H3    -0.5100     3.2909     0.0000	H	1	noname	0.0635
20	H4    -3.8000    -2.4076     0.0000	H	1	noname	0.0634
21	H5    -0.1850    -4.4947     0.0000	H	1	noname	0.0622
22	H6    -2.5950    -4.4947     0.0000	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	7	1
2	2	9	1
3	3	11	1
4	4	13	1
5	5	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	8	12	2
12	8	17	1
13	9	14	2
14	10	15	1
15	10	18	1
16	11	13	2
17	12	13	1
18	12	19	1
19	14	16	1
20	14	20	1
21	15	16	2
22	15	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1