@<TRIPOS>MOLECULE
90478676
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	-0.0500
3	Br3     3.9420     1.2038     0.0000	Br	1	noname	-0.0483
4	Br4     0.2335    -5.2195     0.0000	Br	1	noname	-0.0495
5	Br5    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0495
6	Br6     2.3185     4.0158     0.0000	Br	1	noname	-0.0495
7	Br7    -3.0135    -5.2195     0.0000	Br	1	noname	-0.0483
8	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0214
9	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0189
10	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0287
11	C4    -0.6950     1.2038     0.0000	C.2	1	noname	0.0056
12	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0046
13	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0046
14	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0343
15	C8    -0.0000     2.4076     0.0000	C.2	1	noname	0.0051
16	C9    -0.6950    -3.6113     0.0000	C.2	1	noname	0.0169
17	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	0.0169
18	C11     1.3900     2.4076     0.0000	C.2	1	noname	0.0161
19	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	0.0342
20	H1    -2.5950    -0.3204     0.0000	H	1	noname	0.0641
21	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0641
22	H3    -0.5100     3.2909     0.0000	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	10	1
2	2	11	1
3	3	14	1
4	4	16	1
5	5	17	1
6	6	18	1
7	7	19	1
8	8	9	1
9	8	10	2
10	8	11	1
11	9	12	2
12	9	13	1
13	10	14	1
14	11	15	2
15	12	17	1
16	12	20	1
17	13	16	2
18	13	21	1
19	14	18	2
20	15	18	1
21	15	22	1
22	16	19	1
23	17	19	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1