@<TRIPOS>MOLECULE
90478475
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.7639    -1.3032     0.0000	Br	1	noname	-0.0488
2	Br2    -2.2284     2.1920    -0.0000	Br	1	noname	-0.0488
3	Br3    -3.7874    -0.3291     0.0000	Br	1	noname	-0.0501
4	Br4     1.7311    -2.4157     0.0000	Br	1	noname	-0.0501
5	Br5    -0.6101     4.1924     0.0000	Br	1	noname	-0.0495
6	Br6     4.0843     1.1035    -0.0000	Br	1	noname	-0.0495
7	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0291
8	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	0.0124
9	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0274
10	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0274
11	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	0.0005
12	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	0.0005
13	C7     0.2249     2.5337     0.0000	C.2	1	noname	0.0182
14	C8     2.2311     1.2225    -0.0000	C.2	1	noname	0.0182
15	C9     1.6227     2.4860     0.0000	C.2	1	noname	0.0081
16	C10    -2.9435    -2.6882    -0.0000	C.2	1	noname	-0.0280
17	C11    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0280
18	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0428
19	H1     2.1801     3.3402     0.0000	H	1	noname	0.0647
20	H2    -3.9616    -2.7494    -0.0000	H	1	noname	0.0634
21	H3    -0.1766    -4.6234    -0.0000	H	1	noname	0.0634
22	H4    -2.6117    -4.7758     0.0000	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	9	1
2	2	10	1
3	3	11	1
4	4	12	1
5	5	13	1
6	6	14	1
7	7	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	14	1
13	10	13	2
14	11	16	1
15	12	17	2
16	13	15	1
17	14	15	2
18	15	19	1
19	16	18	2
20	16	20	1
21	17	18	1
22	17	21	1
23	18	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1