@<TRIPOS>MOLECULE
90478510
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	-0.0488
4	Br4     1.7311    -2.4157     0.0000	Br	1	noname	-0.0501
5	Br5    -0.6101     4.1924     0.0000	Br	1	noname	-0.0483
6	Br6     4.0843     1.1035    -0.0000	Br	1	noname	-0.0483
7	Br7     2.6375     4.0412     0.0000	Br	1	noname	-0.0482
8	Br8    -4.7971    -2.7996    -0.0000	Br	1	noname	-0.0495
9	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0322
10	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	0.0209
11	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0365
12	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0365
13	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	0.0261
14	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	0.0030
15	C7     0.2249     2.5337     0.0000	C.2	1	noname	0.0444
16	C8     2.2311     1.2225    -0.0000	C.2	1	noname	0.0444
17	C9     1.6227     2.4860     0.0000	C.2	1	noname	0.0463
18	C10    -2.9435    -2.6882    -0.0000	C.2	1	noname	0.0100
19	C11    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0197
20	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0167
21	H1    -0.1766    -4.6234    -0.0000	H	1	noname	0.0635
22	H2    -2.6117    -4.7758     0.0000	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	11	1
2	2	12	1
3	3	13	1
4	4	14	1
5	5	15	1
6	6	16	1
7	7	17	1
8	8	18	1
9	9	10	1
10	9	11	2
11	9	12	1
12	10	13	1
13	10	14	2
14	11	16	1
15	12	15	2
16	13	18	2
17	14	19	1
18	15	17	1
19	16	17	2
20	18	20	1
21	19	20	2
22	19	21	1
23	20	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1