@<TRIPOS>MOLECULE
90478819
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    -0.6101     4.1924     0.0000	Br	1	noname	-0.0495
5	Br5     4.0843     1.1035    -0.0000	Br	1	noname	-0.0495
6	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0279
7	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	-0.0129
8	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0245
9	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0245
10	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	-0.0055
11	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	-0.0350
12	C7     0.2249     2.5337     0.0000	C.2	1	noname	0.0174
13	C8     2.2311     1.2225    -0.0000	C.2	1	noname	0.0174
14	C9     1.6227     2.4860     0.0000	C.2	1	noname	0.0056
15	C10    -2.9435    -2.6882    -0.0000	C.2	1	noname	-0.0301
16	C11    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0538
17	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0485
18	H1     0.8947    -2.4460     0.0000	H	1	noname	0.0629
19	H2     2.1801     3.3402     0.0000	H	1	noname	0.0647
20	H3    -3.9616    -2.7494    -0.0000	H	1	noname	0.0634
21	H4    -0.1766    -4.6234    -0.0000	H	1	noname	0.0622
22	H5    -2.6117    -4.7758     0.0000	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	8	1
2	2	9	1
3	3	10	1
4	4	12	1
5	5	13	1
6	6	7	1
7	6	8	2
8	6	9	1
9	7	10	1
10	7	11	2
11	8	13	1
12	9	12	2
13	10	15	2
14	11	16	1
15	11	18	1
16	12	14	1
17	13	14	2
18	14	19	1
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