@<TRIPOS>MOLECULE
90478966
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	Br6    -2.9837    -5.5256     0.0000	Br	1	noname	-0.0507
7	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0279
8	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	-0.0101
9	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0246
10	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0246
11	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	0.0028
12	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	-0.0267
13	C7     0.2249     2.5337     0.0000	C.2	1	noname	0.0174
14	C8     2.2311     1.2225    -0.0000	C.2	1	noname	0.0174
15	C9     1.6227     2.4860     0.0000	C.2	1	noname	0.0057
16	C10    -2.9435    -2.6882    -0.0000	C.2	1	noname	-0.0040
17	C11    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0274
18	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0104
19	H1     0.8947    -2.4460     0.0000	H	1	noname	0.0629
20	H2     2.1801     3.3402     0.0000	H	1	noname	0.0647
21	H3    -3.9616    -2.7494    -0.0000	H	1	noname	0.0646
22	H4    -0.1766    -4.6234    -0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	9	1
2	2	10	1
3	3	11	1
4	4	13	1
5	5	14	1
6	6	18	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	12	19	1
17	13	15	1
18	14	15	2
19	15	20	1
20	16	18	2
21	16	21	1
22	17	18	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1