@<TRIPOS>MOLECULE
90478560
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	-0.0495
6	Br6     4.0843     1.1035    -0.0000	Br	1	noname	-0.0495
7	Br7    -4.7971    -2.7996    -0.0000	Br	1	noname	-0.0495
8	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0292
9	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	0.0209
10	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0279
11	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0279
12	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	0.0260
13	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	0.0029
14	C7     0.2249     2.5337     0.0000	C.2	1	noname	0.0183
15	C8     2.2311     1.2225    -0.0000	C.2	1	noname	0.0183
16	C9    -2.9435    -2.6882    -0.0000	C.2	1	noname	0.0100
17	C10    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0197
18	C11     1.6227     2.4860     0.0000	C.2	1	noname	0.0086
19	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0168
20	H1     2.1801     3.3402     0.0000	H	1	noname	0.0647
21	H2    -0.1766    -4.6234    -0.0000	H	1	noname	0.0635
22	H3    -2.6117    -4.7758     0.0000	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	10	1
2	2	11	1
3	3	12	1
4	4	13	1
5	5	14	1
6	6	15	1
7	7	16	1
8	8	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	9	13	2
13	10	15	1
14	11	14	2
15	12	16	2
16	13	17	1
17	14	18	1
18	15	18	2
19	16	19	1
20	17	19	2
21	17	21	1
22	18	20	1
23	19	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1