@<TRIPOS>MOLECULE
90478487
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	-0.0500
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     4.0843     1.1035    -0.0000	Br	1	noname	-0.0483
6	Br6     2.6375     4.0412     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	0.0237
9	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	0.0208
10	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0340
11	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0108
12	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	0.0256
13	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	0.0025
14	C7     2.2311     1.2225    -0.0000	C.2	1	noname	0.0359
15	C8     0.2249     2.5337     0.0000	C.2	1	noname	0.0066
16	C9     1.6227     2.4860     0.0000	C.2	1	noname	0.0207
17	C10    -2.9435    -2.6882    -0.0000	C.2	1	noname	0.0099
18	C11    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0198
19	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0172
20	H1    -0.2337     3.4448     0.0000	H	1	noname	0.0646
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	16	1
7	7	17	1
8	8	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	9	13	2
13	10	14	1
14	11	15	2
15	12	17	2
16	13	18	1
17	14	16	2
18	15	16	1
19	15	20	1
20	17	19	1
21	18	19	2
22	18	21	1
23	19	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1