@<TRIPOS>MOLECULE
90479030
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.7639    -1.3032     0.0000	Br	1	noname	-0.0500
2	Br2    -2.2284     2.1920    -0.0000	Br	1	noname	-0.0500
3	Br3    -3.7874    -0.3291     0.0000	Br	1	noname	-0.0501
4	Br4     2.6375     4.0412     0.0000	Br	1	noname	-0.0507
5	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0139
6	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	-0.0131
7	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0049
8	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0049
9	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	-0.0064
10	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	-0.0359
11	C7     2.2311     1.2225    -0.0000	C.2	1	noname	-0.0028
12	C8     0.2249     2.5337     0.0000	C.2	1	noname	-0.0028
13	C9     1.6227     2.4860     0.0000	C.2	1	noname	-0.0081
14	C10    -2.9435    -2.6882    -0.0000	C.2	1	noname	-0.0303
15	C11    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0540
16	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0495
17	H1     0.8947    -2.4460     0.0000	H	1	noname	0.0629
18	H2     3.2490     1.1572    -0.0000	H	1	noname	0.0646
19	H3    -0.2337     3.4448     0.0000	H	1	noname	0.0646
20	H4    -3.9616    -2.7494    -0.0000	H	1	noname	0.0634
21	H5    -0.1766    -4.6234    -0.0000	H	1	noname	0.0622
22	H6    -2.6117    -4.7758     0.0000	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	7	1
2	2	8	1
3	3	9	1
4	4	13	1
5	5	6	1
6	5	7	2
7	5	8	1
8	6	9	1
9	6	10	2
10	7	11	1
11	8	12	2
12	9	14	2
13	10	15	1
14	10	17	1
15	11	13	2
16	11	18	1
17	12	13	1
18	12	19	1
19	14	16	1
20	14	20	1
21	15	16	2
22	15	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1