@<TRIPOS>MOLECULE
90479174
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	-0.0489
4	Br4    -4.7971    -2.7996    -0.0000	Br	1	noname	-0.0495
5	Br5     2.6375     4.0412     0.0000	Br	1	noname	-0.0507
6	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0140
7	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	-0.0046
8	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0054
9	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0054
10	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	0.0191
11	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	-0.0335
12	C7     2.2311     1.2225    -0.0000	C.2	1	noname	-0.0027
13	C8     0.2249     2.5337     0.0000	C.2	1	noname	-0.0027
14	C9    -2.9435    -2.6882    -0.0000	C.2	1	noname	0.0077
15	C10    -0.7456    -3.7768    -0.0000	C.2	1	noname	-0.0456
16	C11     1.6227     2.4860     0.0000	C.2	1	noname	-0.0076
17	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	-0.0234
18	H1     0.8947    -2.4460     0.0000	H	1	noname	0.0629
19	H2     3.2490     1.1572    -0.0000	H	1	noname	0.0646
20	H3    -0.2337     3.4448     0.0000	H	1	noname	0.0646
21	H4    -0.1766    -4.6234    -0.0000	H	1	noname	0.0623
22	H5    -2.6117    -4.7758     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	8	1
2	2	9	1
3	3	10	1
4	4	14	1
5	5	16	1
6	6	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	13	2
13	10	14	1
14	11	15	2
15	11	18	1
16	12	16	2
17	12	19	1
18	13	16	1
19	13	20	1
20	14	17	2
21	15	17	1
22	15	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1