@<TRIPOS>MOLECULE
90479074
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	-0.0501
4	Br4     4.0843     1.1035    -0.0000	Br	1	noname	-0.0483
5	Br5     0.2903    -5.3180    -0.0000	Br	1	noname	-0.0495
6	Br6     2.6375     4.0412     0.0000	Br	1	noname	-0.0495
7	Br7    -2.9837    -5.5256     0.0000	Br	1	noname	-0.0495
8	C1    -0.0158     0.0230    -0.0000	C.2	1	noname	0.0225
9	C2    -0.8411    -1.2315     0.0000	C.2	1	noname	-0.0018
10	C3     1.4584     0.0354    -0.0000	C.2	1	noname	0.0311
11	C4    -0.5760     1.3728     0.0000	C.2	1	noname	0.0080
12	C5    -2.2973    -1.4142    -0.0000	C.2	1	noname	0.0049
13	C6    -0.1246    -2.4830     0.0000	C.2	1	noname	-0.0012
14	C7     2.2311     1.2225    -0.0000	C.2	1	noname	0.0351
15	C8     0.2249     2.5337     0.0000	C.2	1	noname	0.0058
16	C9    -0.7456    -3.7768    -0.0000	C.2	1	noname	0.0106
17	C10    -2.9435    -2.6882    -0.0000	C.2	1	noname	0.0044
18	C11     1.6227     2.4860     0.0000	C.2	1	noname	0.0182
19	C12    -2.1584    -3.8620     0.0000	C.2	1	noname	0.0148
20	H1     0.8947    -2.4460     0.0000	H	1	noname	0.0641
21	H2    -0.2337     3.4448     0.0000	H	1	noname	0.0646
22	H3    -3.9616    -2.7494    -0.0000	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	10	1
2	2	11	1
3	3	12	1
4	4	14	1
5	5	16	1
6	6	18	1
7	7	19	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	16	1
17	13	20	1
18	14	18	2
19	15	18	1
20	15	21	1
21	16	19	2
22	17	19	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1