@<TRIPOS>MOLECULE
90479587
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0501
2	Br2    -0.9285     4.0158     0.0000	Br	1	noname	-0.0495
3	Br3     2.3185     4.0158     0.0000	Br	1	noname	-0.0495
4	Br4    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0508
5	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0042
6	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0314
7	C3     1.3900     0.0000     0.0000	C.2	1	noname	-0.0010
8	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0071
9	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0185
10	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0419
11	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0089
12	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0028
13	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0095
14	C10    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0185
15	C11    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0485
16	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0316
17	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0641
18	H2    -2.5950    -0.3204     0.0000	H	1	noname	0.0640
19	H3     1.0200    -2.4076     0.0000	H	1	noname	0.0629
20	H4     3.1050     1.2038     0.0000	H	1	noname	0.0646
21	H5    -0.1850    -4.4947     0.0000	H	1	noname	0.0623
22	H6    -2.5950    -4.4947     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	7	1
2	2	11	1
3	3	13	1
4	4	14	1
5	5	6	1
6	5	7	1
7	5	8	2
8	6	9	2
9	6	10	1
10	7	12	2
11	8	11	1
12	8	17	1
13	9	14	1
14	9	18	1
15	10	15	2
16	10	19	1
17	11	13	2
18	12	13	1
19	12	20	1
20	14	16	2
21	15	16	1
22	15	21	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1