@<TRIPOS>MOLECULE
85666265
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0501
2	Br2    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0508
3	Br3     2.3185     4.0158     0.0000	Br	1	noname	-0.0507
4	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0125
5	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0315
6	C3     1.3900     0.0000     0.0000	C.2	1	noname	-0.0034
7	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0330
8	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0190
9	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0424
10	C7     2.0850     1.2038     0.0000	C.2	1	noname	-0.0056
11	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0291
12	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0185
13	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0486
14	C11     1.3900     2.4076     0.0000	C.2	1	noname	-0.0161
15	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0321
16	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0629
17	H2    -2.5950    -0.3204     0.0000	H	1	noname	0.0640
18	H3     1.0200    -2.4076     0.0000	H	1	noname	0.0629
19	H4     3.1050     1.2038     0.0000	H	1	noname	0.0646
20	H5    -0.5100     3.2909     0.0000	H	1	noname	0.0634
21	H6    -0.1850    -4.4947     0.0000	H	1	noname	0.0623
22	H7    -2.5950    -4.4947     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	6	1
2	2	12	1
3	3	14	1
4	4	5	1
5	4	6	2
6	4	7	1
7	5	8	2
8	5	9	1
9	6	10	1
10	7	11	2
11	7	16	1
12	8	12	1
13	8	17	1
14	9	13	2
15	9	18	1
16	10	14	2
17	10	19	1
18	11	14	1
19	11	20	1
20	12	15	2
21	13	15	1
22	13	21	1
23	15	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1