@<TRIPOS>MOLECULE
90478909
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0489
2	Br2     3.9420     1.2038     0.0000	Br	1	noname	-0.0495
3	Br3    -3.0135    -5.2195     0.0000	Br	1	noname	-0.0508
4	C1     0.0000     0.0000     0.0000	C.2	1	noname	-0.0070
5	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0369
6	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0133
7	C4    -0.6950     1.2038     0.0000	C.2	1	noname	-0.0393
8	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0361
9	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0361
10	C7     2.0850     1.2038     0.0000	C.2	1	noname	0.0061
11	C8    -0.0000     2.4076     0.0000	C.2	1	noname	-0.0472
12	C9    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0304
13	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0304
14	C11     1.3900     2.4076     0.0000	C.2	1	noname	-0.0286
15	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0194
16	H1    -1.7150     1.2038     0.0000	H	1	noname	0.0629
17	H2    -2.5950    -0.3204     0.0000	H	1	noname	0.0629
18	H3     1.0200    -2.4076     0.0000	H	1	noname	0.0629
19	H4    -0.5100     3.2909     0.0000	H	1	noname	0.0623
20	H5    -3.8000    -2.4076     0.0000	H	1	noname	0.0634
21	H6    -0.1850    -4.4947     0.0000	H	1	noname	0.0634
22	H7     1.9000     3.2909     0.0000	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	6	1
2	2	10	1
3	3	15	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	11	14	1
18	11	19	1
19	12	15	2
20	12	20	1
21	13	15	1
22	13	21	1
23	14	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1