@<TRIPOS>MOLECULE
90478698
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     2.3185    -1.6082     0.0000	Br	1	noname	-0.0488
2	Br2    -2.5520     1.2038     0.0000	Br	1	noname	-0.0488
3	Br3    -0.9285     4.0158     0.0000	Br	1	noname	-0.0483
4	Br4     3.9420     1.2038     0.0000	Br	1	noname	-0.0483
5	Br5     2.3185     4.0158     0.0000	Br	1	noname	-0.0482
6	Br6     0.2335    -5.2195     0.0000	Br	1	noname	-0.0507
7	Br7    -4.6370    -2.4076     0.0000	Br	1	noname	-0.0507
8	C1     0.0000     0.0000     0.0000	C.2	1	noname	0.0299
9	C2    -0.6950    -1.2038     0.0000	C.2	1	noname	-0.0218
10	C3     1.3900     0.0000     0.0000	C.2	1	noname	0.0312
11	C4    -0.6950     1.2038     0.0000	C.2	1	noname	0.0312
12	C5    -2.0850    -1.2038     0.0000	C.2	1	noname	-0.0127
13	C6    -0.0000    -2.4076     0.0000	C.2	1	noname	-0.0127
14	C7    -0.0000     2.4076     0.0000	C.2	1	noname	0.0428
15	C8     2.0850     1.2038     0.0000	C.2	1	noname	0.0428
16	C9     1.3900     2.4076     0.0000	C.2	1	noname	0.0415
17	C10    -0.6950    -3.6113     0.0000	C.2	1	noname	-0.0093
18	C11    -2.7800    -2.4076     0.0000	C.2	1	noname	-0.0093
19	C12    -2.0850    -3.6113     0.0000	C.2	1	noname	-0.0028
20	H1    -2.5950    -0.3204     0.0000	H	1	noname	0.0640
21	H2     1.0200    -2.4076     0.0000	H	1	noname	0.0640
22	H3    -2.5950    -4.4947     0.0000	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	10	1
2	2	11	1
3	3	14	1
4	4	15	1
5	5	16	1
6	6	17	1
7	7	18	1
8	8	9	1
9	8	10	2
10	8	11	1
11	9	12	2
12	9	13	1
13	10	15	1
14	11	14	2
15	12	18	1
16	12	20	1
17	13	17	2
18	13	21	1
19	14	16	1
20	15	16	2
21	17	19	1
22	18	19	2
23	19	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1