@<TRIPOS>MOLECULE
90478546
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.0924    -0.8746     0.0000	Br	1	noname	-0.0488
2	Br2    -3.4589     0.0994     0.0000	Br	1	noname	-0.0500
3	Br3     1.5334    -3.3958    -0.0000	Br	1	noname	-0.0500
4	Br4     4.1021     1.5958    -0.0000	Br	1	noname	-0.0483
5	Br5     2.2887     4.3218     0.0000	Br	1	noname	-0.0495
6	Br6    -3.3325    -5.2450     0.0000	Br	1	noname	-0.0507
7	C1     0.1461     0.0278     0.0000	C.2	1	noname	-0.0018
8	C2    -0.6792    -1.2268    -0.0000	C.2	1	noname	0.0140
9	C3     1.6023     0.2105    -0.0000	C.2	1	noname	0.0276
10	C4    -0.5704     1.2792     0.0000	C.2	1	noname	-0.0252
11	C5    -2.1534    -1.2392    -0.0000	C.2	1	noname	0.0055
12	C6    -0.1190    -2.5766     0.0000	C.2	1	noname	0.0055
13	C7     2.2485     1.4844    -0.0000	C.2	1	noname	0.0336
14	C8     0.0506     2.5730    -0.0000	C.2	1	noname	-0.0191
15	C9    -2.9261    -2.4263    -0.0000	C.2	1	noname	-0.0027
16	C10    -0.9199    -3.7375     0.0000	C.2	1	noname	-0.0027
17	C11     1.4634     2.6583     0.0000	C.2	1	noname	0.0145
18	C12    -2.3177    -3.6897     0.0000	C.2	1	noname	-0.0075
19	H1    -1.5897     1.2422     0.0000	H	1	noname	0.0629
20	H2    -0.5184     3.4196    -0.0000	H	1	noname	0.0635
21	H3    -3.9440    -2.3609    -0.0000	H	1	noname	0.0646
22	H4    -0.4613    -4.6486     0.0000	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	9	1
2	2	11	1
3	3	12	1
4	4	13	1
5	5	17	1
6	6	18	1
7	7	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	13	1
13	10	14	2
14	10	19	1
15	11	15	1
16	12	16	2
17	13	17	2
18	14	17	1
19	14	20	1
20	15	18	2
21	15	21	1
22	16	18	1
23	16	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1