@<TRIPOS>MOLECULE
90478692
22 23 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     3.0924    -0.8746     0.0000	Br	1	noname	-0.0489
2	Br2    -3.4589     0.0994     0.0000	Br	1	noname	-0.0501
3	Br3     1.5334    -3.3958    -0.0000	Br	1	noname	-0.0501
4	Br4     4.1021     1.5958    -0.0000	Br	1	noname	-0.0495
5	Br5    -0.9853     4.1142    -0.0000	Br	1	noname	-0.0507
6	C1     0.1461     0.0278     0.0000	C.2	1	noname	0.0036
7	C2    -0.6792    -1.2268    -0.0000	C.2	1	noname	0.0112
8	C3     1.6023     0.2105    -0.0000	C.2	1	noname	0.0215
9	C4    -0.5704     1.2792     0.0000	C.2	1	noname	-0.0079
10	C5    -2.1534    -1.2392    -0.0000	C.2	1	noname	-0.0024
11	C6    -0.1190    -2.5766     0.0000	C.2	1	noname	-0.0024
12	C7     2.2485     1.4844    -0.0000	C.2	1	noname	0.0160
13	C8     0.0506     2.5730    -0.0000	C.2	1	noname	-0.0073
14	C9    -2.9261    -2.4263    -0.0000	C.2	1	noname	-0.0288
15	C10    -0.9199    -3.7375     0.0000	C.2	1	noname	-0.0288
16	C11     1.4634     2.6583     0.0000	C.2	1	noname	0.0022
17	C12    -2.3177    -3.6897     0.0000	C.2	1	noname	-0.0455
18	H1    -1.5897     1.2422     0.0000	H	1	noname	0.0641
19	H2     1.9167     3.5720     0.0000	H	1	noname	0.0646
20	H3    -3.9440    -2.3609    -0.0000	H	1	noname	0.0634
21	H4    -0.4613    -4.6486     0.0000	H	1	noname	0.0634
22	H5    -2.8751    -4.5440     0.0000	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	8	1
2	2	10	1
3	3	11	1
4	4	12	1
5	5	13	1
6	6	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	9	13	2
13	9	18	1
14	10	14	1
15	11	15	2
16	12	16	2
17	13	16	1
18	14	17	2
19	14	20	1
20	15	17	1
21	15	21	1
22	16	19	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1