@<TRIPOS>MOLECULE
90478739
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	-0.0500
3	Br3     1.5334    -3.3958    -0.0000	Br	1	noname	-0.0500
4	Br4     4.1021     1.5958    -0.0000	Br	1	noname	-0.0495
5	Br5    -0.9853     4.1142    -0.0000	Br	1	noname	-0.0507
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	0.0036
8	C2    -0.6792    -1.2268    -0.0000	C.2	1	noname	0.0141
9	C3     1.6023     0.2105    -0.0000	C.2	1	noname	0.0216
10	C4    -0.5704     1.2792     0.0000	C.2	1	noname	-0.0077
11	C5    -2.1534    -1.2392    -0.0000	C.2	1	noname	0.0059
12	C6    -0.1190    -2.5766     0.0000	C.2	1	noname	0.0059
13	C7     2.2485     1.4844    -0.0000	C.2	1	noname	0.0160
14	C8     0.0506     2.5730    -0.0000	C.2	1	noname	-0.0073
15	C9    -2.9261    -2.4263    -0.0000	C.2	1	noname	-0.0026
16	C10    -0.9199    -3.7375     0.0000	C.2	1	noname	-0.0026
17	C11     1.4634     2.6583     0.0000	C.2	1	noname	0.0023
18	C12    -2.3177    -3.6897     0.0000	C.2	1	noname	-0.0072
19	H1    -1.5897     1.2422     0.0000	H	1	noname	0.0641
20	H2    -3.9440    -2.3609    -0.0000	H	1	noname	0.0646
21	H3    -0.4613    -4.6486     0.0000	H	1	noname	0.0646
22	H4     1.9167     3.5720     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	14	1
6	6	18	1
7	7	8	1
8	7	9	1
9	7	10	2
10	8	11	2
11	8	12	1
12	9	13	2
13	10	14	1
14	10	19	1
15	11	15	1
16	12	16	2
17	13	17	1
18	14	17	2
19	15	18	2
20	15	20	1
21	16	18	1
22	16	21	1
23	17	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1