@<TRIPOS>MOLECULE
86208472
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0466
2	Br2    -1.3639     0.2985    -2.8593	Br	1	noname	-0.0478
3	Br3    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0466
4	Br4     3.3388     1.4858     1.4589	Br	1	noname	-0.0482
5	Br5     3.0217     3.3811    -1.1584	Br	1	noname	-0.0495
6	Br6    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0482
7	Br7    -5.4698     0.6433     2.8396	Br	1	noname	-0.0495
8	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1857
9	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0655
10	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0405
11	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0539
12	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0312
13	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0465
14	C6    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0042
15	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0420
16	C8     0.8517     1.7035    -1.8206	C.2	1	noname	0.0128
17	C9     1.8583     1.9576    -0.8964	C.2	1	noname	0.0110
18	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0392
19	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0131
20	C12    -3.9993     0.0690     1.8616	C.2	1	noname	0.0037
21	H1    -1.1420     1.1916     0.5711	H	1	noname	0.0651
22	H2     0.7521     2.2989    -2.6428	H	1	noname	0.0647
23	H3    -3.0503     1.9369     1.8404	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	11	1
2	2	12	1
3	3	13	1
4	4	15	1
5	5	17	1
6	6	18	1
7	7	20	1
8	8	9	1
9	8	10	1
10	9	11	2
11	9	12	1
12	10	13	2
13	10	14	1
14	11	15	1
15	12	16	2
16	13	18	1
17	14	19	2
18	14	21	1
19	15	17	2
20	16	17	1
21	16	22	1
22	18	20	2
23	19	20	1
24	19	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1