@<TRIPOS>MOLECULE
86208550
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	-0.0466
3	Br3     0.6703     2.7875    -3.3175	Br	1	noname	-0.0494
4	Br4     3.3388     1.4858     1.4589	Br	1	noname	-0.0494
5	Br5    -5.4698     0.6433     2.8396	Br	1	noname	-0.0508
6	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1915
7	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0708
8	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0066
9	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0476
10	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0476
11	C5     0.8517     1.7035    -1.8206	C.2	1	noname	0.0245
12	C6     1.9941     1.1463     0.2241	C.2	1	noname	0.0245
13	C7     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0005
14	C8    -2.8113    -1.6861     0.7195	C.2	1	noname	-0.0149
15	C9    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0149
16	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0244
17	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0244
18	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0299
19	H1     2.4973     2.7395    -1.0403	H	1	noname	0.0647
20	H2    -2.7471    -2.6586     0.4186	H	1	noname	0.0650
21	H3    -1.1420     1.1916     0.5711	H	1	noname	0.0650
22	H4    -4.6554    -1.9134     1.6879	H	1	noname	0.0635
23	H5    -3.0503     1.9369     1.8404	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	9	1
2	2	10	1
3	3	11	1
4	4	12	1
5	5	18	1
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	14	2
11	8	15	1
12	9	12	1
13	10	11	2
14	11	13	1
15	12	13	2
16	13	19	1
17	14	16	1
18	14	20	1
19	15	17	2
20	15	21	1
21	16	18	2
22	16	22	1
23	17	18	1
24	17	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1