@<TRIPOS>MOLECULE
86208496
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0479
2	Br2    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0479
3	Br3    -0.5319     1.7308     0.3772	Br	1	noname	-0.0479
4	Br4     0.6703     2.7875    -3.3175	Br	1	noname	-0.0507
5	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1871
6	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0372
7	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0539
8	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0149
9	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0099
10	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0195
11	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0195
12	C7     0.8517     1.7035    -1.8206	C.2	1	noname	-0.0096
13	C8     1.9941     1.1463     0.2241	C.2	1	noname	-0.0161
14	C9    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0218
15	C10    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0218
16	C11     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0339
17	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0526
18	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0662
19	H2     2.7327     1.3327     0.9023	H	1	noname	0.0635
20	H3    -4.6554    -1.9134     1.6879	H	1	noname	0.0635
21	H4    -3.0503     1.9369     1.8404	H	1	noname	0.0635
22	H5     2.4973     2.7395    -1.0403	H	1	noname	0.0634
23	H6    -4.8070     0.3844     2.3988	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	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	13	1
12	9	12	2
13	9	18	1
14	10	14	1
15	11	15	2
16	12	16	1
17	13	16	2
18	13	19	1
19	14	17	2
20	14	20	1
21	15	17	1
22	15	21	1
23	16	22	1
24	17	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1