@<TRIPOS>MOLECULE
86208459
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0478
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    -0.5319     1.7308     0.3772	Br	1	noname	-0.0479
5	Br5    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0495
6	Br6     3.0217     3.3811    -1.1584	Br	1	noname	-0.0507
7	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1813
8	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0571
9	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0624
10	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0286
11	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0286
12	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0452
13	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0227
14	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0043
15	C8     0.8517     1.7035    -1.8206	C.2	1	noname	0.0043
16	C9    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0163
17	C10    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0134
18	C11     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0147
19	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0261
20	H1     2.7327     1.3327     0.9023	H	1	noname	0.0647
21	H2     0.7521     2.2989    -2.6428	H	1	noname	0.0647
22	H3    -3.0503     1.9369     1.8404	H	1	noname	0.0635
23	H4    -4.8070     0.3844     2.3988	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	10	1
2	2	11	1
3	3	12	1
4	4	13	1
5	5	16	1
6	6	18	1
7	7	8	1
8	7	9	1
9	8	10	2
10	8	11	1
11	9	12	1
12	9	13	2
13	10	14	1
14	11	15	2
15	12	16	2
16	13	17	1
17	14	18	2
18	14	20	1
19	15	18	1
20	15	21	1
21	16	19	1
22	17	19	2
23	17	22	1
24	19	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1