@<TRIPOS>MOLECULE
86208477
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	-0.0482
4	Br4     3.3388     1.4858     1.4589	Br	1	noname	-0.0482
5	Br5     3.0217     3.3811    -1.1584	Br	1	noname	-0.0482
6	Br6    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0479
7	Br7    -0.5319     1.7308     0.3772	Br	1	noname	-0.0479
8	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1803
9	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0742
10	C2     1.1232     0.0808     0.4202	C.2	1	noname	0.0571
11	C3    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0571
12	C4    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0540
13	C5     0.8517     1.7035    -1.8206	C.2	1	noname	0.0506
14	C6     1.9941     1.1463     0.2241	C.2	1	noname	0.0506
15	C7     1.8583     1.9576    -0.8964	C.2	1	noname	0.0371
16	C8    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0198
17	C9    -1.8855     0.5345     0.8074	C.2	1	noname	0.0198
18	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0217
19	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0217
20	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0523
21	H1    -4.6554    -1.9134     1.6879	H	1	noname	0.0635
22	H2    -3.0503     1.9369     1.8404	H	1	noname	0.0635
23	H3    -4.8070     0.3844     2.3988	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	10	1
2	2	11	1
3	3	13	1
4	4	14	1
5	5	15	1
6	6	16	1
7	7	17	1
8	8	9	1
9	8	12	1
10	9	10	2
11	9	11	1
12	10	14	1
13	11	13	2
14	12	16	2
15	12	17	1
16	13	15	1
17	14	15	2
18	16	18	1
19	17	19	2
20	18	20	2
21	18	21	1
22	19	20	1
23	19	22	1
24	20	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1