@<TRIPOS>MOLECULE
86208444
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0479
2	Br2    -0.5319     1.7308     0.3772	Br	1	noname	-0.0479
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     3.0217     3.3811    -1.1584	Br	1	noname	-0.0483
6	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1916
7	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0234
8	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0538
9	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0139
10	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0139
11	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0192
12	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0192
13	C7     0.8517     1.7035    -1.8206	C.2	1	noname	0.0221
14	C8     1.9941     1.1463     0.2241	C.2	1	noname	0.0221
15	C9     1.8583     1.9576    -0.8964	C.2	1	noname	0.0217
16	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0218
17	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0218
18	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0529
19	H1     1.2229    -0.5146     1.2424	H	1	noname	0.0662
20	H2    -0.7578     0.4515    -2.3027	H	1	noname	0.0662
21	H3    -4.6554    -1.9134     1.6879	H	1	noname	0.0635
22	H4    -3.0503     1.9369     1.8404	H	1	noname	0.0635
23	H5    -4.8070     0.3844     2.3988	H	1	noname	0.0623
@<TRIPOS>BOND
1	1	11	1
2	2	12	1
3	3	13	1
4	4	14	1
5	5	15	1
6	6	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	9	14	1
13	9	19	1
14	10	13	2
15	10	20	1
16	11	16	1
17	12	17	2
18	13	15	1
19	14	15	2
20	16	18	2
21	16	21	1
22	17	18	1
23	17	22	1
24	18	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1