@<TRIPOS>MOLECULE
86208553
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0479
2	Br2     0.6703     2.7875    -3.3175	Br	1	noname	-0.0494
3	Br3     3.3388     1.4858     1.4589	Br	1	noname	-0.0494
4	Br4     3.0217     3.3811    -1.1584	Br	1	noname	-0.0483
5	Br5    -5.4698     0.6433     2.8396	Br	1	noname	-0.0507
6	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1970
7	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0233
8	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0317
9	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0136
10	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0136
11	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0203
12	C6    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0077
13	C7     0.8517     1.7035    -1.8206	C.2	1	noname	0.0220
14	C8     1.9941     1.1463     0.2241	C.2	1	noname	0.0220
15	C9     1.8583     1.9576    -0.8964	C.2	1	noname	0.0214
16	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0015
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	-0.0228
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    -1.1420     1.1916     0.5711	H	1	noname	0.0651
22	H4    -4.6554    -1.9134     1.6879	H	1	noname	0.0647
23	H5    -3.0503     1.9369     1.8404	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	11	1
2	2	13	1
3	3	14	1
4	4	15	1
5	5	18	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	12	21	1
19	13	15	1
20	14	15	2
21	16	18	2
22	16	22	1
23	17	18	1
24	17	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1