@<TRIPOS>MOLECULE
86208485
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0467
2	Br2     3.3388     1.4858     1.4589	Br	1	noname	-0.0495
3	Br3    -5.4698     0.6433     2.8396	Br	1	noname	-0.0508
4	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1980
5	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0372
6	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0065
7	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0369
8	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	-0.0136
9	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	-0.0152
10	C6    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0152
11	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0134
12	C8     0.8517     1.7035    -1.8206	C.2	1	noname	-0.0396
13	C9     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0342
14	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0244
15	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0244
16	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0302
17	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0650
18	H2    -2.7471    -2.6586     0.4186	H	1	noname	0.0650
19	H3    -1.1420     1.1916     0.5711	H	1	noname	0.0650
20	H4     0.7521     2.2989    -2.6428	H	1	noname	0.0623
21	H5     2.4973     2.7395    -1.0403	H	1	noname	0.0634
22	H6    -4.6554    -1.9134     1.6879	H	1	noname	0.0635
23	H7    -3.0503     1.9369     1.8404	H	1	noname	0.0635
@<TRIPOS>BOND
1	1	7	1
2	2	11	1
3	3	16	1
4	4	5	1
5	4	6	1
6	5	7	2
7	5	8	1
8	6	9	2
9	6	10	1
10	7	11	1
11	8	12	2
12	8	17	1
13	9	14	1
14	9	18	1
15	10	15	2
16	10	19	1
17	11	13	2
18	12	13	1
19	12	20	1
20	13	21	1
21	14	16	2
22	14	22	1
23	15	16	1
24	15	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1