@<TRIPOS>MOLECULE
86208498
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0467
2	Br2     3.3388     1.4858     1.4589	Br	1	noname	-0.0495
3	Br3    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0495
4	Br4     3.0217     3.3811    -1.1584	Br	1	noname	-0.0496
5	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1971
6	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0149
7	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0372
8	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0108
9	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	-0.0123
10	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0369
11	C6    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0135
12	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0135
13	C8     0.8517     1.7035    -1.8206	C.2	1	noname	-0.0160
14	C9    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0134
15	C10    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0396
16	C11     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0043
17	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0342
18	H1     1.2229    -0.5146     1.2424	H	1	noname	0.0662
19	H2    -0.7578     0.4515    -2.3027	H	1	noname	0.0650
20	H3    -1.1420     1.1916     0.5711	H	1	noname	0.0650
21	H4     0.7521     2.2989    -2.6428	H	1	noname	0.0635
22	H5    -3.0503     1.9369     1.8404	H	1	noname	0.0623
23	H6    -4.8070     0.3844     2.3988	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	10	1
2	2	12	1
3	3	14	1
4	4	16	1
5	5	6	1
6	5	7	1
7	6	8	2
8	6	9	1
9	7	10	2
10	7	11	1
11	8	12	1
12	8	18	1
13	9	13	2
14	9	19	1
15	10	14	1
16	11	15	2
17	11	20	1
18	12	16	2
19	13	16	1
20	13	21	1
21	14	17	2
22	15	17	1
23	15	22	1
24	17	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1