@<TRIPOS>MOLECULE
86208540
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0466
2	Br2     3.3388     1.4858     1.4589	Br	1	noname	-0.0482
3	Br3     3.0217     3.3811    -1.1584	Br	1	noname	-0.0495
4	Br4    -3.1029     2.7349     2.0873	Br	1	noname	-0.0506
5	Br5    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0506
6	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1962
7	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0403
8	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0202
9	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0459
10	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	-0.0048
11	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0047
12	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0047
13	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0391
14	C8     0.8517     1.7035    -1.8206	C.2	1	noname	-0.0132
15	C9     1.8583     1.9576    -0.8964	C.2	1	noname	0.0032
16	C10    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0040
17	C11    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0040
18	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0157
19	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0651
20	H2    -2.7471    -2.6586     0.4186	H	1	noname	0.0662
21	H3    -1.1420     1.1916     0.5711	H	1	noname	0.0662
22	H4     0.7521     2.2989    -2.6428	H	1	noname	0.0635
23	H5    -4.8070     0.3844     2.3988	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	9	1
2	2	13	1
3	3	15	1
4	4	16	1
5	5	17	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	13	1
13	10	14	2
14	10	19	1
15	11	17	1
16	11	20	1
17	12	16	2
18	12	21	1
19	13	15	2
20	14	15	1
21	14	22	1
22	16	18	1
23	17	18	2
24	18	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1