@<TRIPOS>MOLECULE
86208536
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0478
2	Br2    -1.3639     0.2985    -2.8593	Br	1	noname	-0.0478
3	Br3    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0479
4	Br4     3.0217     3.3811    -1.1584	Br	1	noname	-0.0507
5	Br5    -3.1029     2.7349     2.0873	Br	1	noname	-0.0507
6	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1869
7	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0570
8	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0372
9	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0283
10	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0283
11	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0149
12	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0099
13	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0043
14	C8     0.8517     1.7035    -1.8206	C.2	1	noname	0.0043
15	C9     1.8583     1.9576    -0.8964	C.2	1	noname	-0.0150
16	C10    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0096
17	C11    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0161
18	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0339
19	H1    -1.1420     1.1916     0.5711	H	1	noname	0.0662
20	H2     2.7327     1.3327     0.9023	H	1	noname	0.0647
21	H3     0.7521     2.2989    -2.6428	H	1	noname	0.0647
22	H4    -4.6554    -1.9134     1.6879	H	1	noname	0.0635
23	H5    -4.8070     0.3844     2.3988	H	1	noname	0.0634
@<TRIPOS>BOND
1	1	9	1
2	2	10	1
3	3	11	1
4	4	15	1
5	5	16	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	11	17	1
15	12	16	2
16	12	19	1
17	13	15	2
18	13	20	1
19	14	15	1
20	14	21	1
21	16	18	1
22	17	18	2
23	17	22	1
24	18	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1