@<TRIPOS>MOLECULE
85785802
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0479
2	Br2     0.6703     2.7875    -3.3175	Br	1	noname	-0.0495
3	Br3    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0479
4	Br4     3.0217     3.3811    -1.1584	Br	1	noname	-0.0495
5	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1925
6	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0402
7	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0288
8	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0234
9	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0184
10	C5     0.8517     1.7035    -1.8206	C.2	1	noname	0.0163
11	C6     1.9941     1.1463     0.2241	C.2	1	noname	0.0100
12	C7    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0118
13	C8    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0161
14	C9     1.8583     1.9576    -0.8964	C.2	1	noname	0.0032
15	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0245
16	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0479
17	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0603
18	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0663
19	H2     2.7327     1.3327     0.9023	H	1	noname	0.0647
20	H3    -1.1420     1.1916     0.5711	H	1	noname	0.0650
21	H4    -4.6554    -1.9134     1.6879	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	0.0623
@<TRIPOS>BOND
1	1	8	1
2	2	10	1
3	3	12	1
4	4	14	1
5	5	6	1
6	5	7	1
7	6	8	1
8	6	9	2
9	7	12	1
10	7	13	2
11	8	11	2
12	9	10	1
13	9	18	1
14	10	14	2
15	11	14	1
16	11	19	1
17	12	15	2
18	13	16	1
19	13	20	1
20	15	17	1
21	15	21	1
22	16	17	2
23	16	22	1
24	17	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1