@<TRIPOS>MOLECULE
85785805
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     3.0217     3.3811    -1.1584	Br	1	noname	-0.0495
4	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1981
5	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0401
6	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0035
7	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0231
8	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0181
9	C5     0.8517     1.7035    -1.8206	C.2	1	noname	0.0162
10	C6     1.9941     1.1463     0.2241	C.2	1	noname	0.0099
11	C7     1.8583     1.9576    -0.8964	C.2	1	noname	0.0029
12	C8    -2.8113    -1.6861     0.7195	C.2	1	noname	-0.0238
13	C9    -1.8855     0.5345     0.8074	C.2	1	noname	-0.0238
14	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	-0.0506
15	C11    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0506
16	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0679
17	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0663
18	H2     2.7327     1.3327     0.9023	H	1	noname	0.0647
19	H3    -2.7471    -2.6586     0.4186	H	1	noname	0.0650
20	H4    -1.1420     1.1916     0.5711	H	1	noname	0.0650
21	H5    -4.6554    -1.9134     1.6879	H	1	noname	0.0623
22	H6    -3.0503     1.9369     1.8404	H	1	noname	0.0623
23	H7    -4.8070     0.3844     2.3988	H	1	noname	0.0622
@<TRIPOS>BOND
1	1	7	1
2	2	9	1
3	3	11	1
4	4	5	1
5	4	6	1
6	5	7	1
7	5	8	2
8	6	12	2
9	6	13	1
10	7	10	2
11	8	9	1
12	8	17	1
13	9	11	2
14	10	11	1
15	10	18	1
16	12	14	1
17	12	19	1
18	13	15	2
19	13	20	1
20	14	16	2
21	14	21	1
22	15	16	1
23	15	22	1
24	16	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1