@<TRIPOS>MOLECULE
86208457
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0479
2	Br2    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0467
3	Br3     0.6703     2.7875    -3.3175	Br	1	noname	-0.0495
4	Br4    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0494
5	Br5    -3.1029     2.7349     2.0873	Br	1	noname	-0.0506
6	Br6     3.0217     3.3811    -1.1584	Br	1	noname	-0.0495
7	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1907
8	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0402
9	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0456
10	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0234
11	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0185
12	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0401
13	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0125
14	C7     0.8517     1.7035    -1.8206	C.2	1	noname	0.0163
15	C8     1.9941     1.1463     0.2241	C.2	1	noname	0.0100
16	C9    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0218
17	C10    -2.9861     0.9644     1.5395	C.2	1	noname	-0.0012
18	C11     1.8583     1.9576    -0.8964	C.2	1	noname	0.0033
19	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0080
20	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0663
21	H2    -1.1420     1.1916     0.5711	H	1	noname	0.0662
22	H3     2.7327     1.3327     0.9023	H	1	noname	0.0647
23	H4    -4.8070     0.3844     2.3988	H	1	noname	0.0646
@<TRIPOS>BOND
1	1	10	1
2	2	12	1
3	3	14	1
4	4	16	1
5	5	17	1
6	6	18	1
7	7	8	1
8	7	9	1
9	8	10	1
10	8	11	2
11	9	12	2
12	9	13	1
13	10	15	2
14	11	14	1
15	11	20	1
16	12	16	1
17	13	17	2
18	13	21	1
19	14	18	2
20	15	18	1
21	15	22	1
22	16	19	2
23	17	19	1
24	19	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1