@<TRIPOS>MOLECULE
86208471
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1    -3.1029     2.7349     2.0873	Br	1	noname	-0.0494
2	Br2     0.6703     2.7875    -3.3175	Br	1	noname	-0.0494
3	Br3    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0494
4	Br4     3.3388     1.4858     1.4589	Br	1	noname	-0.0494
5	Br5    -5.4698     0.6433     2.8396	Br	1	noname	-0.0483
6	Br6     3.0217     3.3811    -1.1584	Br	1	noname	-0.0483
7	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.2007
8	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0232
9	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0232
10	C3    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0134
11	C4     1.1232     0.0808     0.4202	C.2	1	noname	0.0134
12	C5    -1.8855     0.5345     0.8074	C.2	1	noname	0.0134
13	C6    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0134
14	C7     0.8517     1.7035    -1.8206	C.2	1	noname	0.0220
15	C8    -2.9861     0.9644     1.5395	C.2	1	noname	0.0220
16	C9     1.9941     1.1463     0.2241	C.2	1	noname	0.0220
17	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0220
18	C11     1.8583     1.9576    -0.8964	C.2	1	noname	0.0212
19	C12    -3.9993     0.0690     1.8616	C.2	1	noname	0.0212
20	H1     1.2229    -0.5146     1.2424	H	1	noname	0.0662
21	H2    -2.7471    -2.6586     0.4186	H	1	noname	0.0662
22	H3    -0.7578     0.4515    -2.3027	H	1	noname	0.0662
23	H4    -1.1420     1.1916     0.5711	H	1	noname	0.0662
@<TRIPOS>BOND
1	1	15	1
2	2	14	1
3	3	17	1
4	4	16	1
5	5	19	1
6	6	18	1
7	7	8	1
8	7	9	1
9	8	11	2
10	8	13	1
11	9	10	2
12	9	12	1
13	10	17	1
14	10	21	1
15	11	16	1
16	11	20	1
17	12	15	2
18	12	23	1
19	13	14	2
20	13	22	1
21	14	18	1
22	15	19	1
23	16	18	2
24	17	19	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1