@<TRIPOS>MOLECULE
85769495
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0466
2	Br2     3.3388     1.4858     1.4589	Br	1	noname	-0.0482
3	Br3     0.6703     2.7875    -3.3175	Br	1	noname	-0.0494
4	Br4     3.0217     3.3811    -1.1584	Br	1	noname	-0.0483
5	Br5    -3.1029     2.7349     2.0873	Br	1	noname	-0.0494
6	Br6    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0494
7	Br7    -5.4698     0.6433     2.8396	Br	1	noname	-0.0483
8	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1951
9	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0487
10	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0233
11	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0488
12	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0212
13	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0137
14	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0137
15	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0476
16	C8     0.8517     1.7035    -1.8206	C.2	1	noname	0.0248
17	C9     1.8583     1.9576    -0.8964	C.2	1	noname	0.0289
18	C10    -2.9861     0.9644     1.5395	C.2	1	noname	0.0220
19	C11    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0220
20	C12    -3.9993     0.0690     1.8616	C.2	1	noname	0.0214
21	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0663
22	H2    -2.7471    -2.6586     0.4186	H	1	noname	0.0662
23	H3    -1.1420     1.1916     0.5711	H	1	noname	0.0662
@<TRIPOS>BOND
1	1	11	1
2	2	15	1
3	3	16	1
4	4	17	1
5	5	18	1
6	6	19	1
7	7	20	1
8	8	9	1
9	8	10	1
10	9	11	1
11	9	12	2
12	10	13	2
13	10	14	1
14	11	15	2
15	12	16	1
16	12	21	1
17	13	19	1
18	13	22	1
19	14	18	2
20	14	23	1
21	15	17	1
22	16	17	2
23	18	20	1
24	19	20	2
@<TRIPOS>SUBSTRUCTURE
1	noname	1