@<TRIPOS>MOLECULE
72941820
23 24 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	Br1     1.3046    -1.0032     1.9171	Br	1	noname	-0.0466
2	Br2    -2.6945    -3.4567     0.1717	Br	1	noname	-0.0466
3	Br3    -0.5319     1.7308     0.3772	Br	1	noname	-0.0466
4	Br4     3.3388     1.4858     1.4589	Br	1	noname	-0.0482
5	Br5     0.6703     2.7875    -3.3175	Br	1	noname	-0.0494
6	Br6    -3.1029     2.7349     2.0873	Br	1	noname	-0.0494
7	Br7    -5.2656    -2.4525     1.8818	Br	1	noname	-0.0494
8	Br8     3.0217     3.3811    -1.1584	Br	1	noname	-0.0483
9	O1    -0.7291    -1.2082    -0.3136	O.3	1	noname	-0.1841
10	C1     0.1167    -0.1734    -0.5041	C.2	1	noname	0.0489
11	C2    -1.7981    -0.7907     0.3974	C.2	1	noname	0.0709
12	C3     1.1232     0.0808     0.4202	C.2	1	noname	0.0494
13	C4    -0.0191     0.6380    -1.6245	C.2	1	noname	0.0217
14	C5    -2.8113    -1.6861     0.7195	C.2	1	noname	0.0479
15	C6    -1.8855     0.5345     0.8074	C.2	1	noname	0.0479
16	C7     1.9941     1.1463     0.2241	C.2	1	noname	0.0477
17	C8     0.8517     1.7035    -1.8206	C.2	1	noname	0.0249
18	C9    -2.9861     0.9644     1.5395	C.2	1	noname	0.0246
19	C10    -3.9119    -1.2563     1.4515	C.2	1	noname	0.0246
20	C11     1.8583     1.9576    -0.8964	C.2	1	noname	0.0294
21	C12    -3.9993     0.0690     1.8616	C.2	1	noname	-0.0002
22	H1    -0.7578     0.4515    -2.3027	H	1	noname	0.0663
23	H2    -4.8070     0.3844     2.3988	H	1	noname	0.0647
@<TRIPOS>BOND
1	1	12	1
2	2	14	1
3	3	15	1
4	4	16	1
5	5	17	1
6	6	18	1
7	7	19	1
8	8	20	1
9	9	10	1
10	9	11	1
11	10	12	1
12	10	13	2
13	11	14	2
14	11	15	1
15	12	16	2
16	13	17	1
17	13	22	1
18	14	19	1
19	15	18	2
20	16	20	1
21	17	20	2
22	18	21	1
23	19	21	2
24	21	23	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1