@<TRIPOS>MOLECULE
71587062
21 21 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.0239    -0.0749     0.7612	O.3	1	noname	-0.2047
2	O2    -1.4786     1.7182     0.3367	O.2	1	noname	-0.2540
3	C1     2.0514    -0.1538    -0.6950	C.3	1	noname	-0.0169
4	C2     1.4713     0.0896     0.7372	C.3	1	noname	0.0670
5	C3     1.2959     0.7647    -1.7077	C.3	1	noname	-0.0389
6	C4    -0.2527     0.7550    -1.5813	C.3	1	noname	0.0340
7	C5     1.8480    -1.6190    -1.0854	C.3	1	noname	-0.0600
8	C6     2.1125    -0.8916     1.7206	C.3	1	noname	-0.0378
9	C7    -0.6545     0.8799    -0.0883	C.2	1	noname	0.1409
10	H1     3.1306    -0.0031    -0.7207	H	1	noname	0.0326
11	H2     1.6808     1.1276     0.9954	H	1	noname	0.0609
12	H3     1.5791     0.4939    -2.7249	H	1	noname	0.0275
13	H4     1.6057     1.7828    -1.4718	H	1	noname	0.0275
14	H5    -0.6682     1.5931    -2.1407	H	1	noname	0.0372
15	H6    -0.5748    -0.2253    -1.9325	H	1	noname	0.0372
16	H7     2.2522    -1.7886    -2.0834	H	1	noname	0.0234
17	H8     0.7832    -1.8520    -1.0803	H	1	noname	0.0234
18	H9     2.3637    -2.2604    -0.3707	H	1	noname	0.0234
19	H10     3.1954    -0.7685     1.7027	H	1	noname	0.0257
20	H11     1.7409    -0.6934     2.7260	H	1	noname	0.0257
21	H12     1.8580    -1.9119     1.4338	H	1	noname	0.0257
@<TRIPOS>BOND
1	1	4	1
2	1	9	1
3	2	9	2
4	3	4	1
5	3	5	1
6	3	7	1
7	3	10	1
8	4	8	1
9	4	11	1
10	5	6	1
11	5	12	1
12	5	13	1
13	6	9	1
14	6	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	8	20	1
21	8	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1