@<TRIPOS>MOLECULE
DB02590
22 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     0.2663     0.3730     0.3915	O.3	1	noname	-0.3444
2	C1     1.1045    -0.1112    -0.7069	C.3	1	noname	0.1810
3	C2     0.3614     1.7617     0.8458	C.3	1	noname	0.0840
4	O2     1.4125    -1.4817    -0.4988	O.3	1	noname	-0.3657
5	C3     2.4180     0.6814    -0.9713	C.3	1	noname	0.1073
6	C4     0.9430     2.7830    -0.1756	C.3	1	noname	0.0828
7	C5    -1.0135     2.2392     1.3178	C.3	1	noname	-0.0360
8	O3     3.3982     0.3059    -0.0150	O.3	1	noname	-0.3876
9	C6     2.2000     2.2257    -0.9139	C.3	1	noname	0.0067
10	O4    -0.0547     3.1202    -1.1281	O.3	1	noname	-0.3902
11	H1     0.4514    -0.0330    -1.5760	H	1	noname	0.0948
12	H2     1.0813     1.6726     1.6594	H	1	noname	0.0628
13	H3     1.4528    -1.6611     0.4435	H	1	noname	0.2134
14	H4     2.8348     0.3971    -1.9376	H	1	noname	0.0654
15	H5     1.1858     3.7182     0.3289	H	1	noname	0.0628
16	H6    -1.0405     2.2485     2.4074	H	1	noname	0.0258
17	H7    -1.1977     3.2453     0.9411	H	1	noname	0.0258
18	H8    -1.7817     1.5638     0.9411	H	1	noname	0.0258
19	H9     3.0498     0.4394     0.8696	H	1	noname	0.2106
20	H10     3.0474     2.6041    -0.3422	H	1	noname	0.0322
21	H11     2.0663     2.5255    -1.9533	H	1	noname	0.0322
22	H12    -0.8547     3.3906    -0.6715	H	1	noname	0.2105
@<TRIPOS>BOND
1	1	2	1
2	1	3	1
3	2	4	1
4	2	5	1
5	3	6	1
6	3	7	1
7	5	8	1
8	5	9	1
9	6	10	1
10	6	9	1
11	2	11	1
12	3	12	1
13	4	13	1
14	5	14	1
15	6	15	1
16	7	16	1
17	7	17	1
18	7	18	1
19	8	19	1
20	9	20	1
21	9	21	1
22	10	22	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1