@<TRIPOS>MOLECULE
DB04066
20 20 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.5460    -4.0728     0.8710	O.2	1	noname	-0.2623
2	C1    -1.8038    -2.9911     0.3000	C.2	1	noname	0.0912
3	O2    -2.9489    -2.8545    -0.4019	O.3	1	noname	-0.2211
4	C2    -0.9308    -1.9519     0.3858	C.2	1	noname	0.0581
5	C3    -1.2051    -0.8010    -0.2217	C.2	1	noname	-0.0132
6	C4    -0.3320     0.2382    -0.1359	C.2	1	noname	-0.0564
7	C5     1.0293    -0.0072     0.0003	C.2	1	noname	-0.0394
8	C6    -0.8011     1.5458    -0.1843	C.2	1	noname	-0.0394
9	C7     1.9216     1.0550     0.0880	C.2	1	noname	-0.0292
10	C8     0.0912     2.6080    -0.0966	C.2	1	noname	-0.0292
11	C9     1.4526     2.3626     0.0396	C.2	1	noname	-0.0002
12	O3     2.3192     3.3942     0.1248	O.3	1	noname	-0.2862
13	H1    -3.6876    -2.7664     0.2048	H	1	noname	0.2216
14	H2    -0.0011    -2.0423     0.9477	H	1	noname	0.0686
15	H3    -2.1347    -0.7105    -0.7836	H	1	noname	0.0631
16	H4     1.3972    -1.0325     0.0382	H	1	noname	0.0629
17	H5    -1.8687     1.7382    -0.2911	H	1	noname	0.0629
18	H6     2.9892     0.8626     0.1948	H	1	noname	0.0650
19	H7    -0.2766     3.6333    -0.1345	H	1	noname	0.0650
20	H8     2.4879     3.5950     1.0483	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	5	6	1
6	6	7	2
7	6	8	1
8	7	9	1
9	8	10	2
10	9	11	2
11	10	11	1
12	11	12	1
13	3	13	1
14	4	14	1
15	5	15	1
16	7	16	1
17	8	17	1
18	9	18	1
19	10	19	1
20	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1