@<TRIPOS>MOLECULE
DB02521
21 22 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9518    -1.3514    -0.1191	O.2	1	noname	-0.2828
2	C1     1.3314    -0.2782    -0.2800	C.2	1	noname	0.1029
3	C2     1.8496     0.8263    -1.0796	C.2	1	noname	0.0566
4	C3     0.0018    -0.0147     0.3260	C.2	1	noname	0.0394
5	O2     3.0236     0.6672    -1.6618	O.3	1	noname	-0.2688
6	C4     1.2106     1.9975    -1.2637	C.2	1	noname	0.0885
7	C5    -0.6847     1.2399     0.1170	C.2	1	noname	0.0343
8	C6    -0.5914    -1.0372     1.1189	C.2	1	noname	0.0093
9	C7    -0.0915     2.3272    -0.6953	C.2	1	noname	0.0960
10	C8    -1.9633     1.4722     0.7000	C.2	1	noname	0.0571
11	C9    -1.8762    -0.7977     1.6958	C.2	1	noname	0.0355
12	O3    -0.6558     3.4276    -0.8773	O.2	1	noname	-0.2929
13	O4    -2.6034     2.6451     0.5077	O.3	1	noname	-0.2758
14	C10    -2.5553     0.4425     1.4910	C.2	1	noname	0.0247
15	O5    -2.4574    -1.7578     2.4459	O.3	1	noname	-0.2814
16	H1     3.7038     0.5750    -0.9907	H	1	noname	0.2183
17	H2     1.7627     2.6982    -1.8902	H	1	noname	0.0692
18	H3    -0.0733    -1.9825     1.2807	H	1	noname	0.0658
19	H4    -2.8169     3.0363     1.3580	H	1	noname	0.2182
20	H5    -3.5341     0.6044     1.9424	H	1	noname	0.0677
21	H6    -2.3348    -1.5552     3.3762	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	1
5	3	6	2
6	4	7	2
7	4	8	1
8	6	9	1
9	7	10	1
10	7	9	1
11	8	11	2
12	9	12	2
13	10	13	1
14	10	14	2
15	11	15	1
16	11	14	1
17	5	16	1
18	6	17	1
19	8	18	1
20	13	19	1
21	14	20	1
22	15	21	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1