@<TRIPOS>MOLECULE
DB04562
20 19 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.7414    -0.8996    -0.2506	O.2	1	noname	-0.2544
2	C1     1.0339    -0.0879    -0.8854	C.2	1	noname	0.1369
3	O2     1.5770     0.6487    -1.8779	O.3	1	noname	-0.2177
4	C2    -0.3798     0.0637    -0.5535	C.3	1	noname	0.0634
5	C3    -0.6528     1.5092    -0.1329	C.3	1	noname	0.0461
6	C4    -1.2307    -0.2808    -1.7775	C.3	1	noname	0.0461
7	C5     0.1592     1.8378     1.0350	C.2	1	noname	0.1352
8	C6    -0.9702    -1.6601    -2.1788	C.2	1	noname	0.1352
9	O3     0.9880     2.7718     0.9773	O.2	1	noname	-0.2557
10	O4     0.0151     1.1330     2.1774	O.3	1	noname	-0.2187
11	O5    -0.5221    -1.9051    -3.3198	O.2	1	noname	-0.2557
12	O6    -1.2132    -2.6710    -1.3177	O.3	1	noname	-0.2187
13	H1     1.9427     0.0648    -2.5464	H	1	noname	0.2213
14	H2    -0.5891    -0.6226     0.2670	H	1	noname	0.0419
15	H3    -0.3004     2.1576    -0.9351	H	1	noname	0.0381
16	H4    -1.6900     1.5655     0.1976	H	1	noname	0.0381
17	H5    -2.2762    -0.2502    -1.4707	H	1	noname	0.0381
18	H6    -0.8867     0.3418    -2.6034	H	1	noname	0.0381
19	H7     0.0401     0.1940     1.9794	H	1	noname	0.2213
20	H8    -1.1359    -2.3493    -0.4165	H	1	noname	0.2213
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	5	7	1
7	6	8	1
8	7	9	2
9	7	10	1
10	8	11	2
11	8	12	1
12	3	13	1
13	4	14	1
14	5	15	1
15	5	16	1
16	6	17	1
17	6	18	1
18	10	19	1
19	12	20	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1