@<TRIPOS>MOLECULE
DB03587
9 8 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9850    -1.0825     0.0000	O.2	1	noname	-0.2763
2	C1     1.3600     0.0000     0.0000	C.2	1	noname	0.1741
3	C2     0.0000     0.0000     0.0000	C.2	1	noname	0.1727
4	C3     2.0900     1.2644     0.0000	C.3	1	noname	0.0018
5	O2    -0.6100     1.0566     0.0000	O.2	1	noname	-0.2797
6	H1    -0.6309    -0.8888     0.0000	H	1	noname	0.1130
7	H2     2.2717     1.5791     1.0277	H	1	noname	0.0314
8	H3     3.0424     1.1341    -0.5138	H	1	noname	0.0314
9	H4     1.5009     2.0240    -0.5138	H	1	noname	0.0314
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	3	5	2
5	3	6	1
6	4	7	1
7	4	8	1
8	4	9	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1