@<TRIPOS>MOLECULE
DB02579
9 8 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9850    -1.0825     0.0000	O.2	1	noname	-0.2632
2	C1     1.3600     0.0000     0.0000	C.2	1	noname	0.0869
3	O2     2.0350     1.1691     0.0000	O.3	1	noname	-0.2217
4	C2     0.0000     0.0000     0.0000	C.2	1	noname	0.0417
5	C3    -0.6650     1.1518     0.0000	C.2	1	noname	-0.0411
6	H1     2.1950     1.4463     0.9051	H	1	noname	0.2216
7	H2    -0.5631    -0.9333     0.0000	H	1	noname	0.0680
8	H3    -0.1200     2.0958     0.0000	H	1	noname	0.0540
9	H4    -1.7550     1.1518     0.0000	H	1	noname	0.0540
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	3	6	1
6	4	7	1
7	5	8	1
8	5	9	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1