@<TRIPOS>MOLECULE
76961690
5 4 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.2216    -0.5975     0.2195	O.3	1	noname	-0.2238
2	O2    -0.2725     1.0543    -0.1150	O.2	1	noname	-0.2624
3	C1    -0.0450    -0.1645     0.0438	C.2	1	noname	0.1269
4	H1    -0.8163    -0.8320     0.0406	H	1	noname	0.1383
5	H2     1.9672    -0.1099    -0.1889	H	1	noname	0.2210
@<TRIPOS>BOND
1	1	3	1
2	1	5	1
3	2	3	2
4	3	4	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1