@<TRIPOS>MOLECULE
76968513
13 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1    -1.0150    -0.9246     0.0000	O.3	1	noname	-0.2869
2	O2     3.3171     1.0135     0.0000	O.3	1	noname	-0.8481
3	C1    -0.2234     0.1690     0.0000	C.2	1	noname	-0.0137
4	C2     1.1592     0.0262     0.0000	C.2	1	noname	-0.0551
5	C3    -0.7911     1.4379     0.0000	C.2	1	noname	-0.0734
6	C4     1.9742     1.1522     0.0000	C.2	1	noname	-0.0362
7	C5     0.0240     2.5639     0.0000	C.2	1	noname	-0.0637
8	C6     1.4066     2.4210     0.0000	C.2	1	noname	-0.0937
9	H1     1.5758    -0.9048    -0.0000	H	1	noname	0.0641
10	H2    -1.8057     1.5427     0.0000	H	1	noname	0.0649
11	H3    -0.3926     3.4949    -0.0000	H	1	noname	0.0623
12	H4     2.0047     3.2473    -0.0000	H	1	noname	0.0614
13	H5    -0.4580    -1.7309    -0.0000	H	1	noname	0.2181
@<TRIPOS>BOND
1	1	3	1
2	1	13	1
3	2	6	1
4	3	4	2
5	3	5	1
6	4	6	1
7	4	9	1
8	5	7	2
9	5	10	1
10	6	8	2
11	7	8	1
12	7	11	1
13	8	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1