@<TRIPOS>MOLECULE
76962001
11 10 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0033     1.3388     0.0000	O.3	1	noname	-1.0498
2	C1     0.0000     0.0000     0.0000	C.3	1	noname	-0.0595
3	C2     1.5300     0.0000     0.0000	C.3	1	noname	0.0165
4	C3    -0.5100    -1.4425     0.0000	C.3	1	noname	-0.0663
5	H1    -0.3633     0.5138     0.8900	H	1	noname	0.0253
6	H2    -0.3633     0.5138    -0.8900	H	1	noname	0.0253
7	H3     1.8933    -0.5138    -0.8900	H	1	noname	0.0198
8	H4     1.8933    -0.5138     0.8900	H	1	noname	0.0198
9	H5    -1.6000    -1.4425     0.0000	H	1	noname	0.0230
10	H6    -0.1467    -1.9563    -0.8900	H	1	noname	0.0230
11	H7    -0.1467    -1.9563     0.8900	H	1	noname	0.0230
@<TRIPOS>BOND
1	1	3	1
2	2	3	1
3	2	4	1
4	2	5	1
5	2	6	1
6	3	7	1
7	3	8	1
8	4	9	1
9	4	10	1
10	4	11	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1