@<TRIPOS>MOLECULE
DB02774
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0033    -1.3388     0.0000	O.3	1	noname	-0.3961
2	C1     1.5300     0.0000     0.0000	C.3	1	noname	0.0454
3	C2     0.0000     0.0000     0.0000	C.3	1	noname	-0.0065
4	C3    -0.5100     1.4425     0.0000	C.3	1	noname	0.0454
5	O2    -1.9300     1.4425     0.0000	O.3	1	noname	-0.3961
6	H1     2.1100    -1.6405     0.9051	H	1	noname	0.2100
7	H2     1.8677     0.4278     0.9440	H	1	noname	0.0564
8	H3     1.8677     0.4278    -0.9440	H	1	noname	0.0564
9	H4    -0.3147    -0.4450    -0.9440	H	1	noname	0.0313
10	H5    -0.3147    -0.4450     0.9440	H	1	noname	0.0313
11	H6    -0.2192     1.9034     0.9440	H	1	noname	0.0564
12	H7    -0.2192     1.9034    -0.9440	H	1	noname	0.0564
13	H8    -2.2500     1.4425     0.9051	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	1
2	2	3	1
3	3	4	1
4	4	5	1
5	1	6	1
6	2	7	1
7	2	8	1
8	3	9	1
9	3	10	1
10	4	11	1
11	4	12	1
12	5	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1