@<TRIPOS>MOLECULE
DB03688
12 11 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0850    -1.0825     0.0000	O.2	1	noname	-0.2552
2	C1     1.4600     0.0000     0.0000	C.2	1	noname	0.1359
3	O2     2.1350     1.1691     0.0000	O.3	1	noname	-0.2183
4	C2     0.0000     0.0000     0.0000	C.3	1	noname	0.0566
5	C3    -0.5100     1.4425     0.0000	C.3	1	noname	0.0525
6	O3    -1.9300     1.4425     0.0000	O.3	1	noname	-0.3957
7	H1     2.2950     1.4463     0.9051	H	1	noname	0.2213
8	H2    -0.2998    -0.4552    -0.9440	H	1	noname	0.0396
9	H3    -0.2998    -0.4552     0.9440	H	1	noname	0.0396
10	H4    -0.2192     1.9034     0.9440	H	1	noname	0.0568
11	H5    -0.2192     1.9034    -0.9440	H	1	noname	0.0568
12	H6    -2.2500     1.4425     0.9051	H	1	noname	0.2100
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	1
6	3	7	1
7	4	8	1
8	4	9	1
9	5	10	1
10	5	11	1
11	6	12	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1