@<TRIPOS>MOLECULE
DB01762
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0850    -1.0825     0.0000	O.2	1	noname	-0.2534
2	C1     1.4600     0.0000     0.0000	C.2	1	noname	0.1385
3	O2     2.1350     1.1691     0.0000	O.3	1	noname	-0.2169
4	C2     0.0000     0.0000     0.0000	C.3	1	noname	0.0919
5	C3    -0.4867     1.3765     0.0000	C.2	1	noname	0.1373
6	O3    -1.7156     1.6049     0.0000	O.2	1	noname	-0.2972
7	C4     0.4621     2.4862     0.0000	C.3	1	noname	-0.0051
8	H1     2.2950     1.4463     0.9051	H	1	noname	0.2213
9	H2    -0.3147    -0.4450    -0.9440	H	1	noname	0.0453
10	H3    -0.3147    -0.4450     0.9440	H	1	noname	0.0453
11	H4     0.6982     2.7624     1.0277	H	1	noname	0.0310
12	H5     1.3746     2.1840    -0.5138	H	1	noname	0.0310
13	H6     0.0217     3.3407    -0.5138	H	1	noname	0.0310
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	5	6	2
6	5	7	1
7	3	8	1
8	4	9	1
9	4	10	1
10	7	11	1
11	7	12	1
12	7	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1