@<TRIPOS>MOLECULE
DB02531
14 13 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     1.9312     1.0349     0.3353	O.2	1	noname	-0.2550
2	C1     1.4806    -0.0535    -0.0830	C.2	1	noname	0.1361
3	O2     2.2916    -1.1286    -0.1764	O.3	1	noname	-0.2182
4	C2     0.0771    -0.1619    -0.4705	C.3	1	noname	0.0392
5	C3    -0.6106    -1.2199     0.3946	C.3	1	noname	-0.0534
6	C4    -0.0155    -0.5680    -1.9427	C.3	1	noname	-0.0534
7	H1     2.5216    -1.4335     0.7043	H	1	noname	0.2213
8	H2    -0.3732     0.8180    -0.3118	H	1	noname	0.0403
9	H3    -0.4572    -0.9840     1.4477	H	1	noname	0.0238
10	H4    -1.6784    -1.2298     0.1763	H	1	noname	0.0238
11	H5    -0.1860    -2.1998     0.1763	H	1	noname	0.0238
12	H6    -0.0204    -1.6552    -2.0201	H	1	noname	0.0238
13	H7    -0.9343    -0.1690    -2.3725	H	1	noname	0.0238
14	H8     0.8421    -0.1690    -2.4844	H	1	noname	0.0238
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	1
5	4	6	1
6	3	7	1
7	4	8	1
8	5	9	1
9	5	10	1
10	5	11	1
11	6	12	1
12	6	13	1
13	6	14	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1