@<TRIPOS>MOLECULE
DB04553
13 12 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1	O1     2.0460    -0.3663    -0.5274	O.2	1	noname	-0.2345
2	C1     1.1109    -0.7345     0.2159	C.2	1	noname	0.1653
3	O2     1.2362    -1.8597     0.9512	O.3	1	noname	-0.2015
4	C2    -0.0580     0.0145     0.2853	C.2	1	noname	0.2113
5	O3    -0.0195     1.2511     0.1066	O.2	1	noname	-0.2584
6	C3    -1.3308    -0.6431     0.5669	C.3	1	noname	0.0137
7	C4    -1.9859    -1.0705    -0.7481	C.3	1	noname	-0.0579
8	H1     1.2113    -1.6364     1.8846	H	1	noname	0.2217
9	H2    -1.0841    -1.5485     1.1213	H	1	noname	0.0349
10	H3    -1.9671     0.1171     1.0199	H	1	noname	0.0349
11	H4    -2.0135    -2.1587    -0.8034	H	1	noname	0.0235
12	H5    -3.0021    -0.6786    -0.7919	H	1	noname	0.0235
13	H6    -1.4089    -0.6786    -1.5857	H	1	noname	0.0235
@<TRIPOS>BOND
1	1	2	2
2	2	3	1
3	2	4	1
4	4	5	2
5	4	6	1
6	6	7	1
7	3	8	1
8	6	9	1
9	6	10	1
10	7	11	1
11	7	12	1
12	7	13	1
@<TRIPOS>SUBSTRUCTURE
1	noname	1