@MOLECULE DB02201 9 8 1 SMALL USER_CHARGES @ATOM 1 O1 2.0850 -1.0825 0.0000 O.2 1 noname -0.4820 2 C1 1.4600 0.0000 0.0000 C.2 1 noname -0.0713 3 O2 2.1350 1.1691 0.0000 O.3 1 noname -0.4820 4 C2 0.0000 0.0000 0.0000 C.3 1 noname 0.0234 5 C3 -0.4867 1.3765 0.0000 C.2 1 noname -0.0713 6 O3 -1.7156 1.6049 0.0000 O.2 1 noname -0.4820 7 O4 0.3906 2.4026 0.0000 O.3 1 noname -0.4820 8 H1 -0.3147 -0.4450 -0.9440 H 1 noname 0.0236 9 H2 -0.3147 -0.4450 0.9440 H 1 noname 0.0236 @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 4 8 1 8 4 9 1 @SUBSTRUCTURE 1 noname 1