@MOLECULE DB03166 8 7 1 SMALL USER_CHARGES @ATOM 1 O1 1.2500 0.0000 0.0000 O.2 1 noname -0.2571 2 C1 0.0000 0.0000 0.0000 C.2 1 noname 0.1331 3 O2 -0.6750 1.1691 0.0000 O.3 1 noname -0.2198 4 C2 -0.7300 -1.2644 0.0000 C.3 1 noname 0.0218 5 H1 -0.8350 1.4463 0.9051 H 1 noname 0.2212 6 H2 -0.9117 -1.5791 1.0277 H 1 noname 0.0336 7 H3 -1.6824 -1.1341 -0.5138 H 1 noname 0.0336 8 H4 -0.1409 -2.0240 -0.5138 H 1 noname 0.0336 @BOND 1 1 2 2 2 2 3 1 3 2 4 1 4 3 5 1 5 4 6 1 6 4 7 1 7 4 8 1 @SUBSTRUCTURE 1 noname 1