@MOLECULE 73415762 6 5 1 SMALL USER_CHARGES @ATOM 1 O1 1.3500 0.0000 0.0000 O.3 1 noname -0.1823 2 O2 -0.6750 1.1691 0.0000 O.3 1 noname -0.1823 3 O3 -0.6250 -1.0825 0.0000 O.2 1 noname -0.2130 4 C1 0.0000 0.0000 0.0000 C.2 1 noname 0.1299 5 H1 1.6700 0.0000 0.9051 H 1 noname 0.2238 6 H2 -0.8350 1.4463 0.9051 H 1 noname 0.2238 @BOND 1 1 4 1 2 2 4 1 3 3 4 2 4 1 5 1 5 2 6 1 @SUBSTRUCTURE 1 noname 1