@MOLECULE hydroxyferriooxyiron 5 4 0 0 0 SMALL GASTEIGER @ATOM 1 FE -1.8755 0.2329 -0.0001 Fe 1 UNL1111 0.5455 2 O -0.3770 -0.9296 -0.0001 O.3 1 UNL1111 -0.8752 3 FE 1.1475 -0.1569 0.0002 Fe 1 UNL1111 0.7430 4 O 2.6940 0.6498 0.0006 O.3 1 UNL1111 -0.8259 5 H 3.5553 0.2320 -0.0157 H 1 UNL1111 0.4126 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1