12 C 0.658552 -0.522359 2.90359 C -1.05123 0.892839 1.46038 C -1.1553 0.742362 -1.64296 C 0.944469 -0.534302 -2.71512 O 0.610518 -0.95707 3.96533 O -2.09883 1.34069 1.5854 O -2.22578 1.0051 -1.95222 O 1.25783 -1.12307 -3.65156 S -0.38756 -1.37637 0.000527367 S 2.38995 0.026642 -0.0228089 Fe 0.559053 0.213305 1.29563 Fe 0.498324 0.292245 -1.2262