# Species Formula 879 N,N-diethylureaC5H12N2O 880 CEB (Torsion angle) (Geo)C13H12N2O 881 1D88_B3P (Torsion angle) (Geo)C14H14N2O 882 4-Amino-2(1H)-pyrimidinoneC4H5N3O 883 2ME_B3P (Torsion angle) (Geo)C22H26N4O 884 Oxygen (Singlet)O2 885 Hydrogen peroxide (Geo)H2O2 886 Hydrogen peroxideH2O2 887 Carbon dioxideCO2 888 Carbon dioxide (Geo)CO2 889 Formate, anion HCO2 890 Formic acidCH2O2 891 Formic acid (Geo)CH2O2 892 trans Glyoxal (Geo)C2H2O2 893 trans GlyoxalC2H2O2 894 Acetate, anionC2H3O2 895 Acetic acidC2H4O2 896 Methyl formate (Geo)C2H4O2 897 Methyl formateC2H4O2 898 Dimethyl peroxideC2H6O2 899 Ethylene glycolC2H6O2
CHARGE=-1 Formate, anion H=-106.6 HR=BM1979 O 0.00000000 +0 0.0000000 +0 0.0000000 +0 0 0 0 C 1.24391531 +1 0.0000000 +0 0.0000000 +0 1 0 0 O 1.24414167 +1 127.7944379 +1 0.0000000 +0 2 1 0 H 1.10811448 +1 116.2646287 +1 180.0000000 +1 2 1 3