# data_comp_list loop_ _chem_comp.id _chem_comp.three_letter_code _chem_comp.name _chem_comp.group _chem_comp.number_atoms_all _chem_comp.number_atoms_nh _chem_comp.desc_level DAQ DAQ 'O,P-DINITROPHENYL AMINOPROPYLDIPHOSP' non-polymer 41 29 M # data_comp_DAQ # loop_ _chem_comp_atom.comp_id _chem_comp_atom.atom_id _chem_comp_atom.type_symbol _chem_comp_atom.type_energy _chem_comp_atom.partial_charge DAQ BE BE . 0.000 DAQ F1 F . 0.000 DAQ F2 F . 0.000 DAQ F3 F . 0.000 DAQ PB P . 0.000 DAQ OB1 O . 0.000 DAQ OB2 O . 0.000 DAQ OB3 O . 0.000 DAQ OA3 O . 0.000 DAQ PA P . 0.000 DAQ OA1 O . 0.000 DAQ OA2 O . 0.000 DAQ OE2 O . 0.000 DAQ NA3 N . 0.000 DAQ CA2 C . 0.000 DAQ CA1 C . 0.000 DAQ C1 C . 0.000 DAQ C6 C . 0.000 DAQ C5 C . 0.000 DAQ C4 C . 0.000 DAQ C3 C . 0.000 DAQ C2 C . 0.000 DAQ N4 N . 0.000 DAQ O4A O . 0.000 DAQ O4B O . 0.000 DAQ N2 N . 0.000 DAQ O2A O . 0.000 DAQ O2B O . 0.000 DAQ CA3 C . 0.000 DAQ HOB2 H . 0.000 DAQ HOA2 H . 0.000 DAQ HA11 H . 0.000 DAQ HA12 H . 0.000 DAQ HA21 H . 0.000 DAQ HA22 H . 0.000 DAQ HA31 H . 0.000 DAQ HA32 H . 0.000 DAQ HNA1 H . 0.000 DAQ H6 H . 0.000 DAQ H5 H . 0.000 DAQ H3 H . 0.000 loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type DAQ BE F1 single DAQ BE F2 single DAQ BE F3 single DAQ BE OB3 single DAQ PB OB1 double DAQ PB OB2 single DAQ PB OB3 single DAQ PB OA3 single DAQ OB2 HOB2 single DAQ OA3 PA single DAQ PA OA1 single DAQ PA OA2 double DAQ PA OE2 single DAQ OA1 HOA2 single DAQ OE2 CA1 single DAQ NA3 CA3 single DAQ NA3 C1 single DAQ NA3 HNA1 single DAQ CA2 CA3 single DAQ CA2 CA1 single DAQ CA2 HA21 single DAQ CA2 HA22 single DAQ CA1 HA11 single DAQ CA1 HA12 single DAQ C1 C6 double DAQ C1 C2 single DAQ C6 C5 single DAQ C6 H6 single DAQ C5 C4 double DAQ C5 H5 single DAQ C4 C3 single DAQ C4 N4 single DAQ C3 C2 double DAQ C3 H3 single DAQ C2 N2 single DAQ N4 O4A double DAQ N4 O4B double DAQ N2 O2A double DAQ N2 O2B double DAQ CA3 HA31 single DAQ CA3 HA32 single