# 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 MNQ MNQ 'M-NITROPHENYL AMINOETHYLDIPHOSPHATE ' non-polymer 36 25 M # data_comp_MNQ # 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 MNQ BE BE . 0.000 MNQ F1 F . 0.000 MNQ F2 F . 0.000 MNQ F3 F . 0.000 MNQ PB P . 0.000 MNQ OB1 O . 0.000 MNQ OB2 O . 0.000 MNQ OB3 O . 0.000 MNQ OA3 O . 0.000 MNQ PA P . 0.000 MNQ OA1 O . 0.000 MNQ OA2 O . 0.000 MNQ OE2 O . 0.000 MNQ NA3 N . 0.000 MNQ CA2 C . 0.000 MNQ CA1 C . 0.000 MNQ C1 C . 0.000 MNQ C6 C . 0.000 MNQ C5 C . 0.000 MNQ C4 C . 0.000 MNQ C3 C . 0.000 MNQ C2 C . 0.000 MNQ N3 N . 0.000 MNQ O3A O . 0.000 MNQ O3B O . 0.000 MNQ HOB2 H . 0.000 MNQ HOA2 H . 0.000 MNQ HA11 H . 0.000 MNQ HA12 H . 0.000 MNQ HA21 H . 0.000 MNQ HA22 H . 0.000 MNQ HNA1 H . 0.000 MNQ H6 H . 0.000 MNQ H5 H . 0.000 MNQ H4 H . 0.000 MNQ H2 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 MNQ BE F1 single MNQ BE F2 single MNQ BE F3 single MNQ BE OB3 single MNQ PB OB1 double MNQ PB OB2 single MNQ PB OB3 single MNQ PB OA3 single MNQ OB2 HOB2 single MNQ OA3 PA single MNQ PA OA1 single MNQ PA OA2 double MNQ PA OE2 single MNQ OA1 HOA2 single MNQ OE2 CA1 single MNQ NA3 CA2 single MNQ NA3 C1 single MNQ NA3 HNA1 single MNQ CA2 CA1 single MNQ CA2 HA21 single MNQ CA2 HA22 single MNQ CA1 HA11 single MNQ CA1 HA12 single MNQ C1 C6 double MNQ C1 C2 single MNQ C6 C5 single MNQ C6 H6 single MNQ C5 C4 double MNQ C5 H5 single MNQ C4 C3 single MNQ C4 H4 single MNQ C3 C2 double MNQ C3 N3 single MNQ C2 H2 single MNQ N3 O3A double MNQ N3 O3B double