# 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 PPG PPG '4-(2-AMINO-ETHOXY)-2-[(3-HYDROXY-2-M' non-polymer 48 26 M # data_comp_PPG # 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 PPG N1 N . 0.000 PPG C2 C . 0.000 PPG C2A C . 0.000 PPG C3 C . 0.000 PPG O3 O . 0.000 PPG C4 C . 0.000 PPG C4A C . 0.000 PPG C5 C . 0.000 PPG C6 C . 0.000 PPG C5A C . 0.000 PPG OP4 O . 0.000 PPG P P . 0.000 PPG OP1 O . 0.000 PPG OP2 O . 0.000 PPG OP3 O . 0.000 PPG N4A N . 0.000 PPG CAI C . 0.000 PPG CBC C . 0.000 PPG O2B O . 0.000 PPG O3B O . 0.000 PPG CBI C . 0.000 PPG CGI C . 0.000 PPG OET O . 0.000 PPG CEI C . 0.000 PPG CFI C . 0.000 PPG NI N . 0.000 PPG HBI H . 0.000 PPG HGI H . 0.000 PPG HN4 H . 0.000 PPG H2A1 H . 0.000 PPG H2A2 H . 0.000 PPG H2A3 H . 0.000 PPG HO3 H . 0.000 PPG H4A1 H . 0.000 PPG H4A2 H . 0.000 PPG H6 H . 0.000 PPG H5A1 H . 0.000 PPG H5A2 H . 0.000 PPG HOP2 H . 0.000 PPG HOP3 H . 0.000 PPG HAI H . 0.000 PPG HOB3 H . 0.000 PPG HEI1 H . 0.000 PPG HEI2 H . 0.000 PPG HFI1 H . 0.000 PPG HFI2 H . 0.000 PPG HNI1 H . 0.000 PPG HNI2 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 PPG N1 C2 double PPG N1 C6 single PPG C2 C2A single PPG C2 C3 single PPG C2A H2A1 single PPG C2A H2A2 single PPG C2A H2A3 single PPG C3 O3 single PPG C3 C4 double PPG O3 HO3 single PPG C4 C4A single PPG C4 C5 single PPG C4A N4A single PPG C4A H4A1 single PPG C4A H4A2 single PPG C5 C6 double PPG C5 C5A single PPG C6 H6 single PPG C5A OP4 single PPG C5A H5A1 single PPG C5A H5A2 single PPG OP4 P single PPG P OP3 single PPG P OP2 single PPG P OP1 double PPG OP2 HOP2 single PPG OP3 HOP3 single PPG N4A HN4 single PPG N4A CAI single PPG CAI CBC single PPG CAI CBI single PPG CAI HAI single PPG CBC O2B double PPG CBC O3B single PPG O3B HOB3 single PPG CBI HBI single PPG CBI CGI double PPG CGI HGI single PPG CGI OET single PPG OET CEI single PPG CEI CFI single PPG CEI HEI1 single PPG CEI HEI2 single PPG CFI NI single PPG CFI HFI1 single PPG CFI HFI2 single PPG NI HNI1 single PPG NI HNI2 single