# 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 IPD IPD 'D-MYO-INOSITOL-1-PHOSPHATE ' non-polymer 27 16 M # data_comp_IPD # 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 IPD C1 C . 0.000 IPD C2 C . 0.000 IPD C3 C . 0.000 IPD C4 C . 0.000 IPD C5 C . 0.000 IPD C6 C . 0.000 IPD P1 P . 0.000 IPD O1 O . 0.000 IPD O2 O . 0.000 IPD O3 O . 0.000 IPD O4 O . 0.000 IPD O5 O . 0.000 IPD O6 O . 0.000 IPD O7 O . 0.000 IPD O8 O . -1.000 IPD O9 O . -1.000 IPD H1 H . 0.000 IPD H2 H . 0.000 IPD H3 H . 0.000 IPD H4 H . 0.000 IPD H5 H . 0.000 IPD H6 H . 0.000 IPD HO2 H . 0.000 IPD HO3 H . 0.000 IPD HO4 H . 0.000 IPD HO5 H . 0.000 IPD HO6 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 IPD C1 C2 single IPD C1 C6 single IPD C1 O1 single IPD C1 H1 single IPD C2 C3 single IPD C2 O2 single IPD C2 H2 single IPD C3 C4 single IPD C3 O3 single IPD C3 H3 single IPD C4 C5 single IPD C4 O4 single IPD C4 H4 single IPD C5 C6 single IPD C5 O5 single IPD C5 H5 single IPD C6 O6 single IPD C6 H6 single IPD P1 O1 single IPD P1 O7 double IPD P1 O8 single IPD P1 O9 single IPD O2 HO2 single IPD O3 HO3 single IPD O4 HO4 single IPD O5 HO5 single IPD O6 HO6 single