# 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 I3P I3P 'D-MYO-INOSITOL-1,4,5-TRIPHOSPHATE ' non-polymer 39 24 M # data_comp_I3P # 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 I3P C1 C . 0.000 I3P C2 C . 0.000 I3P C3 C . 0.000 I3P C4 C . 0.000 I3P C5 C . 0.000 I3P C6 C . 0.000 I3P O1 O . 0.000 I3P O2 O . 0.000 I3P O3 O . 0.000 I3P O4 O . 0.000 I3P O5 O . 0.000 I3P O6 O . 0.000 I3P P1 P . 0.000 I3P O11 O . 0.000 I3P O12 O . 0.000 I3P O13 O . 0.000 I3P P4 P . 0.000 I3P O41 O . 0.000 I3P O42 O . 0.000 I3P O43 O . 0.000 I3P P5 P . 0.000 I3P O51 O . 0.000 I3P O52 O . 0.000 I3P O53 O . 0.000 I3P H1 H . 0.000 I3P H2 H . 0.000 I3P H3 H . 0.000 I3P H4 H . 0.000 I3P H5 H . 0.000 I3P H6 H . 0.000 I3P HO2 H . 0.000 I3P HO3 H . 0.000 I3P HO6 H . 0.000 I3P HO12 H . 0.000 I3P HO13 H . 0.000 I3P HO42 H . 0.000 I3P HO43 H . 0.000 I3P HO52 H . 0.000 I3P HO53 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 I3P C1 C2 single I3P C1 C6 single I3P C1 O1 single I3P C1 H1 single I3P C2 C3 single I3P C2 O2 single I3P C2 H2 single I3P C3 C4 single I3P C3 O3 single I3P C3 H3 single I3P C4 C5 single I3P C4 O4 single I3P C4 H4 single I3P C5 C6 single I3P C5 O5 single I3P C5 H5 single I3P C6 O6 single I3P C6 H6 single I3P O1 P1 single I3P O2 HO2 single I3P O3 HO3 single I3P O4 P4 single I3P O5 P5 single I3P O6 HO6 single I3P P1 O11 double I3P P1 O12 single I3P P1 O13 single I3P O12 HO12 single I3P O13 HO13 single I3P P4 O41 double I3P P4 O42 single I3P P4 O43 single I3P O42 HO42 single I3P O43 HO43 single I3P P5 O51 double I3P P5 O52 single I3P P5 O53 single I3P O52 HO52 single I3P O53 HO53 single