# 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 ATR ATR '2"-MONOPHOSPHOADENOSINE-5"-DIPHOSPHA' non-polymer 47 31 M # data_comp_ATR # 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 ATR PB P . 0.000 ATR O1B O . 0.000 ATR O2B O . 0.000 ATR O3B O . 0.000 ATR PA P . 0.000 ATR O1A O . 0.000 ATR O2A O . 0.000 ATR O3A O . 0.000 ATR O5* O . 0.000 ATR C5* C . 0.000 ATR C4* C . 0.000 ATR O4* O . 0.000 ATR C3* C . 0.000 ATR O3* O . 0.000 ATR C2* C . 0.000 ATR O2* O . 0.000 ATR P2* P . 0.000 ATR O1P O . 0.000 ATR O2P O . 0.000 ATR O3P O . 0.000 ATR C1* C . 0.000 ATR N9 N . 0.000 ATR C8 C . 0.000 ATR N7 N . 0.000 ATR C5 C . 0.000 ATR C6 C . 0.000 ATR N6 N . 0.000 ATR N1 N . 0.000 ATR C2 C . 0.000 ATR N3 N . 0.000 ATR C4 C . 0.000 ATR HOA2 H . 0.000 ATR HOB2 H . 0.000 ATR HOB3 H . 0.000 ATR H5*1 H . 0.000 ATR H5*2 H . 0.000 ATR H4* H . 0.000 ATR H3* H . 0.000 ATR HO3* H . 0.000 ATR H2* H . 0.000 ATR HOP2 H . 0.000 ATR HOP3 H . 0.000 ATR H1* H . 0.000 ATR H8 H . 0.000 ATR HN61 H . 0.000 ATR HN62 H . 0.000 ATR 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 ATR PB O1B double ATR PB O2B single ATR PB O3B single ATR PB O3A single ATR O2B HOB2 single ATR O3B HOB3 single ATR PA O1A double ATR PA O2A single ATR PA O3A single ATR PA O5* single ATR O2A HOA2 single ATR O5* C5* single ATR C5* C4* single ATR C5* H5*1 single ATR C5* H5*2 single ATR C4* O4* single ATR C4* C3* single ATR C4* H4* single ATR O4* C1* single ATR C3* O3* single ATR C3* C2* single ATR C3* H3* single ATR O3* HO3* single ATR C2* O2* single ATR C2* C1* single ATR C2* H2* single ATR O2* P2* single ATR P2* O1P double ATR P2* O2P single ATR P2* O3P single ATR O2P HOP2 single ATR O3P HOP3 single ATR C1* N9 single ATR C1* H1* single ATR N9 C8 single ATR N9 C4 single ATR C8 N7 double ATR C8 H8 single ATR N7 C5 single ATR C5 C6 single ATR C5 C4 double ATR C6 N6 single ATR C6 N1 double ATR N6 HN61 single ATR N6 HN62 single ATR N1 C2 single ATR C2 N3 double ATR C2 H2 single ATR N3 C4 single