# 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 PUA PUA 'ADENYLATE-3"-PHOSPHATE-[[2"-DEOXY-UR' non-polymer 77 50 M # data_comp_PUA # 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 PUA PA P . 0.000 PUA O1A O . 0.000 PUA O2A O . 0.000 PUA O5* O . 0.000 PUA PB P . 0.000 PUA O1B O . 0.000 PUA O2B O . 0.000 PUA O3A O . 0.000 PUA PG P . 0.000 PUA O1G O . 0.000 PUA O2G O . 0.000 PUA O3G O . 0.000 PUA N9A N . 0.000 PUA C4A C . 0.000 PUA N3A N . 0.000 PUA C2A C . 0.000 PUA N1A N . 0.000 PUA C6A C . 0.000 PUA N6A N . 0.000 PUA C5A C . 0.000 PUA N7A N . 0.000 PUA C8A C . 0.000 PUA C5* C . 0.000 PUA C4* C . 0.000 PUA O4* O . 0.000 PUA C1* C . 0.000 PUA C2* C . 0.000 PUA O2* O . 0.000 PUA C3* C . 0.000 PUA O3* O . 0.000 PUA O5 O . 0.000 PUA C5 C . 0.000 PUA C4 C . 0.000 PUA O4 O . 0.000 PUA C1 C . 0.000 PUA C2 C . 0.000 PUA C3 C . 0.000 PUA O3 O . 0.000 PUA PD P . 0.000 PUA O1D O . 0.000 PUA O2D O . 0.000 PUA O3D O . 0.000 PUA N1U N . 0.000 PUA C6U C . 0.000 PUA C2U C . 0.000 PUA O2U O . 0.000 PUA N3U N . 0.000 PUA C4U C . 0.000 PUA O4U O . 0.000 PUA C5U C . 0.000 PUA HD1 H . 0.000 PUA HD2 H . 0.000 PUA H51 H . 0.000 PUA H52 H . 0.000 PUA H4 H . 0.000 PUA H3 H . 0.000 PUA H21 H . 0.000 PUA H22 H . 0.000 PUA H1 H . 0.000 PUA H6U H . 0.000 PUA H5U H . 0.000 PUA H3U H . 0.000 PUA H1B H . 0.000 PUA H1A H . 0.000 PUA H5*1 H . 0.000 PUA H5*2 H . 0.000 PUA H4* H . 0.000 PUA H3* H . 0.000 PUA H2* H . 0.000 PUA HO2* H . 0.000 PUA H1* H . 0.000 PUA H1G H . 0.000 PUA H2G H . 0.000 PUA H2A H . 0.000 PUA H6A1 H . 0.000 PUA H6A2 H . 0.000 PUA H8A 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 PUA PA O1A single PUA PA O2A double PUA PA O5* single PUA PA O3A single PUA O1A H1A single PUA O5* C5* single PUA PB O1B single PUA PB O2B double PUA PB O3A single PUA PB O3 single PUA O1B H1B single PUA PG O1G single PUA PG O2G single PUA PG O3G double PUA PG O3* single PUA O1G H1G single PUA O2G H2G single PUA N9A C4A single PUA N9A C8A single PUA N9A C1* single PUA C4A N3A single PUA C4A C5A double PUA N3A C2A double PUA C2A N1A single PUA C2A H2A single PUA N1A C6A double PUA C6A N6A single PUA C6A C5A single PUA N6A H6A1 single PUA N6A H6A2 single PUA C5A N7A single PUA N7A C8A double PUA C8A H8A single PUA C5* C4* single PUA C5* H5*1 single PUA C5* H5*2 single PUA C4* O4* single PUA C4* C3* single PUA C4* H4* single PUA O4* C1* single PUA C1* C2* single PUA C1* H1* single PUA C2* O2* single PUA C2* C3* single PUA C2* H2* single PUA O2* HO2* single PUA C3* O3* single PUA C3* H3* single PUA O5 C5 single PUA O5 PD single PUA C5 C4 single PUA C5 H51 single PUA C5 H52 single PUA C4 O4 single PUA C4 C3 single PUA C4 H4 single PUA O4 C1 single PUA C1 C2 single PUA C1 N1U single PUA C1 H1 single PUA C2 C3 single PUA C2 H21 single PUA C2 H22 single PUA C3 O3 single PUA C3 H3 single PUA PD O1D single PUA PD O2D single PUA PD O3D double PUA O1D HD1 single PUA O2D HD2 single PUA N1U C6U single PUA N1U C2U single PUA C6U C5U double PUA C6U H6U single PUA C2U O2U double PUA C2U N3U single PUA N3U C4U single PUA N3U H3U single PUA C4U O4U double PUA C4U C5U single PUA C5U H5U single