# 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 PST PST 'THYMIDINE-5"-THIOPHOSPHATE ' non-polymer 36 21 M # data_comp_PST # 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 PST P P . 0.000 PST O1P O . 0.000 PST O2P O . 0.000 PST SP S . 0.000 PST O5* O . 0.000 PST C5* C . 0.000 PST C4* C . 0.000 PST O4* O . 0.000 PST C3* C . 0.000 PST O3* O . 0.000 PST C2* C . 0.000 PST C1* C . 0.000 PST N1 N . 0.000 PST C2 C . 0.000 PST O2 O . 0.000 PST N3 N . 0.000 PST C4 C . 0.000 PST O4 O . 0.000 PST C5 C . 0.000 PST C5M C . 0.000 PST C6 C . 0.000 PST HOP1 H . 0.000 PST HOP2 H . 0.000 PST H5*1 H . 0.000 PST H5*2 H . 0.000 PST H4* H . 0.000 PST H3* H . 0.000 PST HO3 H . 0.000 PST H2*1 H . 0.000 PST H2*2 H . 0.000 PST H1* H . 0.000 PST HN3 H . 0.000 PST H5M1 H . 0.000 PST H5M2 H . 0.000 PST H5M3 H . 0.000 PST H6 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 PST P O1P single PST P O2P single PST P SP double PST P O5* single PST O1P HOP1 single PST O2P HOP2 single PST O5* C5* single PST C5* C4* single PST C5* H5*1 single PST C5* H5*2 single PST C4* O4* single PST C4* C3* single PST C4* H4* single PST O4* C1* single PST C3* O3* single PST C3* C2* single PST C3* H3* single PST O3* HO3 single PST C2* C1* single PST C2* H2*1 single PST C2* H2*2 single PST C1* N1 single PST C1* H1* single PST N1 C2 single PST N1 C6 single PST C2 O2 double PST C2 N3 single PST N3 C4 single PST N3 HN3 single PST C4 O4 double PST C4 C5 single PST C5 C5M single PST C5 C6 double PST C5M H5M1 single PST C5M H5M2 single PST C5M H5M3 single PST C6 H6 single