# 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 SAP SAP 'MONOTHIOPHOSPHAT ' non-polymer 47 31 M # data_comp_SAP # 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 SAP PG P . 0.000 SAP S1G S . 0.000 SAP O2G O . 0.000 SAP O3G O . 0.000 SAP PB P . 0.000 SAP O1B O . 0.000 SAP O2B O . 0.000 SAP O3B O . 0.000 SAP PA P . 0.000 SAP O1A O . 0.000 SAP O2A O . 0.000 SAP O3A O . 0.000 SAP O5* O . 0.000 SAP C5* C . 0.000 SAP C4* C . 0.000 SAP O4* O . 0.000 SAP C3* C . 0.000 SAP O3* O . 0.000 SAP C2* C . 0.000 SAP O2* O . 0.000 SAP C1* C . 0.000 SAP N9 N . 0.000 SAP C8 C . 0.000 SAP N7 N . 0.000 SAP C5 C . 0.000 SAP C6 C . 0.000 SAP N6 N . 0.000 SAP N1 N . 0.000 SAP C2 C . 0.000 SAP N3 N . 0.000 SAP C4 C . 0.000 SAP HOG2 H . 0.000 SAP HOG3 H . 0.000 SAP HOB2 H . 0.000 SAP HOA2 H . 0.000 SAP H5*1 H . 0.000 SAP H5*2 H . 0.000 SAP H4* H . 0.000 SAP H3* H . 0.000 SAP HO3* H . 0.000 SAP H2* H . 0.000 SAP HO2* H . 0.000 SAP H1* H . 0.000 SAP H8 H . 0.000 SAP H2 H . 0.000 SAP HN61 H . 0.000 SAP HN62 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 SAP PG O3B single SAP PG S1G double SAP PG O2G single SAP PG O3G single SAP O2G HOG2 single SAP O3G HOG3 single SAP PB O1B double SAP PB O2B single SAP PB O3B single SAP PB O3A single SAP O2B HOB2 single SAP PA O1A double SAP PA O2A single SAP PA O3A single SAP PA O5* single SAP O2A HOA2 single SAP O5* C5* single SAP C5* C4* single SAP C5* H5*1 single SAP C5* H5*2 single SAP C4* O4* single SAP C4* C3* single SAP C4* H4* single SAP O4* C1* single SAP C3* O3* single SAP C3* C2* single SAP C3* H3* single SAP O3* HO3* single SAP C2* O2* single SAP C2* C1* single SAP C2* H2* single SAP O2* HO2* single SAP C1* N9 single SAP C1* H1* single SAP N9 C8 single SAP N9 C4 single SAP C8 N7 double SAP C8 H8 single SAP N7 C5 single SAP C5 C6 single SAP C5 C4 double SAP C6 N6 single SAP C6 N1 double SAP N6 HN61 single SAP N6 HN62 single SAP N1 C2 single SAP C2 N3 double SAP C2 H2 single SAP N3 C4 single