# 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 GSS GSS 'MONOPHOSPHAT ' non-polymer 54 32 M # data_comp_GSS # 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 GSS P P . 0.000 GSS O1P O . 0.000 GSS O2P O . 0.000 GSS O3P O . 0.000 GSS O5* O . 0.000 GSS C5* C . 0.000 GSS C4* C . 0.000 GSS O4* O . 0.000 GSS C3* C . 0.000 GSS O3* O . 0.000 GSS C2* C . 0.000 GSS C1* C . 0.000 GSS N9 N . 0.000 GSS C8 C . 0.000 GSS N7 N . 0.000 GSS C5 C . 0.000 GSS C6 C . 0.000 GSS O6 O . 0.000 GSS N1 N . 0.000 GSS C2 C . 0.000 GSS N2 N . 0.000 GSS N3 N . 0.000 GSS C4 C . 0.000 GSS CA C . 0.000 GSS CB C . 0.000 GSS OB O . 0.000 GSS CJ C . 0.000 GSS CO C . 0.000 GSS 'CO'' C . 0.000 GSS CM C . 0.000 GSS 'CM'' C . 0.000 GSS CP C . 0.000 GSS HOP3 H . 0.000 GSS HOP2 H . 0.000 GSS H1* H . 0.000 GSS H2*1 H . 0.000 GSS H2*2 H . 0.000 GSS H3* H . 0.000 GSS H4* H . 0.000 GSS HO3* H . 0.000 GSS H5*1 H . 0.000 GSS H5*2 H . 0.000 GSS H8 H . 0.000 GSS H1 H . 0.000 GSS H2 H . 0.000 GSS HA H . 0.000 GSS HB1 H . 0.000 GSS HB2 H . 0.000 GSS HB H . 0.000 GSS HO H . 0.000 GSS 'HO'' H . 0.000 GSS HM H . 0.000 GSS 'HM'' H . 0.000 GSS HP 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 GSS P O1P double GSS P O2P single GSS P O3P single GSS P O5* single GSS O2P HOP2 single GSS O3P HOP3 single GSS O5* C5* single GSS C5* C4* single GSS C5* H5*1 single GSS C5* H5*2 single GSS C4* O4* single GSS C4* C3* single GSS C4* H4* single GSS O4* C1* single GSS C3* O3* single GSS C3* C2* single GSS C3* H3* single GSS O3* HO3* single GSS C2* C1* single GSS C2* H2*1 single GSS C2* H2*2 single GSS C1* N9 single GSS C1* H1* single GSS N9 C8 single GSS N9 C4 single GSS C8 N7 double GSS C8 H8 single GSS N7 C5 single GSS C5 C6 single GSS C5 C4 double GSS C6 O6 double GSS C6 N1 single GSS N1 C2 single GSS N1 H1 single GSS C2 N2 single GSS C2 N3 double GSS N2 H2 single GSS N2 CA single GSS N3 C4 single GSS CA CB single GSS CA CJ single GSS CA HA single GSS CB OB single GSS CB HB1 single GSS CB HB2 single GSS OB HB single GSS CJ CO double GSS CJ 'CO'' single GSS CO CM single GSS CO HO single GSS 'CO'' 'CM'' double GSS 'CO'' 'HO'' single GSS CM CP double GSS CM HM single GSS 'CM'' CP single GSS 'CM'' 'HM'' single GSS CP HP single