# 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 GA2 GA2 '9-(1,3-DIHYDROXY-PROPOXYMETHANE)GUAN' non-polymer 31 18 M # data_comp_GA2 # 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 GA2 N1 N . 0.000 GA2 C2 C . 0.000 GA2 C4 C . 0.000 GA2 C8 C . 0.000 GA2 C4* C . 0.000 GA2 O4* O . 0.000 GA2 C3* C . 0.000 GA2 O3* O . 0.000 GA2 C2* C . 0.000 GA2 O1* O . 0.000 GA2 C1* C . 0.000 GA2 N9 N . 0.000 GA2 N3 N . 0.000 GA2 N2 N . 0.000 GA2 C6 C . 0.000 GA2 O6 O . 0.000 GA2 C5 C . 0.000 GA2 N7 N . 0.000 GA2 HN1 H . 0.000 GA2 H8 H . 0.000 GA2 H4*1 H . 0.000 GA2 H4*2 H . 0.000 GA2 HO4* H . 0.000 GA2 H3*1 H . 0.000 GA2 H3*2 H . 0.000 GA2 HO3* H . 0.000 GA2 H2* H . 0.000 GA2 H1*1 H . 0.000 GA2 H1*2 H . 0.000 GA2 HN21 H . 0.000 GA2 HN22 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 GA2 N1 C2 single GA2 N1 C6 single GA2 N1 HN1 single GA2 C2 N3 double GA2 C2 N2 single GA2 C4 N9 single GA2 C4 N3 single GA2 C4 C5 double GA2 C8 N9 single GA2 C8 N7 double GA2 C8 H8 single GA2 C4* O4* single GA2 C4* C2* single GA2 C4* H4*1 single GA2 C4* H4*2 single GA2 O4* HO4* single GA2 C3* O3* single GA2 C3* C2* single GA2 C3* H3*1 single GA2 C3* H3*2 single GA2 O3* HO3* single GA2 C2* O1* single GA2 C2* H2* single GA2 O1* C1* single GA2 C1* N9 single GA2 C1* H1*1 single GA2 C1* H1*2 single GA2 N2 HN21 single GA2 N2 HN22 single GA2 C6 O6 double GA2 C6 C5 single GA2 C5 N7 single