# 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 SFG SFG 'ADENOSYL-ORNITHINE ' non-polymer 50 27 M # data_comp_SFG # 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 SFG N N . 0.000 SFG CA C . 0.000 SFG C C . 0.000 SFG O O . 0.000 SFG OXT O . 0.000 SFG CB C . 0.000 SFG CG C . 0.000 SFG CD C . 0.000 SFG NE N . 0.000 SFG C5* C . 0.000 SFG C4* C . 0.000 SFG O4* O . 0.000 SFG C3* C . 0.000 SFG O3* O . 0.000 SFG C2* C . 0.000 SFG O2* O . 0.000 SFG C1* C . 0.000 SFG N9 N . 0.000 SFG C8 C . 0.000 SFG N7 N . 0.000 SFG C5 C . 0.000 SFG C6 C . 0.000 SFG N6 N . 0.000 SFG N1 N . 0.000 SFG C2 C . 0.000 SFG N3 N . 0.000 SFG C4 C . 0.000 SFG HN1 H . 0.000 SFG HN2 H . 0.000 SFG HA H . 0.000 SFG HXT H . 0.000 SFG HB1 H . 0.000 SFG HB2 H . 0.000 SFG HG1 H . 0.000 SFG HG2 H . 0.000 SFG HD H . 0.000 SFG HNE1 H . 0.000 SFG HNE2 H . 0.000 SFG H5*1 H . 0.000 SFG H5*2 H . 0.000 SFG H4* H . 0.000 SFG H3* H . 0.000 SFG HO3* H . 0.000 SFG H2* H . 0.000 SFG HO2* H . 0.000 SFG H1* H . 0.000 SFG H8 H . 0.000 SFG HN61 H . 0.000 SFG HN62 H . 0.000 SFG H2 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 SFG N CA single SFG N HN1 single SFG N HN2 single SFG CA C single SFG CA CB single SFG CA HA single SFG C O double SFG C OXT single SFG OXT HXT single SFG CB CG single SFG CB HB1 single SFG CB HB2 single SFG CG CD single SFG CG HG1 single SFG CG HG2 single SFG CD NE single SFG CD C5* single SFG CD HD single SFG NE HNE1 single SFG NE HNE2 single SFG C5* C4* single SFG C5* H5*1 single SFG C5* H5*2 single SFG C4* O4* single SFG C4* C3* single SFG C4* H4* single SFG O4* C1* single SFG C3* O3* single SFG C3* C2* single SFG C3* H3* single SFG O3* HO3* single SFG C2* O2* single SFG C2* C1* single SFG C2* H2* single SFG O2* HO2* single SFG C1* N9 single SFG C1* H1* single SFG N9 C8 single SFG N9 C4 single SFG C8 N7 double SFG C8 H8 single SFG N7 C5 single SFG C5 C6 single SFG C5 C4 double SFG C6 N6 single SFG C6 N1 double SFG N6 HN61 single SFG N6 HN62 single SFG N1 C2 single SFG C2 N3 double SFG C2 H2 single SFG N3 C4 single