# 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 3GA 3GA '3-PIPERIDYL-N-GUANIDINO-L-ALANINE ' non-polymer 33 15 M # data_comp_3GA # 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 3GA C2 C . 0.000 3GA C3 C . 0.000 3GA N N . 0.000 3GA CA C . 0.000 3GA C C . 0.000 3GA O O . 0.000 3GA OXT O . 0.000 3GA CB C . 0.000 3GA CZ C . 0.000 3GA NE N . 0.000 3GA C1 C . 0.000 3GA CG C . 0.000 3GA CD C . 0.000 3GA NH1 N . 0.000 3GA NH2 N . 0.000 3GA H21 H . 0.000 3GA H22 H . 0.000 3GA H31 H . 0.000 3GA H32 H . 0.000 3GA HN1 H . 0.000 3GA HN2 H . 0.000 3GA HA H . 0.000 3GA HXT H . 0.000 3GA HB1 H . 0.000 3GA HB2 H . 0.000 3GA H11 H . 0.000 3GA H12 H . 0.000 3GA HG H . 0.000 3GA HD1 H . 0.000 3GA HD2 H . 0.000 3GA H_N1 H . 0.000 3GA HN21 H . 0.000 3GA 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 3GA C2 C3 single 3GA C2 C1 single 3GA C2 H21 single 3GA C2 H22 single 3GA C3 NE single 3GA C3 H31 single 3GA C3 H32 single 3GA N CA single 3GA N HN1 single 3GA N HN2 single 3GA CA C single 3GA CA CB single 3GA CA HA single 3GA C O double 3GA C OXT single 3GA OXT HXT single 3GA CB CG single 3GA CB HB1 single 3GA CB HB2 single 3GA CZ NE single 3GA CZ NH1 double 3GA CZ NH2 single 3GA NE CD single 3GA C1 CG single 3GA C1 H11 single 3GA C1 H12 single 3GA CG CD single 3GA CG HG single 3GA CD HD1 single 3GA CD HD2 single 3GA NH1 H_N1 single 3GA NH2 HN21 single 3GA NH2 HN22 single