# 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 GCL GCL '1-CYCLOHEXYL-2-AMINO-3,4-DIHYDROXY-6' non-polymer 46 17 M # data_comp_GCL # 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 GCL C1 C . 0.000 GCL C2 C . 0.000 GCL C3 C . 0.000 GCL C4 C . 0.000 GCL C5 C . 0.000 GCL C6 C . 0.000 GCL C7 C . 0.000 GCL C8 C . 0.000 GCL 'C1'' C . 0.000 GCL 'C2'' C . 0.000 GCL 'C3'' C . 0.000 GCL 'C4'' C . 0.000 GCL 'C5'' C . 0.000 GCL 'C6'' C . 0.000 GCL N2 N . 0.000 GCL O3 O . 0.000 GCL O4 O . 0.000 GCL H11 H . 0.000 GCL H12 H . 0.000 GCL H2 H . 0.000 GCL H3 H . 0.000 GCL H4 H . 0.000 GCL H51 H . 0.000 GCL H52 H . 0.000 GCL H6 H . 0.000 GCL H71 H . 0.000 GCL H72 H . 0.000 GCL H73 H . 0.000 GCL H81 H . 0.000 GCL H82 H . 0.000 GCL H83 H . 0.000 GCL 'H1'' H . 0.000 GCL 'H2'1' H . 0.000 GCL 'H2'2' H . 0.000 GCL 'H3'1' H . 0.000 GCL 'H3'2' H . 0.000 GCL 'H4'1' H . 0.000 GCL 'H4'2' H . 0.000 GCL 'H5'1' H . 0.000 GCL 'H5'2' H . 0.000 GCL 'H6'1' H . 0.000 GCL 'H6'2' H . 0.000 GCL HN21 H . 0.000 GCL HN22 H . 0.000 GCL HO3 H . 0.000 GCL HO4 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 GCL C1 C2 single GCL C1 'C1'' single GCL C1 H11 single GCL C1 H12 single GCL C2 C3 single GCL C2 N2 single GCL C2 H2 single GCL C3 C4 single GCL C3 O3 single GCL C3 H3 single GCL C4 C5 single GCL C4 O4 single GCL C4 H4 single GCL C5 C6 single GCL C5 H51 single GCL C5 H52 single GCL C6 C7 single GCL C6 C8 single GCL C6 H6 single GCL C7 H71 single GCL C7 H72 single GCL C7 H73 single GCL C8 H81 single GCL C8 H82 single GCL C8 H83 single GCL 'C1'' 'C2'' single GCL 'C1'' 'C6'' single GCL 'C1'' 'H1'' single GCL 'C2'' 'C3'' single GCL 'C2'' 'H2'1' single GCL 'C2'' 'H2'2' single GCL 'C3'' 'C4'' single GCL 'C3'' 'H3'1' single GCL 'C3'' 'H3'2' single GCL 'C4'' 'C5'' single GCL 'C4'' 'H4'1' single GCL 'C4'' 'H4'2' single GCL 'C5'' 'C6'' single GCL 'C5'' 'H5'1' single GCL 'C5'' 'H5'2' single GCL 'C6'' 'H6'1' single GCL 'C6'' 'H6'2' single GCL N2 HN21 single GCL N2 HN22 single GCL O3 HO3 single GCL O4 HO4 single