# 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 CSY CSY '[4-(4-HYDROXY-BENZYL)-2-(2-HYDROXY-1' non-polymer 41 22 M # data_comp_CSY # 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 CSY C1 C . 0.000 CSY N2 N . 0.000 CSY CA2 C . 0.000 CSY C2 C . 0.000 CSY O2 O . 0.000 CSY N3 N . 0.000 CSY CA3 C . 0.000 CSY C3 C . 0.000 CSY O3 O . 0.000 CSY OXT O . 0.000 CSY CA1 C . 0.000 CSY N1 N . 0.000 CSY CB1 C . 0.000 CSY OG2 O . 0.000 CSY CB2 C . 0.000 CSY CG C . 0.000 CSY CD1 C . 0.000 CSY CD2 C . 0.000 CSY CE1 C . 0.000 CSY CE2 C . 0.000 CSY CZ C . 0.000 CSY OH O . 0.000 CSY H1 H . 0.000 CSY HN2 H . 0.000 CSY HA2 H . 0.000 CSY HA31 H . 0.000 CSY HA32 H . 0.000 CSY HXT H . 0.000 CSY HA1 H . 0.000 CSY HN11 H . 0.000 CSY HN12 H . 0.000 CSY HB11 H . 0.000 CSY HB12 H . 0.000 CSY HOG H . 0.000 CSY HB21 H . 0.000 CSY HB22 H . 0.000 CSY HD1 H . 0.000 CSY HD2 H . 0.000 CSY HE1 H . 0.000 CSY HE2 H . 0.000 CSY HO 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 CSY C1 N2 single CSY C1 N3 single CSY C1 CA1 single CSY C1 H1 single CSY N2 CA2 single CSY N2 HN2 single CSY CA2 C2 single CSY CA2 CB2 single CSY CA2 HA2 single CSY C2 N3 single CSY C2 O2 double CSY N3 CA3 single CSY CA3 C3 single CSY CA3 HA31 single CSY CA3 HA32 single CSY C3 O3 double CSY C3 OXT single CSY OXT HXT single CSY CA1 CB1 single CSY CA1 N1 single CSY CA1 HA1 single CSY N1 HN11 single CSY N1 HN12 single CSY CB1 OG2 single CSY CB1 HB11 single CSY CB1 HB12 single CSY OG2 HOG single CSY CB2 CG single CSY CB2 HB21 single CSY CB2 HB22 single CSY CG CD1 double CSY CG CD2 single CSY CD1 CE1 single CSY CD1 HD1 single CSY CD2 CE2 double CSY CD2 HD2 single CSY CE1 CZ double CSY CE1 HE1 single CSY CE2 CZ single CSY CE2 HE2 single CSY CZ OH single CSY OH HO single