# 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 CAV CAV '5-AMINO-6-CYCLOHEXYL-3,4-DIHYDROXY-2' non-polymer 49 20 M # data_comp_CAV # 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 CAV N N . 0.000 CAV CA C . 0.000 CAV CB C . 0.000 CAV CG C . 0.000 CAV CD1 C . 0.000 CAV CD2 C . 0.000 CAV CE1 C . 0.000 CAV CE2 C . 0.000 CAV CZ C . 0.000 CAV CH C . 0.000 CAV OH O . 0.000 CAV CB1 C . 0.000 CAV CA* C . 0.000 CAV CB* C . 0.000 CAV CG1 C . 0.000 CAV CG2 C . 0.000 CAV OB1 O . 0.000 CAV C C . 0.000 CAV O O . 0.000 CAV OXT O . 0.000 CAV HN1 H . 0.000 CAV HN2 H . 0.000 CAV HA H . 0.000 CAV HB1 H . 0.000 CAV HB2 H . 0.000 CAV HG H . 0.000 CAV HD11 H . 0.000 CAV HD12 H . 0.000 CAV HD21 H . 0.000 CAV HD22 H . 0.000 CAV HE11 H . 0.000 CAV HE12 H . 0.000 CAV HE21 H . 0.000 CAV HE22 H . 0.000 CAV HZ1 H . 0.000 CAV HZ2 H . 0.000 CAV HH H . 0.000 CAV HO H . 0.000 CAV H_B1 H . 0.000 CAV HOB1 H . 0.000 CAV HA* H . 0.000 CAV HB* H . 0.000 CAV HG11 H . 0.000 CAV HG12 H . 0.000 CAV HG13 H . 0.000 CAV HG21 H . 0.000 CAV HG22 H . 0.000 CAV HG23 H . 0.000 CAV HXT 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 CAV N CA single CAV N HN1 single CAV N HN2 single CAV CA CB single CAV CA CH single CAV CA HA single CAV CB CG single CAV CB HB1 single CAV CB HB2 single CAV CG CD1 single CAV CG CD2 single CAV CG HG single CAV CD1 CE1 single CAV CD1 HD11 single CAV CD1 HD12 single CAV CD2 CE2 single CAV CD2 HD21 single CAV CD2 HD22 single CAV CE1 CZ single CAV CE1 HE11 single CAV CE1 HE12 single CAV CE2 CZ single CAV CE2 HE21 single CAV CE2 HE22 single CAV CZ HZ1 single CAV CZ HZ2 single CAV CH CB1 single CAV CH OH single CAV CH HH single CAV OH HO single CAV CB1 CA* single CAV CB1 OB1 single CAV CB1 H_B1 single CAV CA* C single CAV CA* CB* single CAV CA* HA* single CAV CB* CG1 single CAV CB* CG2 single CAV CB* HB* single CAV CG1 HG11 single CAV CG1 HG12 single CAV CG1 HG13 single CAV CG2 HG21 single CAV CG2 HG22 single CAV CG2 HG23 single CAV OB1 HOB1 single CAV C O double CAV C OXT single CAV OXT HXT single