# 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 CBO CBO 'CARBENOXOLONE ' non-polymer 91 41 M # data_comp_CBO # 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 CBO C1 C . 0.000 CBO C2 C . 0.000 CBO C3 C . 0.000 CBO C4 C . 0.000 CBO C5 C . 0.000 CBO C6 C . 0.000 CBO C7 C . 0.000 CBO C8 C . 0.000 CBO C9 C . 0.000 CBO C10 C . 0.000 CBO C11 C . 0.000 CBO C12 C . 0.000 CBO C13 C . 0.000 CBO C14 C . 0.000 CBO C15 C . 0.000 CBO C16 C . 0.000 CBO C17 C . 0.000 CBO C18 C . 0.000 CBO C19 C . 0.000 CBO C20 C . 0.000 CBO C21 C . 0.000 CBO C22 C . 0.000 CBO C23 C . 0.000 CBO C24 C . 0.000 CBO C25 C . 0.000 CBO C26 C . 0.000 CBO C27 C . 0.000 CBO C28 C . 0.000 CBO C29 C . 0.000 CBO C30 C . 0.000 CBO C31 C . 0.000 CBO C32 C . 0.000 CBO C33 C . 0.000 CBO C34 C . 0.000 CBO O3 O . 0.000 CBO O11 O . 0.000 CBO O29 O . 0.000 CBO O32 O . 0.000 CBO O33 O . 0.000 CBO O34 O . 0.000 CBO O35 O . 0.000 CBO H11 H . 0.000 CBO H12 H . 0.000 CBO H21 H . 0.000 CBO H22 H . 0.000 CBO H3 H . 0.000 CBO H5 H . 0.000 CBO H61 H . 0.000 CBO H62 H . 0.000 CBO H71 H . 0.000 CBO H72 H . 0.000 CBO H9 H . 0.000 CBO H_12 H . 0.000 CBO H151 H . 0.000 CBO H152 H . 0.000 CBO H161 H . 0.000 CBO H162 H . 0.000 CBO H18 H . 0.000 CBO H191 H . 0.000 CBO H192 H . 0.000 CBO H193 H . 0.000 CBO H201 H . 0.000 CBO H202 H . 0.000 CBO H221 H . 0.000 CBO H222 H . 0.000 CBO H231 H . 0.000 CBO H232 H . 0.000 CBO H241 H . 0.000 CBO H242 H . 0.000 CBO H243 H . 0.000 CBO H251 H . 0.000 CBO H252 H . 0.000 CBO H253 H . 0.000 CBO H261 H . 0.000 CBO H262 H . 0.000 CBO H263 H . 0.000 CBO H271 H . 0.000 CBO H272 H . 0.000 CBO H273 H . 0.000 CBO H281 H . 0.000 CBO H282 H . 0.000 CBO H283 H . 0.000 CBO H301 H . 0.000 CBO H302 H . 0.000 CBO H311 H . 0.000 CBO H312 H . 0.000 CBO H341 H . 0.000 CBO H342 H . 0.000 CBO H343 H . 0.000 CBO H33 H . 0.000 CBO H35 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 CBO C1 C2 single CBO C1 C10 single CBO C1 H11 single CBO C1 H12 single CBO C2 C3 single CBO C2 H21 single CBO C2 H22 single CBO C3 C4 single CBO C3 O3 single CBO C3 H3 single CBO C4 C5 single CBO C4 C24 single CBO C4 C25 single CBO C5 C6 single CBO C5 C10 single CBO C5 H5 single CBO C6 C7 single CBO C6 H61 single CBO C6 H62 single CBO C7 C8 single CBO C7 H71 single CBO C7 H72 single CBO C8 C9 single CBO C8 C14 single CBO C8 C26 single CBO C9 C10 single CBO C9 C11 single CBO C9 H9 single CBO C10 C19 single CBO C11 C12 single CBO C11 O11 double CBO C12 C13 double CBO C12 H_12 single CBO C13 C14 single CBO C13 C18 single CBO C14 C15 single CBO C14 C27 single CBO C15 C16 single CBO C15 H151 single CBO C15 H152 single CBO C16 C17 single CBO C16 H161 single CBO C16 H162 single CBO C17 C18 single CBO C17 C23 single CBO C17 C28 single CBO C18 C20 single CBO C18 H18 single CBO C19 H191 single CBO C19 H192 single CBO C19 H193 single CBO C20 C21 single CBO C20 H201 single CBO C20 H202 single CBO C21 C22 single CBO C21 C33 single CBO C21 C34 single CBO C22 C23 single CBO C22 H221 single CBO C22 H222 single CBO C23 H231 single CBO C23 H232 single CBO C24 H241 single CBO C24 H242 single CBO C24 H243 single CBO C25 H251 single CBO C25 H252 single CBO C25 H253 single CBO C26 H261 single CBO C26 H262 single CBO C26 H263 single CBO C27 H271 single CBO C27 H272 single CBO C27 H273 single CBO C28 H281 single CBO C28 H282 single CBO C28 H283 single CBO C29 C30 single CBO C29 O3 single CBO C29 O29 double CBO C30 C31 single CBO C30 H301 single CBO C30 H302 single CBO C31 C32 single CBO C31 H311 single CBO C31 H312 single CBO C32 O32 double CBO C32 O33 single CBO C33 O34 double CBO C33 O35 single CBO C34 H341 single CBO C34 H342 single CBO C34 H343 single CBO O33 H33 single CBO O35 H35 single