# 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 C78 C78 '[1-[1-(6-CARBAMOYL-CYCLOHEX-2-ENYLCA' non-polymer 88 46 M # data_comp_C78 # 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 C78 N1 N . 0.000 C78 C2 C . 0.000 C78 C3 C . 0.000 C78 C4 C . 0.000 C78 C5 C . 0.000 C78 C7 C . 0.000 C78 C6 C . 0.000 C78 C8 C . 0.000 C78 O9 O . 0.000 C78 C10 C . 0.000 C78 O11 O . 0.000 C78 N12 N . 0.000 C78 C13 C . 0.000 C78 C14 C . 0.000 C78 C15 C . 0.000 C78 C16 C . 0.000 C78 C17 C . 0.000 C78 C18 C . 0.000 C78 C19 C . 0.000 C78 C20 C . 0.000 C78 C21 C . 0.000 C78 O22 O . 0.000 C78 O23 O . 0.000 C78 P24 P . 0.000 C78 O25 O . 0.000 C78 O26 O . 0.000 C78 O27 O . 0.000 C78 N28 N . 0.000 C78 C29 C . 0.000 C78 C30 C . 0.000 C78 C31 C . 0.000 C78 C32 C . 0.000 C78 C33 C . 0.000 C78 C34 C . 0.000 C78 C35 C . 0.000 C78 O36 O . 0.000 C78 N37 N . 0.000 C78 C38 C . 0.000 C78 C39 C . 0.000 C78 C40 C . 0.000 C78 C41 C . 0.000 C78 C42 C . 0.000 C78 C43 C . 0.000 C78 C44 C . 0.000 C78 N45 N . 0.000 C78 O46 O . 0.000 C78 HN11 H . 0.000 C78 HN12 H . 0.000 C78 HC31 H . 0.000 C78 HC41 H . 0.000 C78 HC51 H . 0.000 C78 HC61 H . 0.000 C78 HC81 H . 0.000 C78 HC82 H . 0.000 C78 H121 H . 0.000 C78 H131 H . 0.000 C78 H141 H . 0.000 C78 H142 H . 0.000 C78 H161 H . 0.000 C78 H171 H . 0.000 C78 H181 H . 0.000 C78 H191 H . 0.000 C78 H251 H . 0.000 C78 H271 H . 0.000 C78 H281 H . 0.000 C78 H301 H . 0.000 C78 H302 H . 0.000 C78 H311 H . 0.000 C78 H312 H . 0.000 C78 H321 H . 0.000 C78 H322 H . 0.000 C78 H331 H . 0.000 C78 H332 H . 0.000 C78 H341 H . 0.000 C78 H342 H . 0.000 C78 H371 H . 0.000 C78 H381 H . 0.000 C78 H391 H . 0.000 C78 H392 H . 0.000 C78 H401 H . 0.000 C78 H402 H . 0.000 C78 H411 H . 0.000 C78 H412 H . 0.000 C78 H421 H . 0.000 C78 H422 H . 0.000 C78 H431 H . 0.000 C78 H451 H . 0.000 C78 H452 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 C78 N1 C2 single C78 N1 HN11 single C78 N1 HN12 single C78 C2 C3 double C78 C2 C6 single C78 C3 C4 single C78 C3 HC31 single C78 C4 C5 double C78 C4 HC41 single C78 C5 C7 single C78 C5 HC51 single C78 C7 C6 double C78 C7 C8 single C78 C6 HC61 single C78 C8 O9 single C78 C8 HC81 single C78 C8 HC82 single C78 O9 C10 single C78 C10 O11 double C78 C10 N12 single C78 N12 C13 single C78 N12 H121 single C78 C13 C14 single C78 C13 C21 single C78 C13 H131 single C78 C14 C15 single C78 C14 H141 single C78 C14 H142 single C78 C15 C16 double C78 C15 C18 single C78 C16 C17 single C78 C16 H161 single C78 C17 C20 double C78 C17 H171 single C78 C18 C19 double C78 C18 H181 single C78 C19 C20 single C78 C19 H191 single C78 C20 O23 single C78 C21 O22 double C78 C21 N28 single C78 O23 P24 single C78 P24 O25 single C78 P24 O26 double C78 P24 O27 single C78 O25 H251 single C78 O27 H271 single C78 N28 C29 single C78 N28 H281 single C78 C29 C30 single C78 C29 C34 single C78 C29 C35 single C78 C30 C31 single C78 C30 H301 single C78 C30 H302 single C78 C31 C32 single C78 C31 H311 single C78 C31 H312 single C78 C32 C33 single C78 C32 H321 single C78 C32 H322 single C78 C33 C34 single C78 C33 H331 single C78 C33 H332 single C78 C34 H341 single C78 C34 H342 single C78 C35 O36 double C78 C35 N37 single C78 N37 C38 single C78 N37 H371 single C78 C38 C39 single C78 C38 C43 single C78 C38 H381 single C78 C39 C40 single C78 C39 H391 single C78 C39 H392 single C78 C40 C41 single C78 C40 H401 single C78 C40 H402 single C78 C41 C42 single C78 C41 H411 single C78 C41 H412 single C78 C42 C43 single C78 C42 H421 single C78 C42 H422 single C78 C43 C44 single C78 C43 H431 single C78 C44 N45 single C78 C44 O46 double C78 N45 H451 single C78 N45 H452 single