# 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 INN INN 'PENTANOYL)L-3-(TERT-BUTYL) ' non-polymer 66 29 M # data_comp_INN # 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 INN N1 N . 0.000 INN C2 C . 0.000 INN O2 O . 0.000 INN N3 N . 0.000 INN C4 C . 0.000 INN O4 O . 0.000 INN C5 C . 0.000 INN C6 C . 0.000 INN C8 C . 0.000 INN C9 C . 0.000 INN C10 C . 0.000 INN C11 C . 0.000 INN C12 C . 0.000 INN N N . 0.000 INN C C . 0.000 INN O O . 0.000 INN C0 C . 0.000 INN CA C . 0.000 INN CB C . 0.000 INN C1 C . 0.000 INN C3 C . 0.000 INN O1 O . 0.000 INN C7 C . 0.000 INN N2 N . 0.000 INN C13 C . 0.000 INN O3 O . 0.000 INN C14 C . 0.000 INN C15 C . 0.000 INN N4 N . 0.000 INN HN1 H . 0.000 INN H21 H . 0.000 INN H22 H . 0.000 INN H23 H . 0.000 INN HN3 H . 0.000 INN HO4 H . 0.000 INN H5 H . 0.000 INN H81 H . 0.000 INN H82 H . 0.000 INN H83 H . 0.000 INN H91 H . 0.000 INN H92 H . 0.000 INN H93 H . 0.000 INN H11 H . 0.000 INN H121 H . 0.000 INN H122 H . 0.000 INN H123 H . 0.000 INN HN H . 0.000 INN H01 H . 0.000 INN H02 H . 0.000 INN HA H . 0.000 INN HB1 H . 0.000 INN HB2 H . 0.000 INN H1 H . 0.000 INN H31 H . 0.000 INN H32 H . 0.000 INN H33 H . 0.000 INN H71 H . 0.000 INN H72 H . 0.000 INN H73 H . 0.000 INN HN2 H . 0.000 INN H141 H . 0.000 INN H142 H . 0.000 INN H151 H . 0.000 INN H152 H . 0.000 INN HN41 H . 0.000 INN HN42 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 INN N1 C4 single INN N1 C5 single INN N1 HN1 single INN C2 C1 single INN C2 H21 single INN C2 H22 single INN C2 H23 single INN O2 C10 double INN N3 C13 single INN N3 C14 single INN N3 HN3 single INN C4 CA single INN C4 O1 double INN O4 N single INN O4 HO4 single INN C5 C6 single INN C5 C10 single INN C5 H5 single INN C6 C8 single INN C6 C9 single INN C6 C7 single INN C8 H81 single INN C8 H82 single INN C8 H83 single INN C9 H91 single INN C9 H92 single INN C9 H93 single INN C10 N2 single INN C11 C12 single INN C11 N2 single INN C11 C13 single INN C11 H11 single INN C12 H121 single INN C12 H122 single INN C12 H123 single INN N C single INN N HN single INN C O double INN C C0 single INN C0 CA single INN C0 H01 single INN C0 H02 single INN CA CB single INN CA HA single INN CB C1 single INN CB HB1 single INN CB HB2 single INN C1 C3 single INN C1 H1 single INN C3 H31 single INN C3 H32 single INN C3 H33 single INN C7 H71 single INN C7 H72 single INN C7 H73 single INN N2 HN2 single INN C13 O3 double INN C14 C15 single INN C14 H141 single INN C14 H142 single INN C15 N4 single INN C15 H151 single INN C15 H152 single INN N4 HN41 single INN N4 HN42 single