# 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 MK1 MK1 'BUTYLAMINOCARBONYL)-4(3-PYRID ' non-polymer 92 45 M # data_comp_MK1 # 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 MK1 N1 N . 0.000 MK1 C1 C . 0.000 MK1 C2 C . 0.000 MK1 C3 C . 0.000 MK1 O1 O . 0.000 MK1 N2 N . 0.000 MK1 C4 C . 0.000 MK1 C5 C . 0.000 MK1 C6 C . 0.000 MK1 C7 C . 0.000 MK1 N3 N . 0.000 MK1 C8 C . 0.000 MK1 C9 C . 0.000 MK1 C10 C . 0.000 MK1 C11 C . 0.000 MK1 O2 O . 0.000 MK1 C12 C . 0.000 MK1 C13 C . 0.000 MK1 C14 C . 0.000 MK1 C15 C . 0.000 MK1 C16 C . 0.000 MK1 C17 C . 0.000 MK1 C18 C . 0.000 MK1 C19 C . 0.000 MK1 C20 C . 0.000 MK1 C21 C . 0.000 MK1 O3 O . 0.000 MK1 N4 N . 0.000 MK1 C22 C . 0.000 MK1 C23 C . 0.000 MK1 O4 O . 0.000 MK1 C24 C . 0.000 MK1 C25 C . 0.000 MK1 C26 C . 0.000 MK1 C27 C . 0.000 MK1 C28 C . 0.000 MK1 C29 C . 0.000 MK1 C30 C . 0.000 MK1 C31 C . 0.000 MK1 C32 C . 0.000 MK1 C33 C . 0.000 MK1 N5 N . 0.000 MK1 C34 C . 0.000 MK1 C35 C . 0.000 MK1 C36 C . 0.000 MK1 H11 H . 0.000 MK1 H12 H . 0.000 MK1 H2 H . 0.000 MK1 HN2 H . 0.000 MK1 H51 H . 0.000 MK1 H52 H . 0.000 MK1 H53 H . 0.000 MK1 H61 H . 0.000 MK1 H62 H . 0.000 MK1 H63 H . 0.000 MK1 H71 H . 0.000 MK1 H72 H . 0.000 MK1 H73 H . 0.000 MK1 H81 H . 0.000 MK1 H82 H . 0.000 MK1 H91 H . 0.000 MK1 H92 H . 0.000 MK1 H101 H . 0.000 MK1 H102 H . 0.000 MK1 H_11 H . 0.000 MK1 HO2 H . 0.000 MK1 H121 H . 0.000 MK1 H122 H . 0.000 MK1 H13 H . 0.000 MK1 H141 H . 0.000 MK1 H142 H . 0.000 MK1 H16 H . 0.000 MK1 H17 H . 0.000 MK1 H18 H . 0.000 MK1 H19 H . 0.000 MK1 H20 H . 0.000 MK1 HN4 H . 0.000 MK1 H22 H . 0.000 MK1 H23 H . 0.000 MK1 HO4 H . 0.000 MK1 H241 H . 0.000 MK1 H242 H . 0.000 MK1 H26 H . 0.000 MK1 H27 H . 0.000 MK1 H28 H . 0.000 MK1 H29 H . 0.000 MK1 H311 H . 0.000 MK1 H312 H . 0.000 MK1 H33 H . 0.000 MK1 H34 H . 0.000 MK1 H35 H . 0.000 MK1 H36 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 MK1 N1 C1 single MK1 N1 C9 single MK1 N1 C31 single MK1 C1 C2 single MK1 C1 H11 single MK1 C1 H12 single MK1 C2 C3 single MK1 C2 N3 single MK1 C2 H2 single MK1 C3 N2 single MK1 C3 O1 double MK1 N2 C4 single MK1 N2 HN2 single MK1 C4 C5 single MK1 C4 C6 single MK1 C4 C7 single MK1 C5 H51 single MK1 C5 H52 single MK1 C5 H53 single MK1 C6 H61 single MK1 C6 H62 single MK1 C6 H63 single MK1 C7 H71 single MK1 C7 H72 single MK1 C7 H73 single MK1 N3 C8 single MK1 N3 C10 single MK1 C8 C9 single MK1 C8 H81 single MK1 C8 H82 single MK1 C9 H91 single MK1 C9 H92 single MK1 C10 C11 single MK1 C10 H101 single MK1 C10 H102 single MK1 C11 C12 single MK1 C11 O2 single MK1 C11 H_11 single MK1 O2 HO2 single MK1 C12 C13 single MK1 C12 H121 single MK1 C12 H122 single MK1 C13 C14 single MK1 C13 C21 single MK1 C13 H13 single MK1 C14 C15 single MK1 C14 H141 single MK1 C14 H142 single MK1 C15 C16 double MK1 C15 C20 single MK1 C16 C17 single MK1 C16 H16 single MK1 C17 C18 double MK1 C17 H17 single MK1 C18 C19 single MK1 C18 H18 single MK1 C19 C20 double MK1 C19 H19 single MK1 C20 H20 single MK1 C21 N4 single MK1 C21 O3 double MK1 N4 C22 single MK1 N4 HN4 single MK1 C22 C23 single MK1 C22 C30 single MK1 C22 H22 single MK1 C23 C24 single MK1 C23 O4 single MK1 C23 H23 single MK1 O4 HO4 single MK1 C24 C25 single MK1 C24 H241 single MK1 C24 H242 single MK1 C25 C26 double MK1 C25 C30 single MK1 C26 C27 single MK1 C26 H26 single MK1 C27 C28 double MK1 C27 H27 single MK1 C28 C29 single MK1 C28 H28 single MK1 C29 C30 double MK1 C29 H29 single MK1 C31 C32 single MK1 C31 H311 single MK1 C31 H312 single MK1 C32 C33 single MK1 C32 C36 double MK1 C33 N5 double MK1 C33 H33 single MK1 N5 C34 single MK1 C34 C35 double MK1 C34 H34 single MK1 C35 C36 single MK1 C35 H35 single MK1 C36 H36 single