# 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 SN6 SN6 '1-METHYL-4-[4-[4-(4-(1-METHYLQUINOLI' non-polymer 62 35 M # data_comp_SN6 # 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 SN6 C1 C . 0.000 SN6 C2 C . 0.000 SN6 C3 C . 0.000 SN6 C4 C . 0.000 SN6 C5 C . 0.000 SN6 C6 C . 0.000 SN6 N7 N . 1.000 SN6 C8 C . 0.000 SN6 C9 C . 0.000 SN6 C10 C . 0.000 SN6 N11 N . 0.000 SN6 C12 C . 0.000 SN6 C13 C . 0.000 SN6 C14 C . 0.000 SN6 C15 C . 0.000 SN6 C16 C . 0.000 SN6 C17 C . 0.000 SN6 C18 C . 0.000 SN6 O19 O . 0.000 SN6 N20 N . 0.000 SN6 C21 C . 0.000 SN6 C22 C . 0.000 SN6 C23 C . 0.000 SN6 C24 C . 0.000 SN6 C25 C . 0.000 SN6 C26 C . 0.000 SN6 N27 N . 0.000 SN6 C28 C . 0.000 SN6 C29 C . 0.000 SN6 C30 C . 0.000 SN6 N31 N . 1.000 SN6 C32 C . 0.000 SN6 C33 C . 0.000 SN6 C34 C . 0.000 SN6 C35 C . 0.000 SN6 H1 H . 0.000 SN6 H2 H . 0.000 SN6 H5 H . 0.000 SN6 H6 H . 0.000 SN6 H8 H . 0.000 SN6 H9 H . 0.000 SN6 HN1 H . 0.000 SN6 H13 H . 0.000 SN6 H14 H . 0.000 SN6 H16 H . 0.000 SN6 H17 H . 0.000 SN6 HN2 H . 0.000 SN6 H22 H . 0.000 SN6 H23 H . 0.000 SN6 H25 H . 0.000 SN6 H26 H . 0.000 SN6 HN7 H . 0.000 SN6 H29 H . 0.000 SN6 H30 H . 0.000 SN6 H32 H . 0.000 SN6 H33 H . 0.000 SN6 H341 H . 0.000 SN6 H342 H . 0.000 SN6 H343 H . 0.000 SN6 H351 H . 0.000 SN6 H352 H . 0.000 SN6 H353 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 SN6 C1 C2 double SN6 C1 C6 single SN6 C1 H1 single SN6 C2 C3 single SN6 C2 H2 single SN6 C3 C4 double SN6 C3 N7 single SN6 C4 C5 single SN6 C4 C10 single SN6 C5 C6 double SN6 C5 H5 single SN6 C6 H6 single SN6 N7 C8 double SN6 N7 C35 single SN6 C8 C9 single SN6 C8 H8 single SN6 C9 C10 double SN6 C9 H9 single SN6 C10 N11 single SN6 N11 C12 single SN6 N11 HN1 single SN6 C12 C13 double SN6 C12 C17 single SN6 C13 C14 single SN6 C13 H13 single SN6 C14 C15 double SN6 C14 H14 single SN6 C15 C16 single SN6 C15 C18 single SN6 C16 C17 double SN6 C16 H16 single SN6 C17 H17 single SN6 C18 O19 double SN6 C18 N20 single SN6 N20 C21 single SN6 N20 HN2 single SN6 C21 C22 double SN6 C21 C26 single SN6 C22 C23 single SN6 C22 H22 single SN6 C23 C24 double SN6 C23 H23 single SN6 C24 C25 single SN6 C24 N27 single SN6 C25 C26 double SN6 C25 H25 single SN6 C26 H26 single SN6 N27 C28 single SN6 N27 HN7 single SN6 C28 C29 double SN6 C28 C33 single SN6 C29 C30 single SN6 C29 H29 single SN6 C30 N31 double SN6 C30 H30 single SN6 N31 C32 single SN6 N31 C34 single SN6 C32 C33 double SN6 C32 H32 single SN6 C33 H33 single SN6 C34 H341 single SN6 C34 H342 single SN6 C34 H343 single SN6 C35 H351 single SN6 C35 H352 single SN6 C35 H353 single