# 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 DSI DSI '4-HYDROXY-6-(1H-INDOLE-2-CARBONYL)-8' non-polymer 48 29 M # data_comp_DSI # 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 DSI C20 C . 0.000 DSI C21 C . 0.000 DSI C22 C . 0.000 DSI C23 C . 0.000 DSI C25 C . 0.000 DSI C24 C . 0.000 DSI C18 C . 0.000 DSI C19 C . 0.000 DSI N17 N . 0.000 DSI C16 C . 0.000 DSI O16 O . 0.000 DSI C6 C . 0.000 DSI C7 C . 0.000 DSI O6 O . 0.000 DSI C8 C . 0.000 DSI N12 N . 0.000 DSI C11 C . 0.000 DSI C10 C . 0.000 DSI C13 C . 0.000 DSI C9 C . 0.000 DSI C5 C . 0.000 DSI C4 C . 0.000 DSI C3 C . 0.000 DSI C2 C . 0.000 DSI N1 N . 0.000 DSI C14 C . 0.000 DSI O15 O . 0.000 DSI O14 O . 0.000 DSI C15 C . 0.000 DSI H22 H . 0.000 DSI H23 H . 0.000 DSI H24 H . 0.000 DSI H25 H . 0.000 DSI H19 H . 0.000 DSI H17 H . 0.000 DSI H7 H . 0.000 DSI H6 H . 0.000 DSI H111 H . 0.000 DSI H112 H . 0.000 DSI H10 H . 0.000 DSI H131 H . 0.000 DSI H132 H . 0.000 DSI H133 H . 0.000 DSI H3 H . 0.000 DSI H1 H . 0.000 DSI H151 H . 0.000 DSI H152 H . 0.000 DSI H153 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 DSI C20 C21 double DSI C20 C25 single DSI C20 C19 single DSI C21 C22 single DSI C21 N17 single DSI C22 C23 double DSI C22 H22 single DSI C23 C24 single DSI C23 H23 single DSI C25 C24 double DSI C25 H25 single DSI C24 H24 single DSI C18 C19 double DSI C18 N17 single DSI C18 C16 single DSI C19 H19 single DSI N17 H17 single DSI C16 O16 double DSI C16 N12 single DSI C6 C7 double DSI C6 O6 single DSI C6 C5 single DSI C7 C8 single DSI C7 H7 single DSI O6 H6 single DSI C8 N12 single DSI C8 C9 double DSI N12 C11 single DSI C11 C10 single DSI C11 H111 single DSI C11 H112 single DSI C10 C13 single DSI C10 C9 single DSI C10 H10 single DSI C13 H131 single DSI C13 H132 single DSI C13 H133 single DSI C9 C4 single DSI C5 C4 double DSI C5 N1 single DSI C4 C3 single DSI C3 C2 double DSI C3 H3 single DSI C2 N1 single DSI C2 C14 single DSI N1 H1 single DSI C14 O15 single DSI C14 O14 double DSI O15 C15 single DSI C15 H151 single DSI C15 H152 single DSI C15 H153 single