# 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 AEB AEB 'AERUGINOSIN 98-B ' non-polymer 91 45 M # data_comp_AEB # 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 AEB C1 C . 0.000 AEB C2 C . 0.000 AEB C3 C . 0.000 AEB C4 C . 0.000 AEB C5 C . 0.000 AEB C6 C . 0.000 AEB C11 C . 0.000 AEB C12 C . 0.000 AEB C15 C . 0.000 AEB O16 O . 0.000 AEB O17 O . 0.000 AEB N18 N . 0.000 AEB C19 C . 0.000 AEB C20 C . 0.000 AEB C21 C . 0.000 AEB C22 C . 0.000 AEB C23 C . 0.000 AEB C29 C . 0.000 AEB O31 O . 0.000 AEB N32 N . 0.000 AEB C33 C . 0.000 AEB C34 C . 0.000 AEB C35 C . 0.000 AEB C36 C . 0.000 AEB C37 C . 0.000 AEB C39 C . 0.000 AEB C42 C . 0.000 AEB C43 C . 0.000 AEB O49 O . 0.000 AEB S51 S . 0.000 AEB O52 O . 0.000 AEB O53 O . 0.000 AEB O54 O . 0.000 AEB C55 C . 0.000 AEB O56 O . 0.000 AEB N57 N . 0.000 AEB C58 C . 0.000 AEB C59 C . 0.000 AEB C62 C . 0.000 AEB C65 C . 0.000 AEB N68 N . 0.000 AEB C71 C . 0.000 AEB N72 N . 0.000 AEB N73 N . 0.000 AEB O74 O . 0.000 AEB H1 H . 0.000 AEB H2 H . 0.000 AEB H3 H . 0.000 AEB H4 H . 0.000 AEB H5 H . 0.000 AEB H6 H . 0.000 AEB H7 H . 0.000 AEB H8 H . 0.000 AEB H9 H . 0.000 AEB H10 H . 0.000 AEB H11 H . 0.000 AEB H12 H . 0.000 AEB H13 H . 0.000 AEB H14 H . 0.000 AEB H15 H . 0.000 AEB H16 H . 0.000 AEB H17 H . 0.000 AEB H18 H . 0.000 AEB H19 H . 0.000 AEB H20 H . 0.000 AEB H21 H . 0.000 AEB H22 H . 0.000 AEB H23 H . 0.000 AEB H24 H . 0.000 AEB H25 H . 0.000 AEB H26 H . 0.000 AEB H27 H . 0.000 AEB H28 H . 0.000 AEB H29 H . 0.000 AEB H30 H . 0.000 AEB H31 H . 0.000 AEB H32 H . 0.000 AEB H33 H . 0.000 AEB H34 H . 0.000 AEB H35 H . 0.000 AEB H36 H . 0.000 AEB H37 H . 0.000 AEB H38 H . 0.000 AEB H39 H . 0.000 AEB H40 H . 0.000 AEB H41 H . 0.000 AEB H42 H . 0.000 AEB H43 H . 0.000 AEB H44 H . 0.000 AEB H45 H . 0.000 AEB H47 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 AEB C1 C2 double AEB C1 C6 single AEB C1 O74 single AEB C2 C3 single AEB C2 H1 single AEB C3 C4 double AEB C3 H2 single AEB C4 C5 single AEB C4 C11 single AEB C5 C6 double AEB C5 H3 single AEB C6 H4 single AEB C11 C12 single AEB C11 H5 single AEB C11 H6 single AEB C12 C15 single AEB C12 O16 single AEB C12 H7 single AEB C15 O17 double AEB C15 N18 single AEB O16 H8 single AEB N18 C19 single AEB N18 H9 single AEB C19 C20 single AEB C19 C29 single AEB C19 H10 single AEB C20 C21 single AEB C20 C22 single AEB C20 H11 single AEB C21 C23 single AEB C21 H12 single AEB C21 H13 single AEB C22 H14 single AEB C22 H15 single AEB C22 H16 single AEB C23 H17 single AEB C23 H18 single AEB C23 H19 single AEB C29 O31 double AEB C29 N32 single AEB N32 C33 single AEB N32 C36 single AEB C33 C34 single AEB C33 C37 single AEB C33 H20 single AEB C34 C35 single AEB C34 C43 single AEB C34 H21 single AEB C35 C36 single AEB C35 H22 single AEB C35 H23 single AEB C36 C55 single AEB C36 H24 single AEB C37 C39 single AEB C37 H25 single AEB C37 H26 single AEB C39 C42 single AEB C39 O49 single AEB C39 H27 single AEB C42 C43 single AEB C42 H28 single AEB C42 H29 single AEB C43 H30 single AEB C43 H31 single AEB O49 S51 single AEB S51 O52 double AEB S51 O53 single AEB S51 O54 double AEB O53 H32 single AEB C55 O56 double AEB C55 N57 single AEB N57 C58 single AEB N57 H33 single AEB C58 C59 single AEB C58 H34 single AEB C58 H35 single AEB C59 C62 single AEB C59 H36 single AEB C59 H37 single AEB C62 C65 single AEB C62 H38 single AEB C62 H39 single AEB C65 N68 single AEB C65 H40 single AEB C65 H41 single AEB N68 C71 single AEB N68 H42 single AEB C71 N72 single AEB C71 N73 double AEB N72 H43 single AEB N72 H44 single AEB N73 H45 single AEB O74 H47 single