# 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 DM8 DM8 '2"-BROMO-4"-EPIDAUNORUBICIN ' non-polymer 67 39 M # data_comp_DM8 # 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 DM8 C1 C . 0.000 DM8 C2 C . 0.000 DM8 C3 C . 0.000 DM8 C4 C . 0.000 DM8 C5 C . 0.000 DM8 C6 C . 0.000 DM8 C7 C . 0.000 DM8 C8 C . 0.000 DM8 C9 C . 0.000 DM8 C10 C . 0.000 DM8 C11 C . 0.000 DM8 C12 C . 0.000 DM8 C13 C . 0.000 DM8 C14 C . 0.000 DM8 C15 C . 0.000 DM8 C16 C . 0.000 DM8 C17 C . 0.000 DM8 C18 C . 0.000 DM8 C19 C . 0.000 DM8 C20 C . 0.000 DM8 C21 C . 0.000 DM8 O4 O . 0.000 DM8 O5 O . 0.000 DM8 O6 O . 0.000 DM8 O7 O . 0.000 DM8 O9 O . 0.000 DM8 O11 O . 0.000 DM8 O12 O . 0.000 DM8 O13 O . 0.000 DM8 C1* C . 0.000 DM8 C2* C . 0.000 DM8 C3* C . 0.000 DM8 C4* C . 0.000 DM8 C5* C . 0.000 DM8 C6* C . 0.000 DM8 O5* O . 0.000 DM8 O4* O . 0.000 DM8 N3* N . 0.000 DM8 BR BR . 0.000 DM8 H1 H . 0.000 DM8 H2 H . 0.000 DM8 H3 H . 0.000 DM8 H7 H . 0.000 DM8 H81 H . 0.000 DM8 H82 H . 0.000 DM8 H101 H . 0.000 DM8 H102 H . 0.000 DM8 H11 H . 0.000 DM8 H141 H . 0.000 DM8 H142 H . 0.000 DM8 H143 H . 0.000 DM8 H211 H . 0.000 DM8 H212 H . 0.000 DM8 H213 H . 0.000 DM8 H6 H . 0.000 DM8 H9 H . 0.000 DM8 H1* H . 0.000 DM8 H2* H . 0.000 DM8 H3* H . 0.000 DM8 H4* H . 0.000 DM8 H5* H . 0.000 DM8 H6*1 H . 0.000 DM8 H6*2 H . 0.000 DM8 H6*3 H . 0.000 DM8 HO4* H . 0.000 DM8 HN*1 H . 0.000 DM8 HN*2 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 DM8 C1 C2 double DM8 C1 C15 single DM8 C1 H1 single DM8 C2 C3 single DM8 C2 H2 single DM8 C3 C4 double DM8 C3 H3 single DM8 C4 C16 single DM8 C4 O4 single DM8 C5 C16 single DM8 C5 C17 single DM8 C5 O5 double DM8 C6 C17 double DM8 C6 C20 single DM8 C6 O6 single DM8 C7 C8 single DM8 C7 C20 single DM8 C7 O7 single DM8 C7 H7 single DM8 C8 C9 single DM8 C8 H81 single DM8 C8 H82 single DM8 C9 C10 single DM8 C9 C13 single DM8 C9 O9 single DM8 C10 C19 single DM8 C10 H101 single DM8 C10 H102 single DM8 C11 C18 double DM8 C11 C19 single DM8 C11 O11 single DM8 C12 C15 single DM8 C12 C18 single DM8 C12 O12 double DM8 C13 C14 single DM8 C13 O13 double DM8 C14 H141 single DM8 C14 H142 single DM8 C14 H143 single DM8 C15 C16 double DM8 C17 C18 single DM8 C19 C20 double DM8 C21 O4 single DM8 C21 H211 single DM8 C21 H212 single DM8 C21 H213 single DM8 O6 H6 single DM8 O7 C1* single DM8 O9 H9 single DM8 O11 H11 single DM8 C1* C2* single DM8 C1* O5* single DM8 C1* H1* single DM8 C2* C3* single DM8 C2* BR single DM8 C2* H2* single DM8 C3* C4* single DM8 C3* N3* single DM8 C3* H3* single DM8 C4* C5* single DM8 C4* O4* single DM8 C4* H4* single DM8 C5* C6* single DM8 C5* O5* single DM8 C5* H5* single DM8 C6* H6*1 single DM8 C6* H6*2 single DM8 C6* H6*3 single DM8 O4* HO4* single DM8 N3* HN*1 single DM8 N3* HN*2 single