# 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 MCN MCN 'PTERIN CYTOSINE DINUCLEOTIDE ' non-polymer 66 44 M # data_comp_MCN # 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 MCN N1 N . 0.000 MCN C2 C . 0.000 MCN N3 N . 0.000 MCN C4 C . 0.000 MCN C5 C . 0.000 MCN C6 C . 0.000 MCN O2 O . 0.000 MCN N4 N . 0.000 MCN C1* C . 0.000 MCN C2* C . 0.000 MCN O2* O . 0.000 MCN C3* C . 0.000 MCN C4* C . 0.000 MCN O4* O . 0.000 MCN O3* O . 0.000 MCN C5* C . 0.000 MCN O5* O . 0.000 MCN PA P . 0.000 MCN O1A O . 0.000 MCN O2A O . 0.000 MCN O3A O . 0.000 MCN PB P . 0.000 MCN O1B O . 0.000 MCN O2B O . 0.000 MCN O3B O . 0.000 MCN C10 C . 0.000 MCN 'C9'' C . 0.000 MCN 'C8'' C . 0.000 MCN 'S8'' S . 0.000 MCN 'C7'' C . 0.000 MCN 'S7'' S . 0.000 MCN 'C6'' C . 0.000 MCN C7 C . 0.000 MCN 'O9'' O . 0.000 MCN 'N5'' N . 0.000 MCN C4A C . 0.000 MCN 'N8'' N . 0.000 MCN C4B C . 0.000 MCN 'N1'' N . 0.000 MCN 'C2'' C . 0.000 MCN 'N2'' N . 0.000 MCN 'N3'' N . 0.000 MCN 'C4'' C . 0.000 MCN 'O4'' O . 0.000 MCN HN41 H . 0.000 MCN HN42 H . 0.000 MCN H5 H . 0.000 MCN H6 H . 0.000 MCN H1* H . 0.000 MCN H2* H . 0.000 MCN HO2* H . 0.000 MCN H3* H . 0.000 MCN HO3* H . 0.000 MCN H4* H . 0.000 MCN H5*1 H . 0.000 MCN H5*2 H . 0.000 MCN HOA2 H . 0.000 MCN HOB2 H . 0.000 MCN H101 H . 0.000 MCN H102 H . 0.000 MCN 'H9'' H . 0.000 MCN HS8 H . 0.000 MCN HS7 H . 0.000 MCN HN21 H . 0.000 MCN HN22 H . 0.000 MCN HO4 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 MCN N1 C2 single MCN N1 C6 single MCN N1 C1* single MCN C2 N3 single MCN C2 O2 double MCN N3 C4 double MCN C4 C5 single MCN C4 N4 single MCN C5 C6 double MCN C5 H5 single MCN C6 H6 single MCN N4 HN41 single MCN N4 HN42 single MCN C1* C2* single MCN C1* O4* single MCN C1* H1* single MCN C2* C3* single MCN C2* O2* single MCN C2* H2* single MCN O2* HO2* single MCN C3* C4* single MCN C3* O3* single MCN C3* H3* single MCN C4* O4* single MCN C4* C5* single MCN C4* H4* single MCN O3* HO3* single MCN C5* O5* single MCN C5* H5*1 single MCN C5* H5*2 single MCN O5* PA single MCN PA O1A double MCN PA O2A single MCN PA O3A single MCN O2A HOA2 single MCN O3A PB single MCN PB O1B double MCN PB O2B single MCN PB O3B single MCN O2B HOB2 single MCN O3B C10 single MCN C10 'C9'' single MCN C10 H101 single MCN C10 H102 single MCN 'C9'' 'C8'' single MCN 'C9'' 'O9'' single MCN 'C9'' 'H9'' single MCN 'C8'' 'C7'' double MCN 'C8'' 'S8'' single MCN 'S8'' HS8 single MCN 'C7'' 'C6'' single MCN 'C7'' 'S7'' single MCN 'S7'' HS7 single MCN 'C6'' C7 single MCN 'C6'' 'N5'' double MCN C7 'O9'' single MCN C7 'N8'' double MCN 'N5'' C4A single MCN C4A 'C4'' double MCN C4A C4B single MCN 'N8'' C4B single MCN C4B 'N1'' double MCN 'N1'' 'C2'' single MCN 'C2'' 'N3'' double MCN 'C2'' 'N2'' single MCN 'N2'' HN21 single MCN 'N2'' HN22 single MCN 'N3'' 'C4'' single MCN 'C4'' 'O4'' single MCN 'O4'' HO4 single