# 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 CFM . 'FE-MO-S CLUSTER ' non-polymer 17 17 . # data_comp_CFM # 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 CFM S3A S S 0.000 CFM FE4 FE FE 0.000 CFM S1A S S 0.000 CFM S4A S S 0.000 CFM FE3 FE FE 0.000 CFM S2A S S 0.000 CFM FE7 FE FE 0.000 CFM S4B S S 0.000 CFM MO1 MO MO 0.000 CFM S1B S S 0.000 CFM FE6 FE FE 0.000 CFM FE2 FE FE 0.000 CFM FE1 FE FE 0.000 CFM FE5 FE FE 0.000 CFM S2B S S 0.000 CFM S3B S S 0.000 CFM S5 S S 0.000 loop_ _chem_comp_tree.comp_id _chem_comp_tree.atom_id _chem_comp_tree.atom_back _chem_comp_tree.atom_forward _chem_comp_tree.connect_type CFM S3A n/a FE4 START CFM FE4 S3A S1A . CFM S1A FE4 FE2 . CFM S4A FE1 FE3 . CFM FE3 S4A S5 . CFM S2A FE2 FE1 . CFM FE7 S5 S4B . CFM S4B FE7 FE5 . CFM MO1 S3B . END CFM S1B FE5 FE6 . CFM FE6 S1B S3B . CFM FE2 S1A S2A . CFM FE1 S2A S4A . CFM FE5 S4B S1B . CFM S2B FE6 . . CFM S3B FE6 MO1 . CFM S5 FE3 FE7 . CFM S3A FE5 . ADD CFM S1A FE1 . ADD CFM S2A FE3 . ADD CFM S4A FE4 . ADD CFM S4B FE4 . ADD CFM S3B FE7 . ADD CFM S4B MO1 . ADD CFM S1B MO1 . ADD loop_ _chem_comp_bond.comp_id _chem_comp_bond.atom_id_1 _chem_comp_bond.atom_id_2 _chem_comp_bond.type _chem_comp_bond.value_dist _chem_comp_bond.value_dist_esd CFM FE4 S3A coval 2.200 0.020 CFM FE4 S1A coval 2.200 0.020 CFM FE4 S4A coval 2.200 0.020 CFM FE3 S4A coval 2.200 0.020 CFM FE3 S5 coval 2.200 0.020 CFM FE3 S2A coval 2.200 0.020 CFM FE7 S3B coval 2.200 0.020 CFM FE7 S5 coval 2.200 0.020 CFM FE7 S4B coval 2.200 0.020 CFM MO1 S4B coval 2.000 0.020 CFM MO1 S3B coval 2.000 0.020 CFM MO1 S1B coval 2.000 0.020 CFM FE6 S1B coval 2.200 0.020 CFM FE6 S2B coval 2.200 0.020 CFM FE6 S3B coval 2.200 0.020 CFM FE2 S1A coval 2.200 0.020 CFM FE2 S2A coval 2.200 0.020 CFM FE2 S2B coval 2.200 0.020 CFM FE1 S1A coval 2.200 0.020 CFM FE1 S4A coval 2.200 0.020 CFM FE1 S2A coval 2.200 0.020 CFM FE5 S3A coval 2.200 0.020 CFM FE5 S1B coval 2.200 0.020 CFM FE5 S4B coval 2.200 0.020