# 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 CLN CLN 'SULFUR SUBSTITUTED PROTOPORPHYRIN IX' non-polymer 76 44 M # data_comp_CLN # 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 CLN FE FE . 0.000 CLN CHA C . 0.000 CLN CHB C . 0.000 CLN CHC C . 0.000 CLN CHD C . 0.000 CLN N_A N . 0.000 CLN C1A C . 0.000 CLN C2A C . 0.000 CLN C3A C . 0.000 CLN C4A C . 0.000 CLN CMA C . 0.000 CLN CAA C . 0.000 CLN CBA C . 0.000 CLN CGA C . 0.000 CLN O1A O . 0.000 CLN O2A O . 0.000 CLN N_B N . 0.000 CLN C1B C . 0.000 CLN C2B C . 0.000 CLN C3B C . 0.000 CLN C4B C . 0.000 CLN CMB C . 0.000 CLN CAB C . 0.000 CLN CBB C . 0.000 CLN N_C N . 0.000 CLN C1C C . 0.000 CLN C2C C . 0.000 CLN C3C C . 0.000 CLN C4C C . 0.000 CLN CMC C . 0.000 CLN CAC C . 0.000 CLN CBC C . 0.000 CLN S S . 0.000 CLN N_D N . 0.000 CLN C1D C . 0.000 CLN C2D C . 0.000 CLN C3D C . 0.000 CLN C4D C . 0.000 CLN CMD C . 0.000 CLN CAD C . 0.000 CLN CBD C . 0.000 CLN CGD C . 0.000 CLN O1D O . 0.000 CLN O2D O . 0.000 CLN HHA H . 0.000 CLN HHB H . 0.000 CLN HHC H . 0.000 CLN HHD H . 0.000 CLN HMA1 H . 0.000 CLN HMA2 H . 0.000 CLN HMA3 H . 0.000 CLN HAA1 H . 0.000 CLN HAA2 H . 0.000 CLN HBA1 H . 0.000 CLN HBA2 H . 0.000 CLN H2A H . 0.000 CLN HMB1 H . 0.000 CLN HMB2 H . 0.000 CLN HMB3 H . 0.000 CLN HAB H . 0.000 CLN HBB1 H . 0.000 CLN HBB2 H . 0.000 CLN HMC1 H . 0.000 CLN HMC2 H . 0.000 CLN HMC3 H . 0.000 CLN H3C H . 0.000 CLN HAC H . 0.000 CLN HBC H . 0.000 CLN HMD1 H . 0.000 CLN HMD2 H . 0.000 CLN HMD3 H . 0.000 CLN HAD1 H . 0.000 CLN HAD2 H . 0.000 CLN HBD1 H . 0.000 CLN HBD2 H . 0.000 CLN H2D 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 CLN FE N_A single CLN FE N_B single CLN FE N_C single CLN FE N_D single CLN CHA C1A double CLN CHA C4D single CLN CHA HHA single CLN CHB C4A single CLN CHB C1B double CLN CHB HHB single CLN CHC C4B double CLN CHC C1C single CLN CHC HHC single CLN CHD C4C double CLN CHD C1D single CLN CHD HHD single CLN N_A C1A single CLN N_A C4A double CLN C1A C2A single CLN C2A C3A double CLN C2A CAA single CLN C3A C4A single CLN C3A CMA single CLN CMA HMA1 single CLN CMA HMA2 single CLN CMA HMA3 single CLN CAA CBA single CLN CAA HAA1 single CLN CAA HAA2 single CLN CBA CGA single CLN CBA HBA1 single CLN CBA HBA2 single CLN CGA O1A double CLN CGA O2A single CLN O2A H2A single CLN N_B C1B single CLN N_B C4B single CLN C1B C2B single CLN C2B C3B double CLN C2B CMB single CLN C3B C4B single CLN C3B CAB single CLN CMB HMB1 single CLN CMB HMB2 single CLN CMB HMB3 single CLN CAB CBB double CLN CAB HAB single CLN CBB HBB1 single CLN CBB HBB2 single CLN N_C C1C double CLN N_C C4C single CLN C1C C2C single CLN C2C C3C single CLN C2C CMC single CLN C2C S single CLN C3C C4C single CLN C3C CAC single CLN C3C H3C single CLN CMC HMC1 single CLN CMC HMC2 single CLN CMC HMC3 single CLN CAC CBC double CLN CAC HAC single CLN CBC HBC single CLN CBC S single CLN N_D C1D single CLN N_D C4D single CLN C1D C2D double CLN C2D C3D single CLN C2D CMD single CLN C3D C4D double CLN C3D CAD single CLN CMD HMD1 single CLN CMD HMD2 single CLN CMD HMD3 single CLN CAD CBD single CLN CAD HAD1 single CLN CAD HAD2 single CLN CBD CGD single CLN CBD HBD1 single CLN CBD HBD2 single CLN CGD O1D double CLN CGD O2D single CLN O2D H2D single