# 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 C60 C60 '[[[3-(2-METHYL-PROPANE-2-SULFONYL)-1' non-polymer 112 51 M # data_comp_C60 # 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 C60 CS1 C . 0.000 C60 CS2 C . 0.000 C60 CS3 C . 0.000 C60 CS4 C . 0.000 C60 SS S . 0.000 C60 OS1 O . 0.000 C60 OS2 O . 0.000 C60 CNF C . 0.000 C60 CAF C . 0.000 C60 CBF C . 0.000 C60 C1F C . 0.000 C60 C2F C . 0.000 C60 C3F C . 0.000 C60 C4F C . 0.000 C60 C5F C . 0.000 C60 C6F C . 0.000 C60 CF C . 0.000 C60 OF O . 0.000 C60 NH N . 0.000 C60 CAH C . 0.000 C60 CBH C . 0.000 C60 C1H C . 0.000 C60 N1H N . 0.000 C60 C2H C . 0.000 C60 N2H N . 0.000 C60 C3H C . 0.000 C60 CH C . 0.000 C60 OH O . 0.000 C60 NC N . 0.000 C60 CAC C . 0.000 C60 CBC C . 0.000 C60 C1C C . 0.000 C60 C2C C . 0.000 C60 C3C C . 0.000 C60 C4C C . 0.000 C60 C5C C . 0.000 C60 C6C C . 0.000 C60 CC C . 0.000 C60 OC O . 0.000 C60 CNV C . 0.000 C60 CAV C . 0.000 C60 CBV C . 0.000 C60 C1V C . 0.000 C60 C2V C . 0.000 C60 CV C . 0.000 C60 OV O . 0.000 C60 NT N . 0.000 C60 C1T C . 0.000 C60 C2T C . 0.000 C60 C3T C . 0.000 C60 C4T C . 0.000 C60 HS21 H . 0.000 C60 HS22 H . 0.000 C60 HS23 H . 0.000 C60 HS31 H . 0.000 C60 HS32 H . 0.000 C60 HS33 H . 0.000 C60 HS41 H . 0.000 C60 HS42 H . 0.000 C60 HS43 H . 0.000 C60 HNF1 H . 0.000 C60 HNF2 H . 0.000 C60 HAF H . 0.000 C60 HBF1 H . 0.000 C60 HBF2 H . 0.000 C60 H2F H . 0.000 C60 H3F H . 0.000 C60 H4F H . 0.000 C60 H5F H . 0.000 C60 H6F H . 0.000 C60 HNH H . 0.000 C60 HAH H . 0.000 C60 HBH1 H . 0.000 C60 HBH2 H . 0.000 C60 H2H H . 0.000 C60 HNH1 H . 0.000 C60 H3H H . 0.000 C60 HNC H . 0.000 C60 HAC H . 0.000 C60 HBC1 H . 0.000 C60 HBC2 H . 0.000 C60 H1C H . 0.000 C60 H2C1 H . 0.000 C60 H2C2 H . 0.000 C60 H3C1 H . 0.000 C60 H3C2 H . 0.000 C60 H4C1 H . 0.000 C60 H4C2 H . 0.000 C60 H5C1 H . 0.000 C60 H5C2 H . 0.000 C60 H6C1 H . 0.000 C60 H6C2 H . 0.000 C60 HNV1 H . 0.000 C60 HNV2 H . 0.000 C60 HAV H . 0.000 C60 HBV H . 0.000 C60 H1V1 H . 0.000 C60 H1V2 H . 0.000 C60 H1V3 H . 0.000 C60 H2V1 H . 0.000 C60 H2V2 H . 0.000 C60 H2V3 H . 0.000 C60 HNT H . 0.000 C60 H1T1 H . 0.000 C60 H1T2 H . 0.000 C60 H2T1 H . 0.000 C60 H2T2 H . 0.000 C60 H3T1 H . 0.000 C60 H3T2 H . 0.000 C60 H4T1 H . 0.000 C60 H4T2 H . 0.000 C60 H4T3 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 C60 CS1 CS2 single C60 CS1 CS3 single C60 CS1 CS4 single C60 CS1 SS single C60 CS2 HS21 single C60 CS2 HS22 single C60 CS2 HS23 single C60 CS3 HS31 single C60 CS3 HS32 single C60 CS3 HS33 single C60 CS4 HS41 single C60 CS4 HS42 single C60 CS4 HS43 single C60 SS CNF single C60 SS OS1 double C60 SS OS2 double C60 CNF CAF single C60 CNF HNF1 single C60 CNF HNF2 single C60 CAF CBF single C60 CAF CF single C60 CAF HAF single C60 CBF C1F single C60 CBF HBF1 single C60 CBF HBF2 single C60 C1F C2F double C60 C1F C6F single C60 C2F C3F single C60 C2F H2F single C60 C3F C4F double C60 C3F H3F single C60 C4F C5F single C60 C4F H4F single C60 C5F C6F double C60 C5F H5F single C60 C6F H6F single C60 CF OF double C60 CF NH single C60 NH CAH single C60 NH HNH single C60 CAH CBH single C60 CAH CH single C60 CAH HAH single C60 CBH C1H single C60 CBH HBH1 single C60 CBH HBH2 single C60 C1H C2H double C60 C1H N1H single C60 N1H C3H single C60 N1H HNH1 single C60 C2H N2H single C60 C2H H2H single C60 N2H C3H double C60 C3H H3H single C60 CH NC single C60 CH OH double C60 NC CAC single C60 NC HNC single C60 CAC CBC single C60 CAC CC single C60 CAC HAC single C60 CBC C1C single C60 CBC HBC1 single C60 CBC HBC2 single C60 C1C C2C single C60 C1C C6C single C60 C1C H1C single C60 C2C C3C single C60 C2C H2C1 single C60 C2C H2C2 single C60 C3C C4C single C60 C3C H3C1 single C60 C3C H3C2 single C60 C4C C5C single C60 C4C H4C1 single C60 C4C H4C2 single C60 C5C C6C single C60 C5C H5C1 single C60 C5C H5C2 single C60 C6C H6C1 single C60 C6C H6C2 single C60 CC CNV single C60 CC OC double C60 CNV CAV single C60 CNV HNV1 single C60 CNV HNV2 single C60 CAV CV single C60 CAV CBV single C60 CAV HAV single C60 CBV C1V single C60 CBV C2V single C60 CBV HBV single C60 C1V H1V1 single C60 C1V H1V2 single C60 C1V H1V3 single C60 C2V H2V1 single C60 C2V H2V2 single C60 C2V H2V3 single C60 CV NT single C60 CV OV double C60 NT C1T single C60 NT HNT single C60 C1T C2T single C60 C1T H1T1 single C60 C1T H1T2 single C60 C2T C3T single C60 C2T H2T1 single C60 C2T H2T2 single C60 C3T C4T single C60 C3T H3T1 single C60 C3T H3T2 single C60 C4T H4T1 single C60 C4T H4T2 single C60 C4T H4T3 single