#
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