#
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
ZID      ZID 'ISONICOTINIC-ACETYL-NICOTINAMIDE-ADE' non-polymer        82  52 M
#
data_comp_ZID
#
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
 ZID           AP     P    .         0.000
 ZID           AO1    O    .         0.000
 ZID           AO2    O    .         0.000
 ZID           AO5*   O    .         0.000
 ZID           AC5*   C    .         0.000
 ZID           AC4*   C    .         0.000
 ZID           AO4*   O    .         0.000
 ZID           AC3*   C    .         0.000
 ZID           AO3*   O    .         0.000
 ZID           AC2*   C    .         0.000
 ZID           AO2*   O    .         0.000
 ZID           AC1*   C    .         0.000
 ZID           AN9    N    .         0.000
 ZID           AC8    C    .         0.000
 ZID           AN7    N    .         0.000
 ZID           AC5    C    .         0.000
 ZID           AC6    C    .         0.000
 ZID           AN6    N    .         0.000
 ZID           AN1    N    .         0.000
 ZID           AC2    C    .         0.000
 ZID           AN3    N    .         0.000
 ZID           AC4    C    .         0.000
 ZID           O3     O    .         0.000
 ZID           NP     P    .         0.000
 ZID           NO1    O    .         0.000
 ZID           NO2    O    .        -1.000
 ZID           NO5*   O    .         0.000
 ZID           NC5*   C    .         0.000
 ZID           NC4*   C    .         0.000
 ZID           NO4*   O    .         0.000
 ZID           NC3*   C    .         0.000
 ZID           NO3*   O    .         0.000
 ZID           NC2*   C    .         0.000
 ZID           NO2*   O    .         0.000
 ZID           NC1*   C    .         0.000
 ZID           NN1    N    .         1.000
 ZID           NC2    C    .         0.000
 ZID           NC3    C    .         0.000
 ZID           NC7    C    .         0.000
 ZID           NO7    O    .         0.000
 ZID           NN7    N    .         0.000
 ZID           NC4    C    .         0.000
 ZID           NC5    C    .         0.000
 ZID           NC6    C    .         0.000
 ZID           ZC7    C    .         0.000
 ZID           ZO7    O    .         0.000
 ZID           ZN1    N    .         0.000
 ZID           ZC2    C    .         0.000
 ZID           ZC3    C    .         0.000
 ZID           ZC4    C    .         0.000
 ZID           ZC5    C    .         0.000
 ZID           ZC6    C    .         0.000
 ZID           HOA2   H    .         0.000
 ZID           AH51   H    .         0.000
 ZID           AH52   H    .         0.000
 ZID           AH4*   H    .         0.000
 ZID           AH3*   H    .         0.000
 ZID           AHO3   H    .         0.000
 ZID           AH2*   H    .         0.000
 ZID           AHO2   H    .         0.000
 ZID           AH1*   H    .         0.000
 ZID           AH8    H    .         0.000
 ZID           AH61   H    .         0.000
 ZID           AH62   H    .         0.000
 ZID           AH2    H    .         0.000
 ZID           NH51   H    .         0.000
 ZID           NH52   H    .         0.000
 ZID           NH4*   H    .         0.000
 ZID           NH3*   H    .         0.000
 ZID           NHO3   H    .         0.000
 ZID           NH2*   H    .         0.000
 ZID           NHO2   H    .         0.000
 ZID           NH1*   H    .         0.000
 ZID           NH2    H    .         0.000
 ZID           NH71   H    .         0.000
 ZID           NH72   H    .         0.000
 ZID           NH5    H    .         0.000
 ZID           NH6    H    .         0.000
 ZID           ZH2    H    .         0.000
 ZID           ZH3    H    .         0.000
 ZID           ZH5    H    .         0.000
 ZID           ZH6    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
 ZID        AP     AO1       double
 ZID        AP     AO2       single
 ZID        AP     AO5*      single
 ZID        AP     O3        single
 ZID        AO2    HOA2      single
 ZID        AO5*   AC5*      single
 ZID        AC5*   AC4*      single
 ZID        AC5*   AH51      single
 ZID        AC5*   AH52      single
 ZID        AC4*   AO4*      single
 ZID        AC4*   AC3*      single
 ZID        AC4*   AH4*      single
 ZID        AO4*   AC1*      single
 ZID        AC3*   AO3*      single
 ZID        AC3*   AC2*      single
 ZID        AC3*   AH3*      single
 ZID        AO3*   AHO3      single
 ZID        AC2*   AO2*      single
 ZID        AC2*   AC1*      single
 ZID        AC2*   AH2*      single
 ZID        AO2*   AHO2      single
 ZID        AC1*   AN9       single
 ZID        AC1*   AH1*      single
 ZID        AN9    AC8       single
 ZID        AN9    AC4       single
 ZID        AC8    AN7       double
 ZID        AC8    AH8       single
 ZID        AN7    AC5       single
 ZID        AC5    AC6       single
 ZID        AC5    AC4       double
 ZID        AC6    AN6       single
 ZID        AC6    AN1       double
 ZID        AN6    AH61      single
 ZID        AN6    AH62      single
 ZID        AN1    AC2       single
 ZID        AC2    AN3       double
 ZID        AC2    AH2       single
 ZID        AN3    AC4       single
 ZID        O3     NP        single
 ZID        NP     NO1       double
 ZID        NP     NO2       single
 ZID        NP     NO5*      single
 ZID        NO5*   NC5*      single
 ZID        NC5*   NC4*      single
 ZID        NC5*   NH51      single
 ZID        NC5*   NH52      single
 ZID        NC4*   NO4*      single
 ZID        NC4*   NC3*      single
 ZID        NC4*   NH4*      single
 ZID        NO4*   NC1*      single
 ZID        NC3*   NO3*      single
 ZID        NC3*   NC2*      single
 ZID        NC3*   NH3*      single
 ZID        NO3*   NHO3      single
 ZID        NC2*   NO2*      single
 ZID        NC2*   NC1*      single
 ZID        NC2*   NH2*      single
 ZID        NO2*   NHO2      single
 ZID        NC1*   NN1       single
 ZID        NC1*   NH1*      single
 ZID        NN1    NC2       single
 ZID        NN1    NC6       double
 ZID        NC2    NC3       double
 ZID        NC2    NH2       single
 ZID        NC3    NC7       single
 ZID        NC3    NC4       single
 ZID        NC7    NO7       double
 ZID        NC7    NN7       single
 ZID        NN7    NH71      single
 ZID        NN7    NH72      single
 ZID        NC4    NC5       double
 ZID        NC4    ZC7       single
 ZID        NC5    NC6       single
 ZID        NC5    NH5       single
 ZID        NC6    NH6       single
 ZID        ZC7    ZO7       double
 ZID        ZC7    ZC4       single
 ZID        ZN1    ZC2       double
 ZID        ZN1    ZC6       single
 ZID        ZC2    ZC3       single
 ZID        ZC2    ZH2       single
 ZID        ZC3    ZC4       double
 ZID        ZC3    ZH3       single
 ZID        ZC4    ZC5       single
 ZID        ZC5    ZC6       double
 ZID        ZC5    ZH5       single
 ZID        ZC6    ZH6       single