#
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
DAQ      DAQ 'O,P-DINITROPHENYL AMINOPROPYLDIPHOSP' non-polymer        41  29 M
#
data_comp_DAQ
#
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
 DAQ           BE     BE   .         0.000
 DAQ           F1     F    .         0.000
 DAQ           F2     F    .         0.000
 DAQ           F3     F    .         0.000
 DAQ           PB     P    .         0.000
 DAQ           OB1    O    .         0.000
 DAQ           OB2    O    .         0.000
 DAQ           OB3    O    .         0.000
 DAQ           OA3    O    .         0.000
 DAQ           PA     P    .         0.000
 DAQ           OA1    O    .         0.000
 DAQ           OA2    O    .         0.000
 DAQ           OE2    O    .         0.000
 DAQ           NA3    N    .         0.000
 DAQ           CA2    C    .         0.000
 DAQ           CA1    C    .         0.000
 DAQ           C1     C    .         0.000
 DAQ           C6     C    .         0.000
 DAQ           C5     C    .         0.000
 DAQ           C4     C    .         0.000
 DAQ           C3     C    .         0.000
 DAQ           C2     C    .         0.000
 DAQ           N4     N    .         0.000
 DAQ           O4A    O    .         0.000
 DAQ           O4B    O    .         0.000
 DAQ           N2     N    .         0.000
 DAQ           O2A    O    .         0.000
 DAQ           O2B    O    .         0.000
 DAQ           CA3    C    .         0.000
 DAQ           HOB2   H    .         0.000
 DAQ           HOA2   H    .         0.000
 DAQ           HA11   H    .         0.000
 DAQ           HA12   H    .         0.000
 DAQ           HA21   H    .         0.000
 DAQ           HA22   H    .         0.000
 DAQ           HA31   H    .         0.000
 DAQ           HA32   H    .         0.000
 DAQ           HNA1   H    .         0.000
 DAQ           H6     H    .         0.000
 DAQ           H5     H    .         0.000
 DAQ           H3     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
 DAQ        BE     F1        single
 DAQ        BE     F2        single
 DAQ        BE     F3        single
 DAQ        BE     OB3       single
 DAQ        PB     OB1       double
 DAQ        PB     OB2       single
 DAQ        PB     OB3       single
 DAQ        PB     OA3       single
 DAQ        OB2    HOB2      single
 DAQ        OA3    PA        single
 DAQ        PA     OA1       single
 DAQ        PA     OA2       double
 DAQ        PA     OE2       single
 DAQ        OA1    HOA2      single
 DAQ        OE2    CA1       single
 DAQ        NA3    CA3       single
 DAQ        NA3    C1        single
 DAQ        NA3    HNA1      single
 DAQ        CA2    CA3       single
 DAQ        CA2    CA1       single
 DAQ        CA2    HA21      single
 DAQ        CA2    HA22      single
 DAQ        CA1    HA11      single
 DAQ        CA1    HA12      single
 DAQ        C1     C6        double
 DAQ        C1     C2        single
 DAQ        C6     C5        single
 DAQ        C6     H6        single
 DAQ        C5     C4        double
 DAQ        C5     H5        single
 DAQ        C4     C3        single
 DAQ        C4     N4        single
 DAQ        C3     C2        double
 DAQ        C3     H3        single
 DAQ        C2     N2        single
 DAQ        N4     O4A       double
 DAQ        N4     O4B       double
 DAQ        N2     O2A       double
 DAQ        N2     O2B       double
 DAQ        CA3    HA31      single
 DAQ        CA3    HA32      single