#
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
MPL      MPL 'N-METHYL-PYRIDOXAL-5'-PHOSPHATE     ' non-polymer        30  17 M
#
data_comp_MPL
#
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
 MPL           P      P    .         0.000
 MPL           O1P    O    .         0.000
 MPL           O2P    O    .         0.000
 MPL           O3P    O    .         0.000
 MPL           O4P    O    .         0.000
 MPL           C5A    C    .         0.000
 MPL           C5     C    .         0.000
 MPL           N1     N    .         1.000
 MPL           C1     C    .         0.000
 MPL           C6     C    .         0.000
 MPL           C2     C    .         0.000
 MPL           C2A    C    .         0.000
 MPL           C3     C    .         0.000
 MPL           O3     O    .         0.000
 MPL           C4     C    .         0.000
 MPL           C4A    C    .         0.000
 MPL           O      O    .         0.000
# MPL           HOP2   H    .         0.000
# MPL           HOP3   H    .         0.000
 MPL           H51    H    .         0.000
 MPL           H52    H    .         0.000
 MPL           H11    H    .         0.000
 MPL           H12    H    .         0.000
 MPL           H13    H    .         0.000
 MPL           H6     H    .         0.000
 MPL           H21    H    .         0.000
 MPL           H22    H    .         0.000
 MPL           H23    H    .         0.000
 MPL           HO3    H    .         0.000
 MPL           H      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
 MPL        P      O1P       double
 MPL        P      O2P       single
 MPL        P      O3P       single
 MPL        P      O4P       single
# MPL        O2P    HOP2      single
# MPL        O3P    HOP3      single
 MPL        O4P    C5A       single
 MPL        C5A    C5        single
 MPL        C5A    H51       single
 MPL        C5A    H52       single
 MPL        C5     C4        double
 MPL        C5     C6        single
 MPL        N1     C1        single
 MPL        N1     C2        single
 MPL        N1     C6        double
 MPL        C1     H11       single
 MPL        C1     H12       single
 MPL        C1     H13       single
 MPL        C6     H6        single
 MPL        C2     C2A       single
 MPL        C2     C3        double
 MPL        C2A    H21       single
 MPL        C2A    H22       single
 MPL        C2A    H23       single
 MPL        C3     C4        single
 MPL        C3     O3        single
 MPL        O3     HO3       single
 MPL        C4     C4A       single
 MPL        C4A    O         double
 MPL        C4A    H         single
