#
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
PLA      PLA '2-[(3-HYDROXY-2-METHYL-5-PHOSPHONOOX' non-polymer        44  25 M
#
data_comp_PLA
#
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
 PLA           N1     N    .         0.000
 PLA           C2     C    .         0.000
 PLA           C2A    C    .         0.000
 PLA           C3     C    .         0.000
 PLA           O3     O    .         0.000
 PLA           C4     C    .         0.000
 PLA           C4A    C    .         0.000
 PLA           C5     C    .         0.000
 PLA           C6     C    .         0.000
 PLA           C5A    C    .         0.000
 PLA           O4P    O    .         0.000
 PLA           P      P    .         0.000
 PLA           O1P    O    .         0.000
 PLA           O2P    O    .         0.000
 PLA           O3P    O    .         0.000
 PLA           N      N    .         0.000
 PLA           CA     C    .         0.000
 PLA           CB1    C    .         0.000
 PLA           CB2    C    .         0.000
 PLA           CG     C    .         0.000
 PLA           OD1    O    .         0.000
 PLA           OD2    O    .         0.000
 PLA           C      C    .         0.000
 PLA           O      O    .         0.000
 PLA           OXT    O    .         0.000
 PLA           H2A1   H    .         0.000
 PLA           H2A2   H    .         0.000
 PLA           H2A3   H    .         0.000
 PLA           HO3    H    .         0.000
 PLA           H4A1   H    .         0.000
 PLA           H4A2   H    .         0.000
 PLA           H5A1   H    .         0.000
 PLA           H5A2   H    .         0.000
 PLA           H6     H    .         0.000
 PLA           HOP2   H    .         0.000
 PLA           HOP3   H    .         0.000
 PLA           HN     H    .         0.000
 PLA           HB11   H    .         0.000
 PLA           HB12   H    .         0.000
 PLA           HB21   H    .         0.000
 PLA           HB22   H    .         0.000
 PLA           HB23   H    .         0.000
 PLA           HOD    H    .         0.000
 PLA           HXT    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
 PLA        N1     C2        double
 PLA        N1     C6        single
 PLA        C2     C2A       single
 PLA        C2     C3        single
 PLA        C2A    H2A1      single
 PLA        C2A    H2A2      single
 PLA        C2A    H2A3      single
 PLA        C3     O3        single
 PLA        C3     C4        double
 PLA        O3     HO3       single
 PLA        C4     C4A       single
 PLA        C4     C5        single
 PLA        C4A    N         single
 PLA        C4A    H4A1      single
 PLA        C4A    H4A2      single
 PLA        C5     C6        double
 PLA        C5     C5A       single
 PLA        C6     H6        single
 PLA        C5A    O4P       single
 PLA        C5A    H5A1      single
 PLA        C5A    H5A2      single
 PLA        O4P    P         single
 PLA        P      O1P       double
 PLA        P      O2P       single
 PLA        P      O3P       single
 PLA        O2P    HOP2      single
 PLA        O3P    HOP3      single
 PLA        N      CA        single
 PLA        N      HN        single
 PLA        CA     CB1       single
 PLA        CA     C         single
 PLA        CA     CB2       single
 PLA        CB1    CG        single
 PLA        CB1    HB11      single
 PLA        CB1    HB12      single
 PLA        CB2    HB21      single
 PLA        CB2    HB22      single
 PLA        CB2    HB23      single
 PLA        CG     OD1       double
 PLA        CG     OD2       single
 PLA        OD2    HOD       single
 PLA        C      O         double
 PLA        C      OXT       single
 PLA        OXT    HXT       single