global_
_lib_name         ?
_lib_version      ?
_lib_update       ?
# ------------------------------------------------
#
# ---   LIST OF MONOMERS ---
#
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
PNO      PNO 'P-METHYL AMINOPHOSPHINIC ACID       ' non-polymer        11   5 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_PNO
#
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
_chem_comp_atom.x
_chem_comp_atom.y
_chem_comp_atom.z
 PNO           O2     O    O         0.000      0.000    0.000    0.000
 PNO           P1     P    P         0.000     -1.245   -0.794    0.093
 PNO           C1     C    CH3       0.000     -1.916   -0.673    1.783
 PNO           H3     H    H         0.000     -2.125    0.340    2.011
 PNO           H2     H    H         0.000     -2.808   -1.240    1.853
 PNO           H1     H    H         0.000     -1.206   -1.048    2.475
 PNO           O1     O    OH1       0.000     -0.927   -2.334   -0.249
 PNO           HO1    H    H         0.000     -1.637   -2.989   -0.233
 PNO           N1     N    NH2       0.000     -2.373   -0.196   -1.002
 PNO           HN2    H    H         0.000     -2.161    0.640   -1.510
 PNO           HN1    H    H         0.000     -3.236   -0.686   -1.127
loop_
_chem_comp_tree.comp_id
_chem_comp_tree.atom_id
_chem_comp_tree.atom_back
_chem_comp_tree.atom_forward
_chem_comp_tree.connect_type
 PNO      O2     n/a    P1     START
 PNO      P1     O2     N1     .
 PNO      C1     P1     H1     .
 PNO      H3     C1     .      .
 PNO      H2     C1     .      .
 PNO      H1     C1     .      .
 PNO      O1     P1     HO1    .
 PNO      HO1    O1     .      .
 PNO      N1     P1     HN1    .
 PNO      HN2    N1     .      .
 PNO      HN1    N1     .      END
loop_
_chem_comp_bond.comp_id
_chem_comp_bond.atom_id_1
_chem_comp_bond.atom_id_2
_chem_comp_bond.type
_chem_comp_bond.value_dist
_chem_comp_bond.value_dist_esd
 PNO      N1     P1        single      1.750    0.020
 PNO      HN1    N1        single      1.010    0.020
 PNO      HN2    N1        single      1.010    0.020
 PNO      O1     P1        single      1.610    0.020
 PNO      P1     O2        double      1.480    0.020
 PNO      C1     P1        single      1.812    0.020
 PNO      HO1    O1        single      0.967    0.020
 PNO      H1     C1        single      1.059    0.020
 PNO      H2     C1        single      1.059    0.020
 PNO      H3     C1        single      1.059    0.020
loop_
_chem_comp_angle.comp_id
_chem_comp_angle.atom_id_1
_chem_comp_angle.atom_id_2
_chem_comp_angle.atom_id_3
_chem_comp_angle.value_angle
_chem_comp_angle.value_angle_esd
 PNO      O2     P1     C1      109.500    3.000
 PNO      O2     P1     O1      109.500    3.000
 PNO      O2     P1     N1      109.500    3.000
 PNO      C1     P1     O1      109.500    3.000
 PNO      C1     P1     N1      109.500    3.000
 PNO      O1     P1     N1      109.500    3.000
 PNO      P1     C1     H3      109.500    3.000
 PNO      P1     C1     H2      109.500    3.000
 PNO      P1     C1     H1      109.500    3.000
 PNO      H3     C1     H2      109.470    3.000
 PNO      H3     C1     H1      109.470    3.000
 PNO      H2     C1     H1      109.470    3.000
 PNO      P1     O1     HO1     120.000    3.000
 PNO      P1     N1     HN2     120.000    3.000
 PNO      P1     N1     HN1     120.000    3.000
 PNO      HN2    N1     HN1     120.000    3.000
loop_
_chem_comp_tor.comp_id
_chem_comp_tor.id
_chem_comp_tor.atom_id_1
_chem_comp_tor.atom_id_2
_chem_comp_tor.atom_id_3
_chem_comp_tor.atom_id_4
_chem_comp_tor.value_angle
_chem_comp_tor.value_angle_esd
_chem_comp_tor.period
 PNO      var_1    O2     P1     C1     H1       -60.028   20.000   1
 PNO      var_2    O2     P1     O1     HO1     -179.968   20.000   1
 PNO      var_3    O2     P1     N1     HN1      173.786   20.000   1
loop_
_chem_comp_plane_atom.comp_id
_chem_comp_plane_atom.plane_id
_chem_comp_plane_atom.atom_id
_chem_comp_plane_atom.dist_esd
 PNO      plan-1    N1        0.020
 PNO      plan-1    P1        0.000
 PNO      plan-1    HN1       0.000
 PNO      plan-1    HN2       0.000
# ------------------------------------------------------
