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
VXA      VXA 'METHYLPHOSPHONIC ACID ESTER GROUP   ' non-polymer         8   4 .
# ------------------------------------------------------
# ------------------------------------------------------
#
# --- DESCRIPTION OF MONOMERS ---
#
data_comp_VXA
#
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
 VXA           O2     O    OP       -1.000      0.000    0.000    0.000
 VXA           P1     P    P         0.000     -0.454   -0.286    1.429
 VXA           HP1    H    H         0.000      0.205   -1.412    1.887
 VXA           O1     O    OP        0.000     -0.303    0.825    2.464
 VXA           C1     C    CH3       0.000     -2.211   -0.644    1.333
 VXA           H13    H    H         0.000     -2.640   -0.088    0.542
 VXA           H12    H    H         0.000     -2.349   -1.678    1.156
 VXA           H11    H    H         0.000     -2.674   -0.376    2.246
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
 VXA      O2     n/a    P1     START
 VXA      P1     O2     C1     .
 VXA      HP1    P1     .      .
 VXA      O1     P1     .      .
 VXA      C1     P1     H11    .
 VXA      H13    C1     .      .
 VXA      H12    C1     .      .
 VXA      H11    C1     .      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
 VXA      O1     P1        deloc       1.510    0.020
 VXA      P1     O2        deloc       1.510    0.020
 VXA      C1     P1        single      1.812    0.020
 VXA      H11    C1        single      1.059    0.020
 VXA      H12    C1        single      1.059    0.020
 VXA      H13    C1        single      1.059    0.020
 VXA      HP1    P1        single      1.383    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
 VXA      O2     P1     HP1     109.500    3.000
 VXA      O2     P1     O1      119.900    3.000
 VXA      O2     P1     C1      109.500    3.000
 VXA      HP1    P1     O1      109.500    3.000
 VXA      HP1    P1     C1      109.500    3.000
 VXA      O1     P1     C1      109.500    3.000
 VXA      P1     C1     H13     109.500    3.000
 VXA      P1     C1     H12     109.500    3.000
 VXA      P1     C1     H11     109.500    3.000
 VXA      H13    C1     H12     109.470    3.000
 VXA      H13    C1     H11     109.470    3.000
 VXA      H12    C1     H11     109.470    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
 VXA      var_1    O2     P1     C1     H11     -151.742   20.000   1
# ------------------------------------------------------
